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Sample records for crystals phase behavior

  1. Solid-Phase and Oscillating Solution Crystallization Behavior of (+)- and (-)-N-Methylephedrine.

    Science.gov (United States)

    Tulashie, Samuel Kofi; Polenske, Daniel; Seidel-Morgenstern, Andreas; Lorenz, Heike

    2016-11-01

    This work involves the study of the solid-phase and solution crystallization behavior of the N-methylephedrine enantiomers. A systematic investigation of the melt phase diagram of the enantiomeric N-methylephedrine system was performed considering polymorphism. Two monotropically related modifications of the enantiomer were found. Solubilities and the ternary solubility phase diagrams of N-methylephedrine enantiomers in 2 solvents [isopropanol:water, 1:3 (Vol) and (2R, 3R)-diethyl tartrate] were determined in the temperature ranges between 15°C and 25°C, and 25°C and 40°C, respectively. Preferential nucleation and crystallization experiments at higher supersaturation leading to an unusual oscillatory crystallization behavior as well as a successful preferential crystallization experiment at lower supersaturation are presented and discussed. Copyright © 2016. Published by Elsevier Inc.

  2. Unusual crystallization behavior in Ga-Sb phase change alloys

    Directory of Open Access Journals (Sweden)

    Magali Putero

    2013-12-01

    Full Text Available Combined in situ X-ray scattering techniques using synchrotron radiation were applied to investigate the crystallization behavior of Sb-rich Ga-Sb alloys. Measurements of the sheet resistance during heating indicated a reduced crystallization temperature with increased Sb content, which was confirmed by in situ X-ray diffraction. The electrical contrast increased with increasing Sb content and the resistivities in both the amorphous and crystalline phases decreased. It was found that by tuning the composition between Ga:Sb = 9:91 (in at.% and Ga:Sb = 45:55, the change in mass density upon crystallization changes from an increase in mass density which is typical for most phase change materials to a decrease in mass density. At the composition of Ga:Sb = 30:70, no mass density change is observed which should be very beneficial for phase change random access memory (PCRAM applications where a change in mass density during cycling is assumed to cause void formation and PCRAM device failure.

  3. Unifying the crystallization behavior of hexagonal and square crystals with the phase-field-crystal model

    International Nuclear Information System (INIS)

    Yang Tao; Chen Zheng; Zhang Jing; Wang Yongxin; Lu Yanli

    2016-01-01

    By employing the phase-field-crystal models, the atomic crystallization process of hexagonal and square crystals is investigated with the emphasis on the growth mechanism and morphological change. A unified regime describing the crystallization behavior of both crystals is obtained with the thermodynamic driving force varying. By increasing the driving force, both crystals (in the steady-state) transform from a faceted polygon to an apex-bulged polygon, and then into a symmetric dendrite. For the faceted polygon, the interface advances by a layer-by-layer (LL) mode while for the apex-bulged polygonal and the dendritic crystals, it first adopts the LL mode and then transits into the multi-layer (ML) mode in the later stage. In particular, a shift of the nucleation sites from the face center to the area around the crystal tips is detected in the early growth stage of both crystals and is rationalized in terms of the relation between the crystal size and the driving force distribution. Finally, a parameter characterizing the complex shape change of square crystal is introduced. (paper)

  4. Dielectric behavior and phase transition in [111]-oriented PIN–PMN–PT single crystals under dc bias

    Directory of Open Access Journals (Sweden)

    Yuhui Wan

    2014-01-01

    Full Text Available Temperature and electric field dependences of the dielectric behavior and phase transition for [111]-oriented 0.23PIN–0.52PMN–0.25PT (PIN-PMN–0.25PT and 0.24PIN–0.43PMN–0.33PT (PIN–PMN–0.33PT single crystals were investigated over a temperature range from -100°C to 250°C using field-heating (FH dielectric measurements. The transition phenomenon from ferroelectric microdomain to macrodomain was found in rhombohedra (R phase region in the single crystals under dc bias. This transition temperature Tf of micro-to-macrodomain is sensitive to dc bias and move quickly to lower temperature with increasing dc bias. The phase transition temperatures in the two single crystals shift toward high temperature and the dielectric permittivities at the phase transition temperature decrease with increasing dc bias. Especially, the phase transition peaks are gradually broad in PIN–PMN–0.33PT single crystal with the increasing dc bias. Effects of dc bias on the dielectric behavior and phase transition in PIN–PMN–PT single crystals are discussed.

  5. Crystallization characteristic and scaling behavior of germanium antimony thin films for phase change memory.

    Science.gov (United States)

    Wu, Weihua; Zhao, Zihan; Shen, Bo; Zhai, Jiwei; Song, Sannian; Song, Zhitang

    2018-04-19

    Amorphous Ge8Sb92 thin films with various thicknesses were deposited by magnetron sputtering. The crystallization kinetics and optical properties of the Ge8Sb92 thin films and related scaling effects were investigated by an in situ thermally induced method and an optical technique. With a decrease in film thickness, the crystallization temperature, crystallization activation energy and data retention ability increased significantly. The changed crystallization behavior may be ascribed to the smaller grain size and larger surface-to-volume ratio as the film thickness decreased. Regardless of whether the state was amorphous or crystalline, the film resistance increased remarkably as the film thickness decreased to 3 nm. The optical band gap calculated from the reflection spectra increases distinctly with a reduction in film thickness. X-ray diffraction patterns confirm that the scaling of the Ge8Sb92 thin film can inhibit the crystallization process and reduce the grain size. The values of exponent indices that were obtained indicate that the crystallization mechanism experiences a series of changes with scaling of the film thickness. The crystallization time was estimated to determine the scaling effect on the phase change speed. The scaling effect on the electrical switching performance of a phase change memory cell was also determined. The current-voltage and resistance-voltage characteristics indicate that phase change memory cells based on a thinner Ge8Sb92 film will exhibit a higher threshold voltage, lower RESET operational voltage and greater pulse width, which implies higher thermal stability, lower power consumption and relatively lower switching velocity.

  6. Crystallization of Trehalose in Frozen Solutions and its Phase Behavior during Drying

    Energy Technology Data Exchange (ETDEWEB)

    Sundaramurthi, Prakash; Patapoff, Thomas W.; Suryanarayanan, Raj (Genentech); (UMM)

    2015-02-19

    To study the crystallization of trehalose in frozen solutions and to understand the phase transitions during the entire freeze-drying cycle. Aqueous trehalose solution was cooled to -40 C in a custom-designed sample holder. The frozen solution was warmed to -18 C and annealed, and then dried in the sample chamber of the diffractometer. XRD patterns were continuously collected during cooling, annealing and drying. After cooling, hexagonal ice was the only crystalline phase observed. However, upon annealing, crystallization of trehalose dihydrate was evident. Seeding the frozen solution accelerated the solute crystallization. Thus, phase separation of the lyoprotectant was observed in frozen solutions. During drying, dehydration of trehalose dihydrate yielded a substantially amorphous anhydrous trehalose. Crystallization of trehalose, as trehalose dihydrate, was observed in frozen solutions. The dehydration of the crystalline trehalose dihydrate to substantially amorphous anhydrate occurred during drying. Therefore, analyzing the final lyophile will not reveal crystallization of the lyoprotectant during freeze-drying. The lyoprotectant crystallization can only become evident by continuous monitoring of the system during the entire freeze-drying cycle. In light of the phase separation of trehalose in frozen solutions, its ability to serve as a lyoprotectant warrants further investigation.

  7. Unconventional phase transitions in liquid crystals

    Science.gov (United States)

    Kats, E. I.

    2017-12-01

    According to classical textbooks on thermodynamics or statistical physics, there are only two types of phase transitions: continuous, or second-order, in which the latent heat L is zero, and first-order, in which L ≠ 0. Present-day textbooks and monographs also mention another, stand-alone type—the Berezinskii-Kosterlitz-Thouless transition, which exists only in two dimensions and shares some features with first- and second-order phase transitions. We discuss examples of non-conventional thermodynamic behavior (i.e., which is inconsistent with the theoretical phase transition paradigm now universally accepted). For phase transitions in smectic liquid crystals, mechanisms for nonconventional behavior are proposed and the predictions they imply are examined.

  8. Mitigating crystallization of saturated FAMES (fatty acid methyl esters) in biodiesel: 4. The phase behavior of 1,3-dioleoyl-2-palmitoyl glycerol – Methyl stearate binary system

    International Nuclear Information System (INIS)

    Mohanan, Athira; Bouzidi, Laziz; Narine, Suresh S.

    2016-01-01

    The present study examines the phase behavior of a model binary system made of OPO (1,3-dioleoyl-2-palmitoyl glycerol); a TAG (triacylglycerol) highly effective in depressing onset of crystallization of biodiesel, and MeS (methyl stearate); a prevalent saturated FAMEs (fatty acid methyl esters) in biodiesel. The thermal behavior, crystal structure and microstructure of the OPO/MeS mixtures were investigated with DSC (differential scanning calorimetry), XRD (X-ray diffraction) and PLM (polarized light microscope). The OPO/MeS system presented a phase diagram with peritectic and eutectic transitions. A simple thermodynamic modeling of the liquidus line indicated a relatively complex mixing behavior, and highlighted the prevailing effect of the peritectic compound on solubility. Different types of microstructures that were more or less influenced by MeS, OPO or/and compound microstructures were observed in the mixtures. They are associated with the crystal phases and the thermal transitions. Furthermore, MeS, OPO and compound crystal structures (monoclinic, orthorhombic and triclinic, respectively) served as templates for the crystal forms of the coexisting phases. The singularities in the liquidus line are attributed to chain length mismatch between the palmitic acid and the FAME (fatty acid methyl ester). The phase diagram achieved for OPO/MeS system is complete and can help in designing additive formulations to improve the cold flow behavior of biodiesel. - Highlights: • 1,3-dioleoyl-2-palmitoyl glycerol/methyl stearate (OPO/MeS) studied in detail. • Phase diagram with thermal transitions, polymorphism, microstructure achieved. • Phase trajectory singularities attributed to length mismatch of linear chains. • Mechanism for disruption of crystallization of biodiesel evidenced and explained.

  9. XRD and SEM study on the phase separation and crystallization behavior for an amorphous Cu+ conductor

    International Nuclear Information System (INIS)

    Yang Yuan; Hou Jianguo; Yu Wenhai

    1990-01-01

    The X-ray diffraction (XRD) and scanning electron microscopy (SEM) study was carried out for an amorphous Cu + conductor 0.4 CuI-0.3 Cu 2 O-0.3 P 2 O 5 with the simultaneous conductivity measurement in the isothermal heat treament process. The results indicated that the initial amorphous material was phase-separated. In the course of time the separated amorphous phase disappeared, the crystalline γ-CuI and Cu 2 P 2 O 7 formed in sequence and grew up gradually. The correlation of the phase separation and crystallization behavior with the conductivity anomaly confirmed again the interface effect between different phases in amorphous fast ionic conductors and its universality

  10. Picosecond laser pulse-driven crystallization behavior of SiSb phase change memory thin films

    International Nuclear Information System (INIS)

    Huang Huan; Li Simian; Zhai Fengxiao; Wang Yang; Lai Tianshu; Wu Yiqun; Gan Fuxi

    2011-01-01

    Highlights: → We reported crystallization dynamics of a novel SiSb phase change material. → We measured optical constants of as-deposited and irradiated SiSb areas. → Optical properties of as-deposited and irradiated SiSb thin film were compared. → Crystallization of irradiated SiSb was confirmed by using AFM and micro-Raman spectra. → The heat conduction effect of lower metal layer of multi-layer films was studied. - Abstract: Transient phase change crystallization process of SiSb phase change thin films under the irradiation of picosecond (ps) laser pulse was studied using time-resolved reflectivity measurements. The ps laser pulse-crystallized domains were characterized by atomic force microscope, Raman spectra and ellipsometrical spectra measurements. A reflectivity contrast of about 15% can be achieved by ps laser pulse-induced crystallization. A minimum crystallization time of 11 ns was achieved by a low-fluence single ps laser pulse after pre-irradiation. SiSb was shown to be very promising for fast phase change memory applications.

  11. Liquid Crystal Phases of Colloidal Platelets and their Use as Nanocomposite Templates

    NARCIS (Netherlands)

    Mourad, M.C.D.|info:eu-repo/dai/nl/304837563

    2009-01-01

    This thesis explores the gelation and liquid crystal phase behavior of colloidal dispersions of platelike particles as well as the use of such dispersions for the generation of nanocomposites. We report on the sol-gel, sol-glass and liquid crystal phase transitions of positively charged colloidal

  12. Vitrification and Crystallization of Phase-Separated Metallic Liquid

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    Yun Cheng

    2017-02-01

    Full Text Available The liquid–liquid phase separation (LLPS behavior of Fe50Cu50 melt from 3500 K to 300 K with different rapid quenching is investigated by molecular dynamics (MD simulation based on the embedded atom method (EAM. The liquid undergoes metastable phase separation by spinodal decomposition in the undercooled regime and subsequently solidifies into three different Fe-rich microstructures: the interconnected-type structure is kept in the glass and crystal at a higher cooling rate, while the Fe-rich droplets are found to crystalize at a lower cooling rate. During the crystallization process, only Fe-rich clusters can act as the solid nuclei. The twinning planes can be observed in the crystal and only the homogeneous atomic stacking shows mirror symmetry along the twinning boundary. Our present work provides atomic-scale understanding of LLPS melt during the cooling process.

  13. Crystallization behavior of nuclear waste forms

    International Nuclear Information System (INIS)

    Rusin, J.M.; Lokken, R.O.; May, R.P.; Wald, J.W.

    1981-09-01

    Several waste form options have been or are being developed for the immobilization of high-level wastes. The final selection of a waste form must take into consideration both waste form product as well as process factors. Crystallization behavior has an important role in nuclear waste form technology. For glass or vitreous waste forms, crystallization is generally controlled to a minimum by appropriate glass formulation and heat treatment schedules. With glass ceramic waste forms, crystallization is essential to convert glass products to highly crystalline waste forms with a minimum residual glass content. In the case of ceramic waste forms, additives and controlled sintering schedules are used to contain the radionuclides in specific tailored crystalline phases

  14. Fabrication of Phase-Change Polymer Colloidal Photonic Crystals

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    Tianyi Zhao

    2014-01-01

    Full Text Available This paper presents the preparation of phase-change polymer colloidal photonic crystals (PCs by assembling hollow latex spheres encapsulated with dodecanol for the first time. The monodispersed hollow latex spheres were obtained by phase reversion of monodispersed core-shell latex spheres in the n-hexane, which dissolves the PS core and retains the PMMA/PAA shell. The as-prepared phase-change colloidal PCs show stable phase-change behavior. This fabrication of phase-change colloidal PCs would be significant for PC’s applications in functional coatings and various optic devices.

  15. Mitigating crystallization of saturated FAMEs in biodiesel 6: The binary phase behavior of 1, 2-dioleoyl-3-stearoyl sn-glycerol – Methyl stearate

    International Nuclear Information System (INIS)

    Mohanan, Athira; Bouzidi, Laziz; Narine, Suresh S.

    2016-01-01

    The derivatives of vegetable oils with specific chemical structures, such as TAG (triacylglycerols) having mixed straight and kinked moieties, have proven very effective in lowering the crystallization of biodiesel. SOO (1, 2-dioleoyl-3-stearoyl sn-glycerol)/MeS (methyl stearate) is part of a series of studies of TAG/FAME (fatty acid methyl ester) binary model systems conducted to establish structure–function relationships of lipid-based cold flow improvers in biodiesel with a particular attention to the effect of molecular symmetry in contrast with a previously published study of the OSO (1, 3-dioleoyl-2-stearoyl sn-glycerol)/MeS binary system. The phase behavior of several SOO/MeS mixtures were investigated at different length scales with XRD (X-ray diffraction), DSC (differential scanning calorimetry) and PLM (polarized light microscope). A complete phase diagram including the transformation lines, crystal structure and microstructure was constructed. The solubility behavior was discussed using a simple thermodynamic model based on the Hildebrand equation and pair interactions. The asymmetric position of the oleic moieties of SOO was shown to be crucial in modifying the thermal transformation behavior of MeS. The findings may be used to design effective crystallization modifiers of biodiesel based on particular structural determinants, and underscores the importance of symmetry in such designs. - Highlights: • Effect of symmetry of triglyceride on biodiesel crystallization established. • Complete phase diagram of model triacylglycerol/biodiesel binary system achieved. • Correlation between thermal transitions, crystal structure and microstructure revealed. • Transformation points useful for improving the cold flow of biodiesel identified. • Necessary knowledge gathered to design effective biodiesel cold flow improvers.

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

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  17. Study of crystallization kinetics and structural relaxation behavior in phase separated Ag{sub 33}Ge{sub 17}Se{sub 50} glassy alloys

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Praveen, E-mail: prafiziks@gmail.com [Semiconductors Laboratory, Department of Physics, GND University, Amritsar 143005 (India); Nanotechnology Research Centre, DAV Institute of Engineering and Technology, Kabir Nagar, Jalandhar 144008 (India); Yannopoulos, S.N. [Foundation for Research and Technology Hellas, Institute of Chemical Engineering and High Temperature Chemical Processes (FORTH/ICE-HT), P.O. Box 1414, GR-26 504, Rio-Patras (Greece); Sathiaraj, T.S. [Department of Physics, University of Botswana, Gaborone (Botswana); Thangaraj, R., E-mail: rthangaraj@rediffmail.com [Semiconductors Laboratory, Department of Physics, GND University, Amritsar 143005 (India)

    2012-07-16

    We report on the crystallization processes and structure (crystal phases) of Ag{sub 33}Ge{sub 17}Se{sub 50} glassy alloy using differential scanning calorimetry and x-ray diffraction techniques, respectively. The devitrification that gives rise to the first exothermic peak results in the crystallization of Ag{sub 2}Se and Ag{sub 8}GeSe{sub 6} phases, while the growth of GeSe{sub 2} accompanied by the transformation of Ag{sub 8}GeSe{sub 6} to Ag{sub 2}Se phase occurs during the second crystallization process. Different theoretical models are used to elucidate various kinetic parameters for the crystallization transformation process in this phase separated system. With annealing below the glass transition temperature, an inverse behavior between the variation of the optical gap and the band tailing parameter is observed for the thermally evaporated films. These results are explained as the mixing of different clusters/species in the amorphous state and/or changes caused by structural relaxation of the glassy network for the thermally evaporated films. - Highlights: Black-Right-Pointing-Pointer Phase separation in Ag{sub 33}Ge{sub 17}Se{sub 50} glassy alloy bordering two glass forming regions. Black-Right-Pointing-Pointer Transformation of Ag{sub 8}GeSe{sub 6} {yields} Ag{sub 2}Se along with crystallization GeSe{sub 2} phase. Black-Right-Pointing-Pointer Elucidation of various kinetic parameters for the crystalline transformation. Black-Right-Pointing-Pointer Structural relaxation in thermally evaporated films by optical spectroscopy.

  18. Crystal-liquid-gas phase transitions and thermodynamic similarity

    CERN Document Server

    Skripov, Vladimir P; Schmelzer, Jurn W P

    2006-01-01

    Professor Skripov obtained worldwide recognition with his monograph ""Metastable liquids"", published in English by Wiley & Sons. Based upon this work and another monograph published only in Russia, this book investigates the behavior of melting line and the properties of the coexisting crystal and liquid phase of simple substances across a wide range of pressures, including metastable states of the coexisting phases. The authors derive new relations for the thermodynamic similarity for liquid-vapour phase transition, as well as describing solid-liquid, liquid-vapor and liquid-liquid phase tra

  19. Crystallization behavior of Zr62Al8Ni13Cu17 Metallic Glass

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    Jo Mi Sun

    2017-06-01

    Full Text Available The crystallization behavior has been studied in Zr62Al8Ni13Cu17 metallic glass alloy. The Zr62Al8Ni13Cu17 metallic glass crystallized through two steps. The fcc Zr2Ni phase transformed from the amorphous matrix during first crystallization and then the Zr2Ni and residual amorphous matrix transformed into a mixture of tetragonal Zr2Cu and hexagonal Zr6Al2Ni phases. Johnson-Mehl-Avrami analysis of isothermal transformation data suggested that the formation of crystalline phase is primary crystallization by diffusion-controlled growth.

  20. Mitigating crystallization of saturated FAMEs (fatty acid methyl esters) in biodiesel: 2. The phase behavior of 2-stearoyl diolein–methyl stearate binary system

    International Nuclear Information System (INIS)

    Baker, Mark; Bouzidi, Laziz; Narine, Suresh S.

    2015-01-01

    The phase behavior of a model binary system made of OSO (2-stearoyl diolein) and MeS (methyl stearate) was investigated with differential scanning calorimetry and X-ray diffraction. The study is part of a series of investigations of unconventional additives such as TAGs (triacylglycerols) and dimers of TAGs with a demonstrated potential to significantly alter the crystallization of biodiesel. The TAG (triacylglycerol) was found to be effective in depressing the crystallization onset of the FAME (fatty acid methyl ester) significantly even at low concentration. OSO was shown to affect the crystallization of the mixtures strongly, and to dramatically alter their polymorphism. The system's phase diagram involved marked transformation lines including eutectics and solid–solid transitions. The molecular interactions were evaluated using a simple thermodynamic model. A mechanism for disruption of crystallization was proposed to be dependent on the peculiar geometry of OSO: the “straight” stearic acid participates easily in the lamellar packing of the equally “straight” FAME, whilst its kinked oleic acids effectively halt additional saturated FAMEs from participating due to steric hindrances. The findings of the study indicate that judicious loadings of TAGs which would target biodiesel's saturated FAMEs will have a substantial beneficial effect on the low temperature performance of the fuel. - Highlights: • 2-Steroyl diolein/methyl stearate (OSO/MeS) binary system investigated comprehensively. • OSO/MeS mixtures presented very complex phase trajectories and behavior. • OSO alters crystallization at both nucleation and growth stages profoundly. • Mechanism for disruption of crystallization proposed and verified. • OSO and homologues formulations can be effectives cold flow additives for biodiesel

  1. Tunable photonic crystals with partial bandgaps from blue phase colloidal crystals and dielectric-doped blue phases.

    Science.gov (United States)

    Stimulak, Mitja; Ravnik, Miha

    2014-09-07

    Blue phase colloidal crystals and dielectric nanoparticle/polymer doped blue phases are demonstrated to combine multiple components with different symmetries in one photonic material, creating a photonic crystal with variable and micro-controllable photonic band structure. In this composite photonic material, one contribution to the band structure is determined by the 3D periodic birefringent orientational profile of the blue phases, whereas the second contribution emerges from the regular array of the colloidal particles or from the dielectric/nanoparticle-doped defect network. Using the planewave expansion method, optical photonic bands of the blue phase I and II colloidal crystals and related nanoparticle/polymer doped blue phases are calculated, and then compared to blue phases with no particles and to face-centred-cubic and body-centred-cubic colloidal crystals in isotropic background. We find opening of local band gaps at particular points of Brillouin zone for blue phase colloidal crystals, where there were none in blue phases without particles or dopants. Particle size and filling fraction of the blue phase defect network are demonstrated as parameters that can directly tune the optical bands and local band gaps. In the blue phase I colloidal crystal with an additionally doped defect network, interestingly, we find an indirect total band gap (with the exception of one point) at the entire edge of SC irreducible zone. Finally, this work demonstrates the role of combining multiple - by symmetry - differently organised components in one photonic crystal material, which offers a novel approach towards tunable soft matter photonic materials.

  2. Thermodynamically controlled crystallization of glucose pentaacetates from amorphous phase

    Energy Technology Data Exchange (ETDEWEB)

    Wlodarczyk, P., E-mail: patrykw@imn.gliwice.pl; Hawelek, L.; Hudecki, A.; Kolano-Burian, A. [Institute of Non-Ferrous Metals, ul. Sowinskiego 5, 44-100 Gliwice (Poland); Wlodarczyk, A. [Department of Animal Histology and Embryology, University of Silesia, ul. Bankowa 9, 40-007 Katowice (Poland)

    2016-08-15

    The α and β glucose pentaacetates are known sugar derivatives, which can be potentially used as stabilizers of amorphous phase of active ingredients of drugs (API). In the present work, crystallization behavior of equimolar mixture of α and β form in comparison to both pure anomers is revealed. It was shown that despite the same molecular interactions and similar molecular dynamics, crystallization from amorphous phase is significantly suppressed in equimolar mixture. Time dependent X-ray diffraction studies confirmed higher stability of the quenched amorphous equimolar mixture. Its tendency to crystallization is about 10 times lower than for pure anomers. Calorimetric studies revealed that the α and β anomers don’t form solid solutions and have eutectic point for x{sub α} = 0.625. Suppressed crystallization tendency in the mixture is probably caused by the altered thermodynamics of the system. The factors such as difference of free energy between crystalline and amorphous state or altered configurational entropy are probably responsible for the inhibitory effect.

  3. Shock and Microstructural Characterization of the α-ω Phase Transition in Titanium Crystals

    Science.gov (United States)

    Morrow, Benjamin M.; Rigg, Paulo A.; Jones, David R.; Addessio, Francis L.; Trujillo, Carl P.; Saavedra, Ramon A.; Martinez, Daniel T.; Cerreta, Ellen K.

    2017-12-01

    A multicrystal comprised of a small number of large crystals of high-purity titanium and a [0001] oriented high-purity single crystal titanium sample were shock loaded using gas gun plate impact experiments. Tests were performed at stresses above the α {-}ω phase transition stress (for high-purity polycrystalline specimens) to observe the behavior of oriented crystals under similar conditions. Post-mortem characterization of the shocked microstructure was conducted on the single crystal sample to measure textures, and quantify phases and twinning. The apparent activation of plastic and transformation mechanisms was dependent upon crystal orientation. Specifically, the [0001] crystal showed a higher Hugoniot elastic limit than the [10\\bar{1}0] or [3\\bar{1}\\bar{4}4] orientations. The slope of velocity as a function of time was lower in the [0001] orientation than the other orientations during plastic deformation, indicating sluggish transformation kinetics for the α to ω phase transition for the [0001] oriented crystal. Microtexture measurements of a recovered [0001] oriented single crystal revealed the presence of retained ω phase after unloading, with orientations of the constituent phase fractions indicative of the forward α → ω transition, rather than the reverse ω → α transition, suggesting that the material never achieved a state of 100% ω phase.

  4. Strain-induced alignment and phase behavior of blue phase liquid crystals confined to thin films.

    Science.gov (United States)

    Bukusoglu, Emre; Martinez-Gonzalez, Jose A; Wang, Xiaoguang; Zhou, Ye; de Pablo, Juan J; Abbott, Nicholas L

    2017-12-06

    We report on the influence of surface confinement on the phase behavior and strain-induced alignment of thin films of blue phase liquid crystals (BPs). Confining surfaces comprised of bare glass, dimethyloctadecyl [3-(trimethoxysilyl)propyl] ammonium chloride (DMOAP)-functionalized glass, or polyvinyl alcohol (PVA)-coated glass were used with or without mechanically rubbing to influence the azimuthal anchoring of the BPs. These experiments reveal that confinement can change the phase behavior of the BP films. For example, in experiments performed with rubbed-PVA surfaces, we measured the elastic strain of the BPs to change the isotropic-BPII phase boundary, suppressing formation of BPII for film thicknesses incommensurate with the BPII lattice. In addition, we observed strain-induced alignment of the BPs to exhibit a complex dependence on both the surface chemistry and azimuthal alignment of the BPs. For example, when using bare glass surfaces causing azimuthally degenerate and planar anchoring, BPI oriented with (110) planes of the unit cell parallel to the contacting surfaces for thicknesses below 3 μm but transitioned to an orientation with (200) planes aligned parallel to the contacting surfaces for thicknesses above 4 μm. In contrast, BPI aligned with (110) planes parallel to confining surfaces for all other thicknesses and surface treatments, including bare glass with uniform azimuthal alignment. Complementary simulations based on minimization of the total free energy (Landau-de Gennes formalism) confirmed a thickness-dependent reorientation due to strain of BPI unit cells within a window of surface anchoring energies and in the absence of uniform azimuthal alignment. In contrast to BPI, BPII did not exhibit thickness-dependent orientations but did exhibit orientations that were dependent on the surface chemistry, a result that was also captured in simulations by varying the anchoring energies. Overall, the results in this paper reveal that the orientations

  5. Polymorphic Behavior and Phase Transition of Poly(1-Butene and Its Copolymers

    Directory of Open Access Journals (Sweden)

    Rui Xin

    2018-05-01

    Full Text Available The properties of semicrystalline polymeric materials depend remarkably on their structures, especially for those exhibiting a polymorphic behavior. This offers an efficient way to tailor their properties through crystal engineering. For control of the crystal structure, and therefore the physical and mechanical properties, a full understanding of the polymorph selection of polymers under varied conditions is essential. This has stimulated a mass of research work on the polymorphic crystallization and related phase transformation. Considering that the isotactic poly(1-butene (iPBu exhibits pronounced polymorphs and complicated transition between different phases, the study on its crystallization and phase transformation has attracted considerable attention during the past decades. This review provides the context of the recent progresses made on the crystallization and phase transition behavior of iPBu. We first review the crystal structures of known crystal forms and then their formation conditions and influencing factors. In addition, the inevitable form II to form I spontaneous transition mechanism and the transformation kinetics is reviewed based on the existing research works, aiming for it to be useful for its processing in different phases and the further technical development of new methods for accelerating or even bypass its form II to form I transformation.

  6. In situ TEM investigation on the precipitation behavior of μ phase in Ni-base single crystal superalloys

    International Nuclear Information System (INIS)

    Gao, Shuang; Liu, Zhi-Quan; Li, Cai-Fu; Zhou, Yizhou; Jin, Tao

    2016-01-01

    The precipitation behavior of μ phase in Ni-base single crystal superalloys was investigated by in situ transmission electron microscopy (TEM). A layer-by-layer growth process with a ledge propagation mechanism was first observed during in situ precipitation. Three types of μ phase with different morphologies were found, which grow along [001] μ with (001) μ planar defects, [-111] μ with (1–12) μ planar defects, as well as both directions with mixed planar defects. High-resolution TEM image and established atomic models reveal a basic growth mechanism of μ phase by stacking on (001) μ plane and randomly forming coherent planar defects, while the nucleation of incoherent (1–12) μ planar defects at the early stage of precipitation plays an important role in affecting the basic growth mechanism. The frequent faults during the stacking process of the sub-unit layers within μ lattice should be responsible for the defect formation. -- Graphical abstract: In situ transmission electron microscopy (TEM) investigations reveal the layer-by-layer growth mechanism of μ phase precipitated in Ni-base single crystal superalloys. Three types of μ phase with different morphologies were formed at 1050 °C, which grows along [001] μ with (001) μ planar defects, [-111] μ with (1–12) μ planar defects, as well as both directions with mixed planar defects respectively. Formation of (001) μ micro-twin and stacking fault is the essential feature for precipitated μ phase, while nucleation of incoherent (1–12) μ planar defects plays an important role in changing growth method. Display Omitted

  7. Random crystal field effect on the magnetic and hysteresis behaviors of a spin-1 cylindrical nanowire

    Energy Technology Data Exchange (ETDEWEB)

    Zaim, N.; Zaim, A., E-mail: ah_zaim@yahoo.fr; Kerouad, M., E-mail: kerouad@fs-umi.ac.ma

    2017-02-15

    In this work, the magnetic behavior of the cylindrical nanowire, consisting of a ferromagnetic core of spin-1 atoms surrounded by a ferromagnetic shell of spin-1 atoms is studied in the presence of a random crystal field interaction. Based on Metropolis algorithm, the Monte Carlo simulation has been used to investigate the effects of the concentration of the random crystal field p, the crystal field D and the shell exchange interaction J{sub s} on the phase diagrams and the hysteresis behavior of the system. Some characteristic behaviors have been found, such as the first and second-order phase transitions joined by tricritical point for appropriate values of the system parameters, triple and isolated critical points can be also found. Depending on the Hamiltonian parameters, single, double and para hysteresis regions are explicitly determined. - Highlights: • Phase diagrams of a ferromagnetic nanowire are examined by the Monte Carlo simulation. • Different types of the phase diagrams are obtained. • The effect of the random crystal field on the hysteresis loops is studied. • Single, double and para hysteresis regions are explicitly determined.

  8. Phase-field crystal simulation facet and branch crystal growth

    Science.gov (United States)

    Chen, Zhi; Wang, Zhaoyang; Gu, Xinrui; Chen, Yufei; Hao, Limei; de Wit, Jos; Jin, Kexin

    2018-05-01

    Phase-field crystal model with one mode is introduced to describe morphological transition. The relationship between growth morphology and smooth density distribution was investigated. The results indicate that the pattern selection of dendrite growth is caused by the competition between interface energy anisotropy and interface kinetic anisotropy based on the 2D phase diagram. When the calculation time increases, the crystal grows to secondary dendrite at the dimensionless undercooling equal to - 0.4. Moreover, when noise is introduced in the growth progress, the symmetry is broken in the growth mode, and there becomes irregular fractal-like growth morphology. Furthermore, the single crystal shape develops into polycrystalline when the noise amplitude is large enough. When the dimensionless undercooling is less than - 0.3, the noise has a significant effect on the growth shape. In addition, the growth velocity of crystal near to liquid phase line is slow, while the shape far away from the liquid adapts to fast growth. Based on the simulation results, the method was proved to be effective, and it can easily obtain different crystal shapes by choosing the different points in 2D phase diagram.

  9. Plastic crystal phases of simple water models

    International Nuclear Information System (INIS)

    Aragones, J. L.; Vega, C.

    2009-01-01

    We report the appearance of two plastic crystal phases of water at high pressure and temperature using computer simulations. In one of them the oxygen atoms form a body centered cubic structure (bcc) and in the other they form a face centered cubic structure (fcc). In both cases the water molecules were able to rotate almost freely. We have found that the bcc plastic crystal transformed into a fcc plastic crystal via a Martensitic phase transition when heated at constant pressure. We have performed the characterization and localization in the phase diagram of these plastic crystal phases for the SPC/E, TIP4P, and TIP4P/2005 water potential models. For TIP4P/2005 model free energy calculations were carried out for the bcc plastic crystal and fcc plastic crystal using a new method (which is a slight variation of the Einstein crystal method) proposed for these types of solid. The initial coexistence points for the SPC/E and TIP4P models were obtained using Hamiltonian Gibbs–Duhem integration. For all of these models these two plastic crystal phases appear in the high pressure and temperature region of the phase diagram. It would be of interest to study if such plastic crystal phases do indeed exist for real water. This would shed some light on the question of whether these models can describe satisfactorily the high pressure part of the phase diagram of water, and if not, where and why they fail.

  10. Effect of Preparation Methods on Crystallization Behavior and Tensile Strength of Poly(vinylidene fluoride) Membranes.

    Science.gov (United States)

    Liu, Jie; Lu, Xiaolong; Wu, Chunrui

    2013-11-21

    Poly(vinylidene fluoride) (PVDF) membranes were prepared by non solvent induced phase separation (NIPS), melt spinning and the solution-cast method. The effect of preparation methods with different membrane formation mechanisms on crystallization behavior and tensile strength of PVDF membranes was investigated. Fourier transform infrared spectroscopy-attenuated total reflectance (FTIR-ATR) and X-ray diffraction (XRD) were employed to examine the crystal form of the surface layers and the overall membranes, respectively. Spherulite morphologies and thermal behavior of the membranes were studied by polarized light optical microscopy (PLO) and differential scanning calorimetry (DSC) separately. It was found that the crystallization behavior of PVDF membranes was closely related to the preparation methods. For membranes prepared by the NIPS method, the skin layers had a mixture of α and β phases, the overall membranes were predominantly α phase, and the total crystallinity was 60.0% with no spherulite. For melt spinning membranes, the surface layers also showed a mixture of α and β phases, the overall membranes were predominantly α phase. The total crystallinity was 48.7% with perfect spherulites. Whereas the crystallization behavior of solution-cast membranes was related to the evaporation temperature and the additive, when the evaporation temperature was 140 °C with a soluble additive in the dope solution, obvious spherulites appeared. The crystalline morphology of PVDF exerted a great influence on the tensile strength of the membranes, which was much higher with perfect spherulites.

  11. Monoolein lipid phases as incorporation and enrichment materials for membrane protein crystallization.

    Directory of Open Access Journals (Sweden)

    Ellen Wallace

    Full Text Available The crystallization of membrane proteins in amphiphile-rich materials such as lipidic cubic phases is an established methodology in many structural biology laboratories. The standard procedure employed with this methodology requires the generation of a highly viscous lipidic material by mixing lipid, for instance monoolein, with a solution of the detergent solubilized membrane protein. This preparation is often carried out with specialized mixing tools that allow handling of the highly viscous materials while minimizing dead volume to save precious membrane protein sample. The processes that occur during the initial mixing of the lipid with the membrane protein are not well understood. Here we show that the formation of the lipidic phases and the incorporation of the membrane protein into such materials can be separated experimentally. Specifically, we have investigated the effect of different initial monoolein-based lipid phase states on the crystallization behavior of the colored photosynthetic reaction center from Rhodobacter sphaeroides. We find that the detergent solubilized photosynthetic reaction center spontaneously inserts into and concentrates in the lipid matrix without any mixing, and that the initial lipid material phase state is irrelevant for productive crystallization. A substantial in-situ enrichment of the membrane protein to concentration levels that are otherwise unobtainable occurs in a thin layer on the surface of the lipidic material. These results have important practical applications and hence we suggest a simplified protocol for membrane protein crystallization within amphiphile rich materials, eliminating any specialized mixing tools to prepare crystallization experiments within lipidic cubic phases. Furthermore, by virtue of sampling a membrane protein concentration gradient within a single crystallization experiment, this crystallization technique is more robust and increases the efficiency of identifying productive

  12. Phase equilibrium, crystallization behavior and thermodynamic studies of (m-dinitrobenzene + vanillin) eutectic system

    International Nuclear Information System (INIS)

    Singh, Jayram; Singh, N.B.

    2015-01-01

    Graphical abstract: The phase diagram of (m-dinitrobenzene + vanillin) system. - Highlights: • (Thaw + melt) method has shown that (m-dinitrobenzene + vanillin) system forms simple eutectic type phase diagram. • Excess thermodynamic functions showed that eutectic mixture is non-ideal. • The flexural strength measurements have shown that in eutectic mixture, crystallization occurs in an ordered way. - Abstract: The phase diagram of (m-dinitrobenzene + vanillin) system has been studied by the thaw melt method and an eutectic type phase diagram was obtained. The linear velocities of crystallization of the parent components and the eutectic mixture were determined. The enthalpy of fusion of the components and the eutectic mixture were determined using the differential scanning calorimetric technique. Excess Gibbs energy, excess entropy, excess enthalpy of mixing, and interfacial energy have been calculated. FTIR spectroscopic studies and flexural strength measurements were also made. The results have shown that the eutectic is a non-ideal mixture of the two components. On the basis of Jackson’s roughness parameter, it is predicted that the eutectic has faceted morphology

  13. Unique Reversible Crystal-to-Crystal Phase Transition – Structural and Functional Properties of Fused Ladder Thienoarenes

    KAUST Repository

    Abe, Yuichiro

    2017-08-15

    Donor-acceptor type molecules based on fused ladder thienoarenes, indacenodithiophene (IDT) and dithienocyclopenta-thienothiophene (DTCTT), coupled with benzothiadiazole, are prepared and their solid-state structures are investigated. They display a rich variety of solid phases ranging from amorphous glass states to crystalline states, upon changes in the central aromatic core and side group structures. Most notably, the DTCTT-based derivatives showed reversible crystal-to-crystal phase transitions in heating and cooling cycles. Unlike what has been seen in π−conjugated molecules variable temperature XRD revealed that structural change occurs continuously during the transition. A columnar self-assembled structure with slip-stacked π−π interaction is proposed to be involved in the solid-state. This research provides the evidence of unique structural behavior of the DTCTT-based molecules through the detailed structural analysis. This unique structural transition paves the way for these materials to have self-healing of crystal defects, leading to improved optoelectronic properties.

  14. Unique Reversible Crystal-to-Crystal Phase Transition – Structural and Functional Properties of Fused Ladder Thienoarenes

    KAUST Repository

    Abe, Yuichiro; Savikhin, Victoria; Yin, Jun; Grimsdale, Andrew C.; Soci, Cesare; Toney, Michael F.; Lam, Yeng Ming

    2017-01-01

    Donor-acceptor type molecules based on fused ladder thienoarenes, indacenodithiophene (IDT) and dithienocyclopenta-thienothiophene (DTCTT), coupled with benzothiadiazole, are prepared and their solid-state structures are investigated. They display a rich variety of solid phases ranging from amorphous glass states to crystalline states, upon changes in the central aromatic core and side group structures. Most notably, the DTCTT-based derivatives showed reversible crystal-to-crystal phase transitions in heating and cooling cycles. Unlike what has been seen in π−conjugated molecules variable temperature XRD revealed that structural change occurs continuously during the transition. A columnar self-assembled structure with slip-stacked π−π interaction is proposed to be involved in the solid-state. This research provides the evidence of unique structural behavior of the DTCTT-based molecules through the detailed structural analysis. This unique structural transition paves the way for these materials to have self-healing of crystal defects, leading to improved optoelectronic properties.

  15. Pressure-induced phase transitions in organic molecular crystals: a combination of x-ray single-crystal and powder diffraction, raman and IR-spectroscopy

    International Nuclear Information System (INIS)

    Boldyreva, E V; Goryainov, S V; Seryotkin, Y V; Kolesnik, E N; Shakhtshneider, T P; Ivashevskaya, S N; Drebushchak, T N; Sowa, H; Ahsbahs, H; Chernyshev, V V; Dmitriev, V P

    2008-01-01

    The contribution summarizes the results of recent studies of phase transitions induced by high pressure in a number of molecular organic crystals, such as polymorphs of paracetamol, chlorpropamide, polymorphs of glycine, L- and DL-serine, β-alanine. The main attention is paid to the following topics: (1) Reversible / irreversible transformations; (2) Different behavior of single crystals / powders; (3) The role of pressure-transmitting liquid; (4) The role of the kinetic factors: phase transitions on decompression, or after a long storage at a selected pressure; (5) Isosymmetric phase transitions; (6) The role of the changes in the hydrogen bond networks / intramolecular conformational changes in the phase transitions; (7) Superstructures / nanostructures formed as a result of pressure-induced phase transitions

  16. Pressure-induced phase transitions in organic molecular crystals: a combination of x-ray single-crystal and powder diffraction, raman and IR-spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Boldyreva, E V; Goryainov, S V; Seryotkin, Y V; Kolesnik, E N; Shakhtshneider, T P; Ivashevskaya, S N; Drebushchak, T N [Research and Education Center ' Molecular Design and Ecologically Safe Technologies' , REC-008, Novosibirsk State University (Russian Federation); Sowa, H [Goettingen University (Germany); Ahsbahs, H; Chernyshev, V V [Marburg University (Germany); Dmitriev, V P [Swiss-Norwegian Beamline ESRF, Grenoble (France)], E-mail: boldyrev@nsu.ru

    2008-07-15

    The contribution summarizes the results of recent studies of phase transitions induced by high pressure in a number of molecular organic crystals, such as polymorphs of paracetamol, chlorpropamide, polymorphs of glycine, L- and DL-serine, {beta}-alanine. The main attention is paid to the following topics: (1) Reversible / irreversible transformations; (2) Different behavior of single crystals / powders; (3) The role of pressure-transmitting liquid; (4) The role of the kinetic factors: phase transitions on decompression, or after a long storage at a selected pressure; (5) Isosymmetric phase transitions; (6) The role of the changes in the hydrogen bond networks / intramolecular conformational changes in the phase transitions; (7) Superstructures / nanostructures formed as a result of pressure-induced phase transitions.

  17. Structural, vibrational and thermal characterization of phase transformation in L-histidinium bromide monohydrate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Moura, G.M. [Universidade Federal do Maranhão, CCSST, Imperatriz, MA, 65900-410 (Brazil); Universidade Federal do Sul e Sudeste do Pará, ICEN, Marabá, PA 68505-080 (Brazil); Carvalho, J.O. [Universidade Federal do Maranhão, CCSST, Imperatriz, MA, 65900-410 (Brazil); Instituto Federal do Tocantins, Araguaína, TO, 77.826-170 (Brazil); Silva, M.C.D.; Façanha Filho, P.F. [Universidade Federal do Maranhão, CCSST, Imperatriz, MA, 65900-410 (Brazil); Santos, A.O. dos, E-mail: adenilson1@gmail.com [Universidade Federal do Maranhão, CCSST, Imperatriz, MA, 65900-410 (Brazil)

    2015-09-01

    L-Histidinium bromide monohydrate (LHBr) single crystal is a nonlinear optical material. In this work the high temperature phase transformation and the thermal stability of single crystals of LHBr was investigated by X-ray diffraction, thermogravimetric analysis, differential thermal analysis, differential scanning calorimetry and Raman spectroscopy. The results showed the LHBr phase transformation of orthorhombic (P2{sub 1}2{sub 1}2{sub 1}) to monoclinic system (P 1 2 1) at 120 °C, with the lattice parameters a = 12.162(1) Å, b = 16.821(2) Å, c = 19.477(2) Å and β = 108.56(2)°. These techniques are complementary and confirm the structural phase transformation due to loss water of crystallization. - Highlights: • -histidinium bromide single crystal was grown by slow evaporation technique. • X-ray diffraction characterize the high-temperature phase transformation. • The structural phase transformation occur due to loss of water of crystallization. • The LHBr thermal expansion coefficients exhibit an anisotropic behavior.

  18. Application Of Empirical Phase Diagrams For Multidimensional Data Visualization Of High Throughput Microbatch Crystallization Experiments.

    Science.gov (United States)

    Klijn, Marieke E; Hubbuch, Jürgen

    2018-04-27

    Protein phase diagrams are a tool to investigate cause and consequence of solution conditions on protein phase behavior. The effects are scored according to aggregation morphologies such as crystals or amorphous precipitates. Solution conditions affect morphological features, such as crystal size, as well as kinetic features, such as crystal growth time. Common used data visualization techniques include individual line graphs or symbols-based phase diagrams. These techniques have limitations in terms of handling large datasets, comprehensiveness or completeness. To eliminate these limitations, morphological and kinetic features obtained from crystallization images generated with high throughput microbatch experiments have been visualized with radar charts in combination with the empirical phase diagram (EPD) method. Morphological features (crystal size, shape, and number, as well as precipitate size) and kinetic features (crystal and precipitate onset and growth time) are extracted for 768 solutions with varying chicken egg white lysozyme concentration, salt type, ionic strength and pH. Image-based aggregation morphology and kinetic features were compiled into a single and easily interpretable figure, thereby showing that the EPD method can support high throughput crystallization experiments in its data amount as well as its data complexity. Copyright © 2018. Published by Elsevier Inc.

  19. Crystallization Behavior of A Bulk Amorphous Mg62Cu26Y12 Alloy

    Science.gov (United States)

    Wu, Shyue-Sheng; Chin, Tsung-Shune; Su, Kuo-Chang

    1994-07-01

    The crystallization temperature, the associated activation energy and the crystallized structure of a bulk amorphous Mg62Cu26Y12 alloy with a diameter of 2.5 mm were studied. It possesses a one-step crystallization behavior. The crystallization reaction was found to be represented by: AM(MG62Cu26Y12)→Mg2Cu+MgY+CuY+Mg, ( Tx=188°C, Eac=134 kJ/mol) where AM represents the amorphous state, T x the crystallization temperature at an infinitesimal heating rate, and E ac the associated activation energy. The amount of crystalline phases were found to be Mg2Cu:MgY:CuY=76:17:7. The Mg phase is identifiable only by high resolution electron microscopy, not by X-ray diffraction. The crystallization leads to a sharp rise in electrical resistivity which is reversed to those of iron-based amorphous alloys.

  20. Crystallization behavior and controlling mechanism of iron-containing Si-C-N ceramics.

    Science.gov (United States)

    Francis, Adel; Ionescu, Emanuel; Fasel, Claudia; Riedel, Ralf

    2009-11-02

    The crystallization behavior and controlling mechanism of the Si-Fe-C-N system based on polymer-derived SiCN ceramic filled with iron metal powder has been studied. The composite preparation conditions allow the formation of a random distribution of metallic particles in the polymer matrix volume for the Si-C-N system. Pyrolysis of the composite material at 1100 degrees C indicates the presence of one crystalline phase Fe(3)Si. While the sample pyrolyzed at 1200 degrees C reveals the formation of both Fe(3)Si and Fe(5)Si(3) phases, a crystallization of beta-SiC is additionally observed by increasing the temperature up to 1300 degrees C. The propensity for the formation of SiC is due to the presence of Fe(5)Si(3), where a solid-liquid-solid (SLS) growth mechanism was suggested to occur. X-ray diffraction (XRD), scanning electron microscopy (SEM), differential thermal analysis (DTA), and thermal gravimetric analysis with mass spectroscopic detection (TGA-MS) were employed to investigate the crystallization behavior of the Si-Fe-C-N system.

  1. Large three-dimensional photonic crystals based on monocrystalline liquid crystal blue phases.

    Science.gov (United States)

    Chen, Chun-Wei; Hou, Chien-Tsung; Li, Cheng-Chang; Jau, Hung-Chang; Wang, Chun-Ta; Hong, Ching-Lang; Guo, Duan-Yi; Wang, Cheng-Yu; Chiang, Sheng-Ping; Bunning, Timothy J; Khoo, Iam-Choon; Lin, Tsung-Hsien

    2017-09-28

    Although there have been intense efforts to fabricate large three-dimensional photonic crystals in order to realize their full potential, the technologies developed so far are still beset with various material processing and cost issues. Conventional top-down fabrications are costly and time-consuming, whereas natural self-assembly and bottom-up fabrications often result in high defect density and limited dimensions. Here we report the fabrication of extraordinarily large monocrystalline photonic crystals by controlling the self-assembly processes which occur in unique phases of liquid crystals that exhibit three-dimensional photonic-crystalline properties called liquid-crystal blue phases. In particular, we have developed a gradient-temperature technique that enables three-dimensional photonic crystals to grow to lateral dimensions of ~1 cm (~30,000 of unit cells) and thickness of ~100 μm (~ 300 unit cells). These giant single crystals exhibit extraordinarily sharp photonic bandgaps with high reflectivity, long-range periodicity in all dimensions and well-defined lattice orientation.Conventional fabrication approaches for large-size three-dimensional photonic crystals are problematic. By properly controlling the self-assembly processes, the authors report the fabrication of monocrystalline blue phase liquid crystals that exhibit three-dimensional photonic-crystalline properties.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-06-21

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

  3. Amorphous Phase Mediated Crystallization: Fundamentals of Biomineralization

    Directory of Open Access Journals (Sweden)

    Wenjing Jin

    2018-01-01

    Full Text Available Many biomineralization systems start from transient amorphous precursor phases, but the exact crystallization pathways and mechanisms remain largely unknown. The study of a well-defined biomimetic crystallization system is key for elucidating the possible mechanisms of biomineralization and monitoring the detailed crystallization pathways. In this review, we focus on amorphous phase mediated crystallization (APMC pathways and their crystallization mechanisms in bio- and biomimetic-mineralization systems. The fundamental questions of biomineralization as well as the advantages and limitations of biomimetic model systems are discussed. This review could provide a full landscape of APMC systems for biomineralization and inspire new experiments aimed at some unresolved issues for understanding biomineralization.

  4. Relationships between molecular structure and kinetic and thermodynamic controls in lipid systems. Part III. Crystallization and phase behavior of 1-palmitoyl-2,3-stearoyl-sn-glycerol (PSS) and tristearoylglycerol (SSS) binary system.

    Science.gov (United States)

    Bouzidi, Laziz; Narine, Suresh S

    2012-01-01

    The phase behavior of 1-palmitoyl-2,3-distearoyl-sn-glycerol (PSS)/tristearoylglycerol (SSS) binary system was investigated in terms of polymorphism, crystallization and melting behavior, microstructure and solid fat content (SFC) using widely different constant cooling rates. Kinetic phase diagrams were experimentally determined from the DSC heating thermograms and analyzed using a thermodynamic model to account for non-ideality of mixing. The kinetic phase diagram presented a typical eutectic behavior with a eutectic point at the 0.5(PSS) mixture with a probable precipitation line from 0.5(PSS) to 1.0(PSS), regardless of the rate at which the sample was cooled. The eutectic temperature decreased only slightly with increasing cooling rate. PSS has a strong effect on the physical properties of the PSS-SSS mixtures. In fact, the overall phase behavior of the PSS-SSS binary system was determined, for a very large part, by the asymmetrical TAG. Moreover, PSS is a key driver of the high stability observed in crystal growth, polymorphism and phase development. Levels as low as 10% PSS, when cooled slowly, and 30% when cooled rapidly, were found to be sufficient to suppress the effect of thermal processing. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

  5. The Effect of Chain Structures on the Crystallization Behavior and Membrane Formation of Poly(Vinylidene Fluoride Copolymers

    Directory of Open Access Journals (Sweden)

    Wenzhong Ma

    2014-05-01

    Full Text Available The crystallization behaviors of two copolymers of PVDF were studied, and the effect of copolymerized chains on the crystallization behavior was investigated. The results indicated that both copolymers had a lowered crystallization temperature and crystallinity. The crystallization rate was improved by the copolymer with symmetrical units in PVDF chains, but hindered by asymmetrical units, compared with the neat PVDF. The symmetrical units in PVDF chains favored the β-crystals with fiber-like structures. According to the solubility parameter rule, methyl salicylate (MS can be chosen as a diluent for PVDF copolymers. Both diluted systems had liquid-liquid (L-L regions in the phase diagrams, which was due to the lowered crystallization temperature.

  6. Effect of wheel speed on the crystallization behavior of as-quenched Nd-Fe-B alloys

    Directory of Open Access Journals (Sweden)

    Kuo Men

    2016-02-01

    Full Text Available A series of alloys composed of Nd9Fe85Nb0.5B5.5 were prepared through rapid quenching by different wheel speeds. Nanocomposite was usually obtained by subjecting the as-quenched alloys to a crystallization annealing. The crystallization behavior was investigated by differential scanning calorimetry (DSC as the primary method. The results showed that the DSC curve of sample prepared at 15 m/s had only one exothermic peak at about 690 °C. When the wheel speed increased to 18-27 m/s, one more peak at 590 °C appeared. Moreover, the intensity of this new peak enhances while the original one at 690 °C declined as the speed increases within this range. When the speed further grew up to 30, 35, or 40 m/s , only the peak at 590 °C remained while the other disappeared. This could be ascribed to the different initial phase structures of the alloys, which were found to vary with the wheel speeds. As can be seen, with increasing the wheel speed, the contents of amorphous and metastable phase increased while Nd2Fe14B phase decreased. This change resulted in a huge effect on the crystallization behavior. We could deduce the relative content of each phase from the integral areas of peaks in DSC curves in different samples and figure out the phase transition in the crystallization. The results showed that the crystallization of samples prepared by relatively high speeds, which are almost amorphous initially, manifest as only one step, while those prepared by relatively low speeds showed two. Subsequently, we analyzed the crystallization process and interpreted it from the theory of energy barrier.

  7. Multiple topological phases in phononic crystals

    KAUST Repository

    Chen, Zeguo; Wu, Ying

    2017-01-01

    We report a new topological phononic crystal in a ring-waveguide acoustic system. In the previous reports on topological phononic crystals, there are two types of topological phases: quantum Hall phase and quantum spin Hall phase. A key point in achieving quantum Hall insulator is to break the time-reversal (TR) symmetry, and for quantum spin Hall insulator, the construction of pseudo-spin is necessary. We build such pseudo-spin states under particular crystalline symmetry (C-6v) and then break the degeneracy of the pseudo-spin states by introducing airflow to the ring. We study the topology evolution by changing both the geometric parameters of the unit cell and the strength of the applied airflow. We find that the system exhibits three phases: quantum spin Hall phase, conventional insulator phase and a new quantum anomalous Hall phase.

  8. Multiple topological phases in phononic crystals

    KAUST Repository

    Chen, Zeguo

    2017-11-20

    We report a new topological phononic crystal in a ring-waveguide acoustic system. In the previous reports on topological phononic crystals, there are two types of topological phases: quantum Hall phase and quantum spin Hall phase. A key point in achieving quantum Hall insulator is to break the time-reversal (TR) symmetry, and for quantum spin Hall insulator, the construction of pseudo-spin is necessary. We build such pseudo-spin states under particular crystalline symmetry (C-6v) and then break the degeneracy of the pseudo-spin states by introducing airflow to the ring. We study the topology evolution by changing both the geometric parameters of the unit cell and the strength of the applied airflow. We find that the system exhibits three phases: quantum spin Hall phase, conventional insulator phase and a new quantum anomalous Hall phase.

  9. Mixed-order phase transition in a colloidal crystal

    Science.gov (United States)

    Alert, Ricard; Tierno, Pietro; Casademunt, Jaume

    2017-12-01

    Mixed-order phase transitions display a discontinuity in the order parameter like first-order transitions yet feature critical behavior like second-order transitions. Such transitions have been predicted for a broad range of equilibrium and nonequilibrium systems, but their experimental observation has remained elusive. Here, we analytically predict and experimentally realize a mixed-order equilibrium phase transition. Specifically, a discontinuous solid-solid transition in a 2D crystal of paramagnetic colloidal particles is induced by a magnetic field H. At the transition field Hs, the energy landscape of the system becomes completely flat, which causes diverging fluctuations and correlation length ξ∝|H2-Hs2|-1/2. Mean-field critical exponents are predicted, since the upper critical dimension of the transition is du=2. Our colloidal system provides an experimental test bed to probe the unconventional properties of mixed-order phase transitions.

  10. Mixed-order phase transition in a colloidal crystal.

    Science.gov (United States)

    Alert, Ricard; Tierno, Pietro; Casademunt, Jaume

    2017-12-05

    Mixed-order phase transitions display a discontinuity in the order parameter like first-order transitions yet feature critical behavior like second-order transitions. Such transitions have been predicted for a broad range of equilibrium and nonequilibrium systems, but their experimental observation has remained elusive. Here, we analytically predict and experimentally realize a mixed-order equilibrium phase transition. Specifically, a discontinuous solid-solid transition in a 2D crystal of paramagnetic colloidal particles is induced by a magnetic field [Formula: see text] At the transition field [Formula: see text], the energy landscape of the system becomes completely flat, which causes diverging fluctuations and correlation length [Formula: see text] Mean-field critical exponents are predicted, since the upper critical dimension of the transition is [Formula: see text] Our colloidal system provides an experimental test bed to probe the unconventional properties of mixed-order phase transitions.

  11. Glass transition behavior and crystallization kinetics of Cu0.3(SSe20)0.7 chalcogenide glass

    International Nuclear Information System (INIS)

    Soliman, A.A.

    2005-01-01

    The glass transition behavior and crystallization kinetics of Cu 0.3 (SSe 20 ) 0.7 chalcogenide glass were investigated using differential scanning calorimetry (DSC), X-ray diffraction (XRD). Two crystalline phases (SSe 20 and Cu 2 Se) were identified after annealing the glass at 773 K for 24 h. The activation energy of the glass transition (E g ), the activation energy of crystallization (E c ), the Avrami exponent (n) and the dimensionality of growth (m) were determined. Results indicate that this glass crystallizes by a two-stage bulk crystallization process upon heating. The first transformation, in which SSe 20 precipitates from the amorphous matrix with a three-dimensional crystal growth. The second transformation, in which the residual amorphous phase transforms into Cu 2 Se compound with a two-dimensional crystal growth

  12. Synergistic promotion of polar phase crystallization of PVDF by ionic liquid with PEG segment

    Science.gov (United States)

    Xu, Pei; Fu, Weijia; Cui, Zhaopei; Ding, Yunsheng

    2018-06-01

    To investigate the effect of imidazolium ionic liquid with poly(ethylene glycol) segment (IL) on the polar phase crystallization behavior of poly(vinylidene fluoride) (PVDF), a series of PVDF/IL composites were prepared using solution-cast method. The crystallization peak temperature of PVDF composites and the growth speed of samples decrease with increasing of IL. The >CF2 groups in amorphous region are retained and >CF2 groups in crystalline region are liberated by the PEG long soft segments of IL. The intensity of peaks represented as α phase reduces, moreover polar phase content increases with increasing of IL. The interaction between the >CF2 and the imidazolium cation can induce the polar phase, and the interaction between the >CF2 and PEG soft segment can strengthen polar crystalline induction. PVDF/12IL composite can form big γ spherulite circled by β phase.

  13. Thermal profiles, crystallization behaviors and microstructure of diacylglycerol-enriched palm oil blends with diacylglycerol-enriched palm olein.

    Science.gov (United States)

    Xu, Yayuan; Zhao, Xiaoqing; Wang, Qiang; Peng, Zhen; Dong, Cao

    2016-07-01

    To elucidate the possible interaction mechanisms between DAG-enriched oils, this study investigated how mixtures of DAG-enriched palm-based oils influenced the phase behavior, thermal properties, crystallization behaviors and the microstructure in binary fat blends. DAG-enriched palm oil (PO-DAGE) was blended with DAG-enriched palm olein (POL-DAGE) in various percentages (0%, 10%, 30%, 50%, 70%, 90%, 100%). Based on the observation of iso-solid diagram and phase diagram, the binary mixture of PO-DAGE/POL-DAGE showed a better compatibility in comparison with their corresponding original blends. DSC thermal profiles exhibited that the melting and crystallization properties of PO-DAGE/POL-DAGE were distinctively different from corresponding original blends. Crystallization kinetics revealed that PO-DAGE/POL-DAGE blends displayed a rather high crystallization rate and exhibited no spherulitic crystal growth. From the results of polarized light micrographs, PO-DAGE/POL-DAGE blends showed more dense structure with very small needle-like crystals than PO/POL. X-ray diffraction evaluation revealed when POL-DAGE was added in high contents to PO-DAGE, above 30%, β-polymorph dominated, and the mount of β' forms crystals was decreasing. Copyright © 2016 Elsevier Ltd. All rights reserved.

  14. Effects of Polymeric Additives on the Crystallization and Release Behavior of Amorphous Ibuprofen

    Directory of Open Access Journals (Sweden)

    Su Yang Lee

    2013-01-01

    Full Text Available Some polymeric additives were studied to understand their effects on the amorphous phase of ibuprofen (IBU, used as a poorly water soluble pharmaceutical model compound. The amorphous IBU in bulk, as well as in nanopores (diameter ~24 nm of anodic aluminum oxide, was examined with the addition of poly(acrylic acid, poly(N-vinyl pyrrolidone, or poly(4-vinylphenol. Results of bulk crystallization showed that they were effective in limiting the crystal growth, while the nucleation of the crystalline phase in contact with water was nearly instantaneous in all cases. Poly(N-vinyl pyrrolidone, the most effective additive, was in specific interaction with IBU, as revealed by IR spectroscopy. The addition of the polymers was combined with the nanoscopic confinement to further stabilize the amorphous phase. Still, the IBU with addition of polymeric additives showed sustained release behavior. The current study suggested that the inhibition of the crystal nucleation was probably the most important factor to stabilize the amorphous phase and fully harness its high solubility.

  15. Charge Transport and Phase Behavior of Imidazolium-Based Ionic Liquid Crystals from Fully Atomistic Simulations.

    Science.gov (United States)

    Quevillon, Michael J; Whitmer, Jonathan K

    2018-01-02

    Ionic liquid crystals occupy an intriguing middle ground between room-temperature ionic liquids and mesostructured liquid crystals. Here, we examine a non-polarizable, fully atomistic model of the 1-alkyl-3-methylimidazolium nitrate family using molecular dynamics in the constant pressure-constant temperature ensemble. These materials exhibit a distinct "smectic" liquid phase, characterized by layers formed by the molecules, which separate the ionic and aliphatic moieties. In particular, we discuss the implications this layering may have for electrolyte applications.

  16. Crystallization behavior of Ge-doped eutectic Sb70Te30 films in optical disks

    International Nuclear Information System (INIS)

    Khulbe, Pramod K.; Hurst, Terril; Mansuripur, Masud; Horie, Michikazu

    2002-01-01

    We report laser-induced crystallization behavior of binary Sb-Te and ternary Ge-doped eutectic Sb70Te30 thin film samples in a typical quadrilayer stack as used in phase-change optical disk data storage. Several experiments have been conducted on a two-laser static tester in which one laser operating in pulse mode writes crystalline marks on amorphous film or amorphous marks on crystalline film, while the second laser operating at low-power cw mode simultaneously monitors the progress of the crystalline or amorphous mark formation in real time in terms of the reflectivity variation. The results of this study show that the crystallization kinetics of this class of film is strongly growth dominant, which is significantly different from the crystallization kinetics of stochiometric Ge-Sb-Te compositions. In Sb-Te and Ge-doped eutectic Sb70Te30 thin-film samples, the crystallization behavior of the two forms of amorphous states, namely, as-deposited amorphous state and melt-quenched amorphous state, remains approximately same. We have also presented experiments showing the effect of the variation of the Sb/Te ratio and Ge doping on the crystallization behavior of these films

  17. Detailed Investigation of the Structural, Thermal, and Electronic Properties of Gold Isocyanide Complexes with Mechano-Triggered Single-Crystal-to-Single-Crystal Phase Transitions.

    Science.gov (United States)

    Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Seki, Shu; Ito, Hajime

    2016-02-01

    , even with repeated trials. The present studies provide us with a variety of hitherto unknown insights into mechano-responsive molecular crystals, which help us to understand the phase transition behaviors upon mechanical stimulation and establish rational design principles. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Gamma-radiation and isotopic effect on the critical behavior in triglycine selenate crystals

    Science.gov (United States)

    Kassem, M. E.; Hamed, A. E.; Abulnasr, L.; Abboudy, S.

    1994-11-01

    Isotopic effects in pure and γ-irradiated triglycine selenate crystals were investigated using the specific heat ( Cp) technique. The obtained results showed an interesting dependence of the critical behavior of Cp on the deuterium content. With increasing content of deuterium, the character of the phase transition changed from a second order (γ-type) to a first order transition. After γ-irradiation, the behavior of Cp around the phase transition region was essentially affected. The transition temperature, Tc, decreased and Δ Cp depressed, and the transition became broad. It was noted that the effect of γ-irradiation is opposite to the isotopic effect.

  19. Phase field modeling of rapid crystallization in the phase-change material AIST

    Science.gov (United States)

    Tabatabaei, Fatemeh; Boussinot, Guillaume; Spatschek, Robert; Brener, Efim A.; Apel, Markus

    2017-07-01

    We carry out phase field modeling as a continuum simulation technique in order to study rapid crystallization processes in the phase-change material AIST (Ag4In3Sb67Te26). In particular, we simulate the spatio-temporal evolution of the crystallization of a molten area of the phase-change material embedded in a layer stack. The simulation model is adapted to the experimental conditions used for recent measurements of crystallization rates by a laser pulse technique. Simulations are performed for substrate temperatures close to the melting temperature of AIST down to low temperatures when an amorphous state is involved. The design of the phase field model using the thin interface limit allows us to retrieve the two limiting regimes of interface controlled (low temperatures) and thermal transport controlled (high temperatures) dynamics. Our simulations show that, generically, the crystallization velocity presents a maximum in the intermediate regime where both the interface mobility and the thermal transport, through the molten area as well as through the layer stack, are important. Simulations reveal the complex interplay of all different contributions. This suggests that the maximum switching velocity depends not only on material properties but also on the precise design of the thin film structure into which the phase-change material is embedded.

  20. On a phase field approach for martensitic transformations in a crystal plastic material at a loaded surface

    Science.gov (United States)

    Schmitt, Regina; Kuhn, Charlotte; Müller, Ralf

    2017-07-01

    A continuum phase field model for martensitic transformations is introduced, including crystal plasticity with different slip systems for the different phases. In a 2D setting, the transformation-induced eigenstrain is taken into account for two martensitic orientation variants. With aid of the model, the phase transition and its dependence on the volume change, crystal plastic material behavior, and the inheritance of plastic deformations from austenite to martensite are studied in detail. The numerical setup is motivated by the process of cryogenic turning. The resulting microstructure qualitatively coincides with an experimentally obtained martensite structure. For the numerical calculations, finite elements together with global and local implicit time integration scheme are employed.

  1. Crystallization of amorphous phase in niobium alloys with oxygen

    International Nuclear Information System (INIS)

    Dekanenko, V.M.; Samojlenko, Z.A.; Revyakin, A.V.

    1982-01-01

    Crystallization and subsequent phase transformations of amorphous phase during annealings in the system Nb-O are studied. It is shown that quenching from liquid state of niobium alloys with oxygen with a rate of 10 5 -10 6 K/s results in partial crystallization of the melt. Phase transition from amorphous to crystal state at 670 K in all probability takes place without the change of chemical composition. After crystallization the decomposition of oversaturated solid solution on the basis of NbO takes place with the separation of low- temperature modification, γ-Nb 2 O 5 . Niobium pentoxide of both modifications during prolong annealings at 770 K and short- time annealings higher 1070 K disappears completely [ru

  2. Translation-rotation coupling, phase transitions, and elastic phenomena in orientationally disordered crystals

    International Nuclear Information System (INIS)

    Lynden-Bell, R.M.; Michel, K.H.

    1994-01-01

    Many of the properties of orientationally disordered crystals are profoundly affected by the coupling (known as translation-rotation coupling) between translation displacements and molecular orientation. The consequences of translation-rotation coupling depend on molecular and crystal symmetry, and vary throughout the Brillouin zone. One result is an indirect coupling between the orientations of different molecules, which plays an important role in the order/disorder phase transition, especially in ionic orientationally disordered crystals. Translation-rotation coupling also leads to softening of elastic constants and affects phonon spectra. This article describes the theory of the coupling from the point of view of the microscopic Hamiltonian and the resulting Landau free energy. Considerable emphasis is placed on the restrictions due to symmetry as these are universal and can be used to help one's qualitative understanding of experimental observations. The application of the theory to phase transitions is described. The softening of elastic constants is discussed and shown to be universal. However, anomalies associated with the order/disorder phase transition are shown to be restricted to cases in which the symmetry of the order parameter satisfies certain conditions. Dynamic effects on phonon spectra are described and finally the recently observed dielectric behavior of ammonium compounds is discussed. Throughout the article examples from published experiments are used to illustrate the application of the theory including well known examples such as the alkali metal cyanides and more recently discovered orientationally disordered crystals such as the fullerite, C 60

  3. Sintering and crystallization behavior of CaMgSi2O6-NaFeSi2O6 based glass-ceramics

    International Nuclear Information System (INIS)

    Goel, Ashutosh; Kansal, Ishu; Ferrari, Anna Maria; Pascual, Maria J.; Barbieri, Luisa; Bondioli, Federica; Lancellotti, Isabella; Ribeiro, Manuel J.; Ferreira, Jose M. F.

    2009-01-01

    We report on the synthesis, sintering, and crystallization behaviors of a glass with a composition corresponding to 90 mol % CaMgSi 2 O 6 -10 mol % NaFeSi 2 O 6 . The investigated glass composition crystallized superficially immediately after casting of the melt and needs a high cooling rate (rapid quenching) in order to produce an amorphous glass. Differential thermal analysis and hot-stage microscopy were employed to investigate the glass forming ability, sintering behavior, relative nucleation rate, and crystallization behavior of the glass composition. The crystalline phase assemblage in the glass-ceramics was studied under nonisothermal heating conditions in the temperature range of 850-950 deg. C in both air and N 2 atmosphere. X-ray diffraction studies adjoined with the Rietveld-reference intensity ratio method were employed to quantify the amount of crystalline phases, while electron microscopy was used to shed some light on the microstructure of the resultant glass-ceramics. Well sintered glass-ceramics with diopside as the primary crystalline phase were obtained where the amount of diopside varied with the heating conditions.

  4. Molecular relaxation behavior and isothermal crystallization above glass transition temperature of amorphous hesperetin.

    Science.gov (United States)

    Shete, Ganesh; Khomane, Kailas S; Bansal, Arvind Kumar

    2014-01-01

    The purpose of this paper was to investigate the relaxation behavior of amorphous hesperetin (HRN), using dielectric spectroscopy, and assessment of its crystallization kinetics above glass transition temperature (Tg ). Amorphous HRN exhibited both local (β-) and global (α-) relaxations. β-Relaxation was observed below Tg , whereas α-relaxation prominently emerged above Tg . β-Relaxation was found to be of Johari-Goldstein type and was correlated with α-process by coupling model. Secondly, isothermal crystallization experiments were performed at 363 K (Tg + 16.5 K), 373 K (Tg + 26.5 K), and 383 K (Tg + 36.5 K). The kinetics of crystallization, obtained from the normalized dielectric strength, was modeled using the Avrami model. Havriliak-Negami (HN) shape parameters, αHN and αHN .βHN , were analyzed during the course of crystallization to understand the dynamics of amorphous phase during the emergence of crystallites. HN shape parameters indicated that long range (α-like) were motions affected to a greater extent than short range (β-like) motions during isothermal crystallization studies at all temperature conditions. The variable behavior of α-like motions at different isothermal crystallization temperatures was attributed to evolving crystallites with time and increase in electrical conductivity with temperature. © 2013 Wiley Periodicals, Inc. and the American Pharmacists Association.

  5. Gamma-radiation and isotopic effect on the critical behavior in triglycine selenate crystals

    International Nuclear Information System (INIS)

    Kassem, M.E.; Hamed, A.E.; Abulnasr, L.; Abboudy, S.

    1994-01-01

    Isotopic effects in pure and γ-irradiated triglycine selenate crystals were investigated using the specific heat (C p ) technique. The obtained results showed an interesting dependence of the critical behavior of C p on the deuterium content. With increasing content of deuterium, the character of the phase transition changed from a second order (λ-type) to a first order transition. After γ-irradiation, the behavior of C p around the phase transition region was essentially affected. The transition temperature, T c , decreased and ΔC p depressed, and the transition became broad. It was noted that the effect of γ-irradiation is opposite to the isotopic effect. (author)

  6. Crystallization kinetics of phase change materials

    Energy Technology Data Exchange (ETDEWEB)

    Klein, Michael; Sontheimer, Tobias; Wuttig, Matthias [I. Physikalisches Institut (1A), RWTH Aachen (Germany)

    2008-07-01

    Phase change materials are fascinating materials. They can be rapidly switched between two metastable states, the amorphous and crystalline phase, which show pronounced contrast in their optical and electrical properties. They are already widely used as the active layer in rewritable optical media and are expected to be used in the upcoming phase change random access memory (PRAM). Here we show measurements of the crystallization kinetics of chalcogenide materials that lead to a deeper understanding of these processes. This work focuses mainly on the Ge-Sb-Te system but also includes Ag-In-Te materials. The crystallization behaviour of these materials was investigated with an ex-situ annealing method employing the precise oven of a differential scanning calorimeter and imaging techniques employing atomic force microscopy and optical microscopy.

  7. Observation of Wigner crystal phase and ripplon-limited mobility behavior in monolayer CVD MoS2 with grain boundary

    Science.gov (United States)

    Chen, Jyun-Hong; Zhong, Yuan-Liang; Li, Lain-Jong; Chen, Chii-Dong

    2018-06-01

    Two-dimensional electron gas (2DEG) is crucial in condensed matter physics and is present on the surface of liquid helium and at the interface of semiconductors. Monolayer MoS2 of 2D materials also contains 2DEG in an atomic layer as a field effect transistor (FET) ultrathin channel. In this study, we synthesized double triangular MoS2 through a chemical vapor deposition method to obtain grain boundaries for forming a ripple structure in the FET channel. When the temperature was higher than approximately 175 K, the temperature dependence of the electron mobility μ was consistent with those in previous experiments and theoretical predictions. When the temperature was lower than approximately 175 K, the mobility behavior decreased with the temperature; this finding was also consistent with that of the previous experiments. We are the first research group to explain the decreasing mobility behavior by using the Wigner crystal phase and to discover the temperature independence of ripplon-limited mobility behavior at lower temperatures. Although these mobility behaviors have been studied on the surface of liquid helium through theories and experiments, they have not been previously analyzed in 2D materials and semiconductors. We are the first research group to report the similar temperature-dependent mobility behavior of the surface of liquid helium and the monolayer MoS2.

  8. Observation of Wigner crystal phase and ripplon-limited mobility behavior in monolayer CVD MoS2 with grain boundary

    KAUST Repository

    Chen, Jyun-Hong

    2018-03-12

    Two-dimensional electron gas (2DEG) is crucial in condensed matter physics and is present on the surface of liquid helium and at the interface of semiconductors. Monolayer MoS2 of 2D materials also contains 2DEG in an atomic layer as field effect transistor (FET) ultrathin channel. In this study, we synthesized double triangular MoS2 through a chemical vapor deposition method to obtain grain boundaries for forming a ripple structure in FET channel. When the temperature was higher than approximately 175 K, the temperature dependence of the electron mobility μ was consistent with those in previous experiments and theoretical predictions. When the temperature was lower than approximately 175 K, the mobility behavior decreased with the temperature; this finding was also consistent with that of the previous experiments. We are the first research group to explain the decreasing mobility behavior by using the Wigner crystal phase and to discover the temperature independence of ripplon-limited mobility behavior at lower temperatures. Although these mobility behaviors have been studied on the surface of liquid helium through theories and experiments, they have not previously analyzed in 2D materials and semiconductors. We are the first research group to report the similar temperature-dependent mobility behavior of the surface of liquid helium and the monolayer MoS2.

  9. Non-isothermal crystallization kinetics and phase transformation of Bi2O3-SiO2 glass-ceramics

    Directory of Open Access Journals (Sweden)

    Guo H.W.

    2011-01-01

    Full Text Available The Bi2O3-SiO2 (BS glass-ceramics were prepared by melt-quench technique, and the crystallization kinetics and phase transformation behavior were investigated in accordance with Kissinger and Johson-Mehl-Avrami equation, DSC, XRD and SEM. The results show that in the heat treatment process (or termed as re-crystallizing process Bi2SiO5 and Bi4Si3O12 crystals were found consequently. Respectively, the crystallization activation energies of the two crystals are Ep1=14.8kJ/mol and Ep2=34.1kJ/mol. And the average crystallization index of n1=1.73 and n2=1.38 suggested volume nucleation, one-dimensional growth and surface nucleation, one-dimensional growth from surface to the inside respectively. The meta-stable needle-like Bi2SiO5 crystals are easily to be transformed into stable prismatic Bi4Si3O12 crystals. By quenching the melt and hold in 850°C for 1h, the homogenous single Bi4Si3O12 crystals were found in the polycrystalline phase of the BS glassceramics system.

  10. Tricritical behavior in the diluted transverse spin-1 Ising model with a longitudinal crystal field

    International Nuclear Information System (INIS)

    Htoutou, K.; Oubelkacem, A.; Ainane, A.; Saber, M.

    2005-01-01

    The transverse spin-1 Ising model with a longitudinal crystal field exhibits a tricritical behavior. Within the effective field theory with a probability distribution technique that accounts for the self-spin correlations, we have studied the influence of site dilution on this behavior and have calculated the temperature-transverse field-longitudinal crystal field-concentration phase diagrams and determined, in particular, the influence of the concentration of magnetic atoms c on the tricritical behavior. We have found that the tricritical point appears for large values of the concentration c of magnetic atoms and disappears with the increase in dilution (small values of c). Results for square lattice are calculated numerically and some interesting results are obtained. In certain ranges of values of the strength of the longitudinal crystal field D/J when it becomes sufficiently negative, we found re-entrant phenomenon, which disappears with increase in the value of the strength of the transverse field

  11. Crystal growth within a phase change memory cell.

    Science.gov (United States)

    Sebastian, Abu; Le Gallo, Manuel; Krebs, Daniel

    2014-07-07

    In spite of the prominent role played by phase change materials in information technology, a detailed understanding of the central property of such materials, namely the phase change mechanism, is still lacking mostly because of difficulties associated with experimental measurements. Here, we measure the crystal growth velocity of a phase change material at both the nanometre length and the nanosecond timescale using phase-change memory cells. The material is studied in the technologically relevant melt-quenched phase and directly in the environment in which the phase change material is going to be used in the application. We present a consistent description of the temperature dependence of the crystal growth velocity in the glass and the super-cooled liquid up to the melting temperature.

  12. Tunable Crystal-to-Crystal Phase Transition in a Cadmium Halide Chain Polymer

    Directory of Open Access Journals (Sweden)

    Ulli Englert

    2011-07-01

    Full Text Available The chain polymer [{Cd(μ-X2py2}1∞] (X = Cl, Br; py = pyridine undergoes a fully reversible phase transition between a monoclinic low-temperature and an orthorhombic high-temperature phase. The transformation can be directly monitored in single crystals and can be confirmed for the bulk by powder diffraction. The transition temperature can be adjusted by tuning the composition of the mixed-halide phase: Transition temperatures between 175 K up to the decomposition of the material at ca. 350 K are accessible. Elemental analysis, ion chromatography and site occupancy refinements from single-crystal X-ray diffraction agree with respect to the stoichiometric composition of the samples.

  13. A stress-induced phase transition model for semi-crystallize shape memory polymer

    Science.gov (United States)

    Guo, Xiaogang; Zhou, Bo; Liu, Liwu; Liu, Yanju; Leng, Jinsong

    2014-03-01

    The developments of constitutive models for shape memory polymer (SMP) have been motivated by its increasing applications. During cooling or heating process, the phase transition which is a continuous time-dependent process happens in semi-crystallize SMP and the various individual phases form at different temperature and in different configuration. Then, the transformation between these phases occurred and shape memory effect will emerge. In addition, stress applied on SMP is an important factor for crystal melting during phase transition. In this theory, an ideal phase transition model considering stress or pre-strain is the key to describe the behaviors of shape memory effect. So a normal distributed model was established in this research to characterize the volume fraction of each phase in SMP during phase transition. Generally, the experiment results are partly backward (in heating process) or forward (in cooling process) compared with the ideal situation considering delay effect during phase transition. So, a correction on the normal distributed model is needed. Furthermore, a nonlinear relationship between stress and phase transition temperature Tg is also taken into account for establishing an accurately normal distributed phase transition model. Finally, the constitutive model which taking the stress as an influence factor on phase transition was also established. Compared with the other expressions, this new-type model possesses less parameter and is more accurate. For the sake of verifying the rationality and accuracy of new phase transition and constitutive model, the comparisons between the simulated and experimental results were carried out.

  14. The liquid protein phase in crystallization: a case study—intact immunoglobulins

    Science.gov (United States)

    Kuznetsov, Yurii G.; Malkin, Alexander J.; McPherson, Alexander

    2001-11-01

    A common observation by protein chemists has been the appearance, for many proteins in aqueous solutions, of oil like droplets, or in more extreme cases the formation of a second oil like phase. These may accompany the formation of precipitate in "salting out" or "salting in' procedures, but more commonly appear in place of any precipitate. Such phase separations also occur, with even greater frequency, in the presence of polymeric precipitants such as polyethyleneglycol (PEG). In general the appearance of a second liquid phase has been taken as indicative of protein aggregation, though an aggregate state distinctly different from that characteristic of amorphous precipitate. While the latter is thought to be composed of linear and branched assemblies, polymers of a sort, the oil phase suggests a more compact, three-dimensional, but fluid state. An important property of an alternate, fluid phase is that it can mediate transitions between other states, for example, between protein molecules free in solution and protein molecules immobilized in amorphous precipitate or crystals. The "liquid protein" phase can be readily observed in many crystallization experiments either prior to the appearance of visible crystals, or directly participating in the crystal growth process. In some cases the relationship between the liquid phase and developing crystals is intimate. Crystals grow directly from the liquid phase, or appear only after the visible formation of the liquid phase. We describe here our experience with a class of macromolecules, immunoglobulins, and particularly IDEC-151, an IgG specific for CD4 on human lymphocytes. This protein has been crystallized from a Jeffamine-LiSO 4 mother liquor and, its crystallization illustrates many of the features associated with the liquid protein, or protein rich phase.

  15. Gas-phase Crystallization of Titanium Dioxide Nanoparticles

    International Nuclear Information System (INIS)

    Ahonen, P.P.; Moisala, A.; Tapper, U.; Brown, D.P.; Jokiniemi, J.K.; Kauppinen, E.I.

    2002-01-01

    We have investigated the development of crystal morphology and phase in ultrafine titanium dioxide particles. The particles were produced by a droplet-to-particle method starting from propanolic titanium tetraisopropoxide solution, and calcined in a vertical aerosol reactor in air. Mobility size classified 40-nm diameter particles were conveyed to the aerosol reactor to investigate particle size changes at 20-1200 deg. C with 5-1-s residence time. In addition, polydisperse particles were used to study morphology and phase formation by electron microscopy. According to differential mobility analysis, the particle diameter was reduced to 21-23-nm at 600 deg. C and above. Precursor decomposition occurred between 20 deg. C and 500 deg. C. The increased mobility particle size at 700 deg. C and above was observed to coincide with irregular particles at 700 deg. C and 800 deg. C and faceted particles between 900 deg. C and 1200 deg. C, according to transmission electron microscopy. The faceted anatase particles were observed to approach a minimized surface energy by forming {101} and {001} crystallographic surfaces. Anatase phase was observed at 500-1200 deg. C and above 600 deg. C the particles were single crystals. Indications of minor rutile formation were observed at 1200 deg. C. The relatively stable anatase phase vs. temperature is attributed to the defect free structure of the observed particles and a lack of crystal-crystal attachment points

  16. Gamma-radiation and isotopic effect on the critical behavior in triglycine selenate crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kassem, M.E.; Hamed, A.E.; Abulnasr, L.; Abboudy, S. [Alexandria Univ. (Egypt). Dept. of Physics

    1994-11-01

    Isotopic effects in pure and {gamma}-irradiated triglycine selenate crystals were investigated using the specific heat (C{sub p}) technique. The obtained results showed an interesting dependence of the critical behavior of C{sub p} on the deuterium content. With increasing content of deuterium, the character of the phase transition changed from a second order ({lambda}-type) to a first order transition. After {gamma}-irradiation, the behavior of C{sub p} around the phase transition region was essentially affected. The transition temperature, T{sub c}, decreased and {Delta}C{sub p} depressed, and the transition became broad. It was noted that the effect of {gamma}-irradiation is opposite to the isotopic effect. (author).

  17. Lubricating and waxy esters, I. Synthesis, crystallization, and melt behavior of linear monoesters.

    Science.gov (United States)

    Bouzidi, Laziz; Li, Shaojun; Di Biase, Steve; Rizvi, Syed Q; Narine, Suresh S

    2012-01-01

    Four pure jojoba wax-like esters (JLEs), having carbon chain length of 36, 40 (two isomers) and 44, were prepared by Steglish esterification of fatty acids (or acid chlorides) with fatty alcohols at room temperature. Calorimetric and diffraction data was used to elucidate the phase behavior of the esters. The primary thermal parameters (crystallization and melting temperatures) obtained from the DSC of the symmetrical molecules correspond well with the carbon numbers of the JLEs. However, the data also suggests that carbon number is not the only factor since the symmetry of the molecule also plays a significant role in the phase behavior. Overall, the JLEs show very little polymorphic activity at the experimental conditions used, suggesting that they are likely to transform the same way during melting as well as crystallization, a characteristic which may be useful in designing new waxes and lubricants. The XRD data clearly show that the solid phase in all samples consists of a mixture of a β-phase and a β'-phase; fully distinguishable by their characteristic diffraction peaks. Subtle differences between the subcell patterns and phase development of the samples were observed. Different layering of the samples was also observed, understandably because of the chain length differences between the compounds. The long spacings were perfectly linearly proportional to the number of carbon atoms. The length of the ester layers with n carbon atoms can be calculated by a formula similar to that used for the layers in linear alkane molecules. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

  18. Dynamic vortex-phase diagram of MgB2 single crystals near the peak-effect region

    International Nuclear Information System (INIS)

    Kim, Heon-Jung; Lee, Hyun-Sook; Kang, Byeongwon; Chowdhury, P.; Kim, Kyung-Hee; Park, Min-Seok; Lee, Sung-Ik

    2006-01-01

    The dynamic vortex-phase diagram of MgB 2 single crystals has been constructed by using voltage noise characteristics. Between the onset (H on ) and the peak (H p ) magnetic fields, crossovers from a state with large noises to a noise-free state were observed with increasing current while above H p , a reverse behavior was found. We will discuss the dynamic vortex phase diagram and the possible origins of the crossovers

  19. Micro-Raman scattering and dielectric investigations of phase transitions behavior in the PbHf0.7Sn0.3O3 single crystal

    Science.gov (United States)

    Jankowska-Sumara, Irena; Ko, Jae-Hyeon; Podgórna, Maria; Oh, Soo Han; Majchrowski, Andrzej

    2017-09-01

    Raman light scattering was used to detect the sequence of transitions in a PbHf1-xSnxO3 (PHS) single crystal with x = 0.30 in a temperature range of 77-873 K. Changes of Raman spectra were observed in the vicinity of structural phase transitions: between the antiferroelectric (AFE1)-antiferroelectric (AFE2)—intermediate—paraelectric phases. Light scattering and dielectric investigations were used to find out the nature and sequence of the phase transition, as well as the large dielectric permittivity values measured at the phase transition, by searching for the soft-phonon-mode behavior. The experimentally recorded spectra were analyzed in terms of the damped-harmonic oscillator model for the phonon bands. It is demonstrated that the structural phase transformations in PHS can be considered as the result of softening of many modes, not only the ferroelectric one. It was also proved that locally broken symmetry effects are present at temperatures far above the Curie temperature and are connected with the softening of two optic modes of different nature.

  20. Crystallization characteristics of Mg-doped Ge2Sb2Te5 films for phase change memory applications

    International Nuclear Information System (INIS)

    Fu Jing; Shen Xiang; Nie Qiuhua; Wang Guoxiang; Wu Liangcai; Dai Shixun; Xu Tiefeng; Wang, R.P.

    2013-01-01

    Highlights: ► Mg-doped Ge 2 Sb 2 Te 5 (GST) phase change films with higher resistance and better thermal stability have been proposed. ► The increase of Mg content result in an enhancement in crystallization temperature, activation energy and electrical resistance. ► The proper Mg addition in GST can lead to a one-step crystallization process from amorphous to faced-centered cubic (fcc) phase. ► The formation of covalent Mg-Sb and Mg-Te bonds contribute to the enhancement thermal stability in Mg-doped GST films. - Abstract: Mg-doped Ge 2 Sb 2 Te 5 (GST) films with different Mg doping concentrations have been prepared, and their crystallization behavior, structure and electrical properties have been systematically investigated for phase-change memory applications. The results show that the addition of Mg into GST films could result in an enhancement in crystallization temperature, activation energy and electrical resistance compared with the conventional GST films, indicating that a good amorphous thermal stability. On the other hand, the proper Mg concentration ranging from 13.6 to 31.1 at.% can lead to a one-step crystallization process from amorphous to faced-centered cubic (fcc) phase and suppress the formation of the hexagonal close-packed (hcp) crystalline phase. X-ray photoelectron spectra (XPS) further confirm that the formation of covalent Mg-Sb and Mg-Te bonds contribute to the enhanced thermal stability in Mg-doped GST films.

  1. Dynamic phase transition in the kinetic spin-32 Blume-Capel model: Phase diagrams in the temperature and crystal-field interaction plane

    International Nuclear Information System (INIS)

    Keskin, Mustafa; Canko, Osman; Deviren, Bayram

    2007-01-01

    We analyze, within a mean-field approach, the stationary states of the kinetic spin-32 Blume-Capel (BC) model by the Glauber-type stochastic dynamics and subject to a time-dependent oscillating external magnetic field. The dynamic phase transition (DPT) points are obtained by investigating the behavior of the dynamic magnetization as a function of temperature and as well as calculating the Liapunov exponent. Phase diagrams are constructed in the temperature and crystal-field interaction plane. We find five fundamental types of phase diagrams for the different values of the reduced magnetic field amplitude parameter (h) in which they present a disordered, two ordered phases and the coexistences phase regions. The phase diagrams also exhibit a dynamic double-critical end point for 0 5.06

  2. Effects of elongation on the phase behavior of the Gay-Berne fluid

    Science.gov (United States)

    Brown, Julian T.; Allen, Michael P.; Martín del Río, Elvira; Miguel, Enrique De

    1998-06-01

    In this paper we present a computer simulation study of the phase behavior of the Gay-Berne liquid crystal model, concentrating on the effects of varying the molecular elongation κ. We study a range of length-to-width parameters 3moves to lower temperature until it falls below the I-SB coexistence line, around κ=3.4, where liquid-vapor coexistence proves hard to establish. The liquid-vapor critical point seems to be completely absent at κ=4.0. Another dramatic effect is the growth of a stable SA ``island'' in the phase diagram at elongations slightly above κ=3.0. The SA range extends to both higher and lower temperatures as κ is increased. Also as κ is increased, the I-N transition is seen to move to lower density (and pressure) at given temperature. The lowest temperature at which the nematic phase is stable does not vary dramatically with κ. On cooling, no SB-crystal transition can be identified in the equation of state for any of these elongations; we suggest that, on the basis of simulation evidence, SB and crystal are really the same phase for these models.

  3. Unusual Crystallization Behavior Close to the Glass Transition

    Science.gov (United States)

    Desgranges, Caroline; Delhommelle, Jerome

    2018-03-01

    Using molecular simulations, we shed light on the mechanism underlying crystal nucleation in metal alloys and unravel the interplay between crystal nucleation and glass transition, as the conditions of crystallization lie close to this transition. While decreasing the temperature of crystallization usually results in a lower free energy barrier, we find an unexpected reversal of behavior for glass-forming alloys as the temperature of crystallization approaches the glass transition. For this purpose, we simulate the crystallization process in two glass-forming Copper alloys, Ag6 Cu4 , which has a positive heat of mixing, and CuZr, characterized by a large negative heat of mixing. Our results allow us to identify this unusual behavior as directly correlated with a nonmonotonic temperature dependence for the formation energy of connected icosahedral structures, which are incompatible with crystalline order and impede the development of the crystal nucleus, leading to an unexpectedly larger free energy barrier at low temperature. This, in turn, promotes the formation of a predominantly closed-packed critical nucleus, with fewer defects, thereby suggesting a new way to control the structure of the crystal nucleus, which is of key importance in catalysis.

  4. Crystal phases of a glass-forming Lennard-Jones mixture

    International Nuclear Information System (INIS)

    Fernandez, Julian R.; Harrowell, Peter

    2003-01-01

    We compare the potential energy at zero temperature of a range of crystal structures for a glass-forming binary mixture of Lennard-Jones particles. The lowest-energy ordered state consists of coexisting phases of a single component face centered cubic structure and an equimolar cesium chloride structure. An infinite number of layered crystal structures are identified with energies close to this ground state. We demonstrate that the finite size increase of the energy of the coexisting crystal with incoherent interfaces is sufficient to destabilize this ordered phase in simulations of typical size. Two specific local coordination structures are identified as of possible structural significance in the amorphous state. We observe rapid crystal growth in the equimolar mixture

  5. Crystal Phase Quantum Well Emission with Digital Control

    DEFF Research Database (Denmark)

    Assali, S.; Laehnemann, J.; Vu, Thi Thu Trang

    2017-01-01

    One of the major challenges in the growth of quantum well and quantum dot heterostructures is the realization of atomically sharp interfaces. Nanowires provide a new opportunity to engineer the band structure as they facilitate the controlled switching of the crystal structure between the zinc......-blende (ZB) and wurtzite (WZ) phases. Such a crystal phase switching results in the formation of crystal phase quantum wells (CPQWs) and quantum dots (CPQDs). For GaP CPQWs, the inherent electric fields due to the discontinuity of the spontaneous polarization at the WZ/ZB junctions lead to the confinement...... of both types of charge carriers at the opposite interfaces of the WZ/ZB/WZ structure. This confinement leads to a novel type of transition across a ZB flat plate barrier. Here, we show digital tuning of the visible emission of WZ/ZB/WZ CPQWs in a GaP nanowire by changing the thickness of the ZB barrier...

  6. Particles at fluid-fluid interfaces: A new Navier-Stokes-Cahn-Hilliard surface- phase-field-crystal model.

    Science.gov (United States)

    Aland, Sebastian; Lowengrub, John; Voigt, Axel

    2012-10-01

    Colloid particles that are partially wetted by two immiscible fluids can become confined to fluid-fluid interfaces. At sufficiently high volume fractions, the colloids may jam and the interface may crystallize. The fluids together with the interfacial colloids form an emulsion with interesting material properties and offer an important route to new soft materials. A promising approach to simulate these emulsions was presented in Aland et al. [Phys. Fluids 23, 062103 (2011)], where a Navier-Stokes-Cahn-Hilliard model for the macroscopic two-phase fluid system was combined with a surface phase-field-crystal model for the microscopic colloidal particles along the interface. Unfortunately this model leads to spurious velocities which require very fine spatial and temporal resolutions to accurately and stably simulate. In this paper we develop an improved Navier-Stokes-Cahn-Hilliard-surface phase-field-crystal model based on the principles of mass conservation and thermodynamic consistency. To validate our approach, we derive a sharp interface model and show agreement with the improved diffuse interface model. Using simple flow configurations, we show that the new model has much better properties and does not lead to spurious velocities. Finally, we demonstrate the solid-like behavior of the crystallized interface by simulating the fall of a solid ball through a colloid-laden multiphase fluid.

  7. Electrical properties and features of the crystallization behaviour and the phase morphology of polyethylene blends

    International Nuclear Information System (INIS)

    Kolesov, I.S.; Radusch, H.-J.; Kolesov, S.N.

    1999-01-01

    It was discovered that polyethylene blends show a typical concentration dependence of the specific electrical resistance and the electrical strength measured by the surge voltage method. The concentration dependencies show two local maxima at definite blend compositions (ω LDPE = 0,2 to 0,4 and 0,7 to 0,8). The results of investigation of the melt and crystallization behavior as well as of the supermolecular structure of these blends point out that the changes caused by mixing in topology and packaging density of the inter-phases between the phases and crystallites have an influence on the electrical properties of the polyethylene blends in correspondence to the composition. The changed structure-property relationships are caused essentially by a possible co-crystallization of the components and by the interactions at separate seeds formation. (orig.)

  8. Zak phase induced multiband waveguide by two-dimensional photonic crystals.

    Science.gov (United States)

    Yang, Yuting; Xu, Tao; Xu, Yun Fei; Hang, Zhi Hong

    2017-08-15

    Interface states in photonic crystals provide efficient approaches to control the flow of light. Photonic Zak phase determines the bulk band properties of photonic crystals, and, by assembling two photonic crystals with different bulk band properties together, deterministic interface states can be realized. By translating each unit cell of a photonic crystal by half the lattice constant, another photonic crystal with identical common gaps but a different Zak phase at each photonic band can be created. By assembling these two photonic crystals together, multiband waveguide can thus be easily created and then experimentally characterized. Our experimental results have good agreement with numerical simulations, and the propagation properties of these measured interface states indicate that this new type of interface state will be a good candidate for future applications of optical communications.

  9. The crystal structure and the phase transitions of pyridinium trifluoromethanesulfonate

    International Nuclear Information System (INIS)

    Jesariew, Dominik; Ilczyszyn, Maria M; Pietraszko, Adam

    2014-01-01

    The calorimetric and optical studies and the structural properties of pyridinium trifluoromethanesulfonate (abbreviated as PyHOTf) are reported. A sequence of four fully reversible solid–solid phase transitions, at 223.0, 309.0, 359.9 and 394.3 K, has been discovered. The phase transition sequence was confirmed by x-ray diffraction data. The crystal structures of three phases (V, IV and III) have been determined from the single crystal x-ray diffraction data. Structural properties of the high temperature phases are characterized using powder x-ray diffraction data measured in the 290–425 K temperature range. The structural changes triggered by the temperature change are discussed in relation to the phase transitions. Two low temperature phases (V and IV) belong to the P4 3 2 1 2 space group of the tetragonal system. The intermediate phases (III and II) are monoclinic and the prototype high temperature phase (I) is a pseudo-cubic (tetragonal) one. The low temperature phases (V and IV) are well ordered. The crystal structure of intermediate (III and II) and prototype (I) phases are characterized by high disorder of the pyridinium cations and triflate anions. (papers)

  10. Valley Topological Phases in Bilayer Sonic Crystals

    Science.gov (United States)

    Lu, Jiuyang; Qiu, Chunyin; Deng, Weiyin; Huang, Xueqin; Li, Feng; Zhang, Fan; Chen, Shuqi; Liu, Zhengyou

    2018-03-01

    Recently, the topological physics in artificial crystals for classical waves has become an emerging research area. In this Letter, we propose a unique bilayer design of sonic crystals that are constructed by two layers of coupled hexagonal array of triangular scatterers. Assisted by the additional layer degree of freedom, a rich topological phase diagram is achieved by simply rotating scatterers in both layers. Under a unified theoretical framework, two kinds of valley-projected topological acoustic insulators are distinguished analytically, i.e., the layer-mixed and layer-polarized topological valley Hall phases, respectively. The theory is evidently confirmed by our numerical and experimental observations of the nontrivial edge states that propagate along the interfaces separating different topological phases. Various applications such as sound communications in integrated devices can be anticipated by the intriguing acoustic edge states enriched by the layer information.

  11. Crystallization, X-ray diffraction analysis and SIRAS/molecular-replacenent phasing of three crystal forms of Anabaena sensory rhodopsin transducer

    International Nuclear Information System (INIS)

    Vogeley, Lutz; Luecke, Hartmut

    2006-01-01

    Crystals of Anabaena sensory rhodopsin transducer, the transducer for the cyanobacterial photosensor Anabaena sensory rhodopsin, obtained in the space groups P4, C2 and P2 1 2 1 2 1 diffract to 1.8, 2.1 and 2.0 Å, respectively. Phases for these crystal forms were obtained by SIRAS phasing using an iodide quick-soak derivative (P4) and molecular replacement (C2 and P2 1 2 1 2 1 ). Anabaena sensory rhodopsin transducer (ASRT) is a 14.7 kDa soluble signaling protein associated with the membrane-embedded light receptor Anabaena sensory rhodopsin (ASR) from Anabaena sp., a freshwater cyanobacterium. Crystals of ASRT were obtained in three different space groups, P4, C2 and P2 1 2 1 2 1 , which diffract to 1.8, 2.1 and 2.0 Å, respectively. Phases for one of these crystal forms (P4) were obtained by SIRAS phasing using an iodide quick-soak derivative and a partial model was built. Phases for the remaining crystal forms were obtained by molecular replacement using the partial model from the P4 crystal form

  12. Study of the phenomena of crystallization of paraffin in the fluid-dynamic behavior of paraffinic crude - Phase 1

    International Nuclear Information System (INIS)

    Rodriguez, L; Castaneda, M

    2001-01-01

    The results obtained by relating the formation of wax crystals using traditional measurements such as cloud point, pour point and viscosity show the importance of analyzing the interactions among the chemical nature of crude oils, the physical-chemical variables and the fluid dynamics that cause different shapes and rates of crystallization. In addition, the specific value of viscosity should be measured at a certain temperature, as well as the rheological behavior of the crude oils during the process of formation and destruction of crystals due to shear rate. In order to carry out this study, a group of waxy crude oils was chosen. They were characterized considering the parameters mentioned above, and they were subjected to different cooling rates to microscopically observe the resulting morphologies, and to relate them to rheological behavior in a range of similar conditions that are obtained during hydrocarbon transport through pipelines. For this effect, laboratory tests were carried out, in addition to the scaling of results at the pilot plant level in a simulator to analyze the behavior of the fluids in dynamic or static conditions, in relation to prolonged pipeline downtime. This type of studies improves operational safety, offers considerable savings on additives, power, an increase in pumping capacity, and it also facilitates the selection of the most appropriate technology to control wax deposition

  13. Phase diagram of power law and Lennard-Jones systems: Crystal phases

    International Nuclear Information System (INIS)

    Travesset, Alex

    2014-01-01

    An extensive characterization of the low temperature phase diagram of particles interacting with power law or Lennard-Jones potentials is provided from Lattice Dynamical Theory. For power law systems, only two lattice structures are stable for certain values of the exponent (or softness) (A15, body centered cube (bcc)) and two more (face centered cubic (fcc), hexagonal close packed (hcp)) are always stable. Among them, only the fcc and bcc are equilibrium states. For Lennard-Jones systems, the equilibrium states are either hcp or fcc, with a coexistence curve in pressure and temperature that shows reentrant behavior. The hcp solid never coexists with the liquid. In all cases analyzed, for both power law and Lennard-Jones potentials, the fcc crystal has higher entropy than the hcp. The role of anharmonic terms is thoroughly analyzed and a general thermodynamic integration to account for them is proposed

  14. Single-Cycle Terahertz Pulse Generation from OH1 Crystal via Cherenkov Phase Matching

    Science.gov (United States)

    Uchida, Hirohisa; Oota, Kengo; Okimura, Koutarou; Kawase, Kodo; Takeya, Kei

    2018-06-01

    OH1 crystal is an organic nonlinear optical crystal with a large nonlinear optical constant. However, it has dispersion of refractive indices in the terahertz (THz) frequency. This limits the frequencies that satisfy the phase matching conditions for THz wave generation. In this study, we addressed the phase matching conditions for THz wave generation by combining an OH1 crystal with prism-coupled Cherenkov phase matching. We observed the generation of single-cycle THz pulses with a spectrum covering a frequency range of 3 THz. These results prove that combining prism-coupled Cherenkov phase matching with nonlinear optical crystals yields a THz wave generation method that is insusceptible to crystal dispersion.

  15. Orientational order and rotational relaxation in the plastic crystal phase of tetrahedral molecules.

    Science.gov (United States)

    Rey, Rossend

    2008-01-17

    A methodology recently introduced to describe orientational order in liquid carbon tetrachloride is extended to the plastic crystal phase of XY4 molecules. The notion that liquid and plastic crystal phases are germane regarding orientational order is confirmed for short intermolecular distances but is seen to fail beyond, as long range orientational correlations are found for the simulated solid phase. It is argued that, if real, such a phenomenon may not to be accessible with direct (diffraction) methods due to the high molecular symmetry. This behavior is linked to the existence of preferential orientation with respect to the fcc crystalline network defined by the centers of mass. It is found that the dominant class accounts, at most, for one-third of all configurations, with a feeble dependence on temperature. Finally, the issue of rotational relaxation is also addressed, with an excellent agreement with experimental measures. It is shown that relaxation is nonhomogeneous in the picosecond range, with a slight dispersion of decay times depending on the initial orientational class. The results reported mainly correspond to neopentane over a wide temperature range, although results for carbon tetrachloride are included, as well.

  16. Plasticity induced phase transformation in molecular crystals

    OpenAIRE

    Koslowski, Marisol

    2014-01-01

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

  17. A quaternary lead based perovskite structured materials with diffuse phase transition behavior

    International Nuclear Information System (INIS)

    Puli, Venkata Sreenivas; Martínez, R.; Kumar, Ashok; Scott, J.F.; Katiyar, Ram S.

    2011-01-01

    Graphical abstract: (a) Curie–Weiss plot for the inverse of the relative dielectric permittivity and (b) log (1/ε − 1/ε m ) as function of log (T − T m ) for ceramics at 1 kHz. Highlights: ► Retaining phase pure structure with quaternary complex stoichiometric compositions. ► P–E loops with good saturation polarization (P s ∼ 30.7 μC/cm 2 ). ► Diffused relaxor phase transition behavior with γ estimated is ∼1.65. -- Abstract: A lead based quaternary compound composed of 0.25(PbZr 0.52 Ti 0.48 O 3 ) + 0.25(PbFe 0.5 Ta 0.5 O 3 ) + 0.25 (PbF 0.67 W 0.33 O 3 ) + 0.25(PbFe 0.5 Nb 0.5 O 3 ) – (PZT–PFT–PFW–PFN) was synthesized by conventional solid-state reaction techniques. It showed moderate high dielectric constant, low dielectric loss, and two diffuse phase transitions, one below the room temperature ∼261 K and other above ∼410 K. X-ray diffraction (XRD) patterns revealed a tetragonal crystal structure at room temperature where as scanning electron micrograph (SEM) indicates inhomogeneous surface with an average grain size of 500 nm–3 μm. Well saturated ferroelectric hysteresis loops with good saturation polarization (spontaneous polarization, P s ∼ 30.68 μC/cm 2 ) were observed. Temperature-dependent ac conductivity displayed low conductivity with kink in spectra near the phase transition. In continuing search for developing new ferroelectric materials, in the present study we report stoichiometric compositions of complex perovskite ceramic materials: (PZT–PFT–PFW–PFN) with diffuse phase transition behavior. The crystal structure, dielectric properties, and ferroelectric properties were characterized by XRD, SEM, dielectric spectroscopy, and polarization. 1/ε versus (T) plots revealed diffuse relaxor phase transition (DPT) behavior. The compositional variation on the phase transition temperature, dielectric constant, and ferroelectric to paraelectric phase transitions are discussed.

  18. A quaternary lead based perovskite structured materials with diffuse phase transition behavior

    Energy Technology Data Exchange (ETDEWEB)

    Puli, Venkata Sreenivas, E-mail: pvsri123@gmail.com [Department of Physics and Institute for Functional Nano Materials, University of Puerto Rico, San Juan, PR 00936 (United States); Martinez, R.; Kumar, Ashok [Department of Physics and Institute for Functional Nano Materials, University of Puerto Rico, San Juan, PR 00936 (United States); Scott, J.F. [Department of Physics and Institute for Functional Nano Materials, University of Puerto Rico, San Juan, PR 00936 (United States); Cavendish Laboratory, Dept. Physics, University of Cambridge, Cambridge CB0 3HE (United Kingdom); Katiyar, Ram S., E-mail: rkatiyar@uprrp.edu [Department of Physics and Institute for Functional Nano Materials, University of Puerto Rico, San Juan, PR 00936 (United States)

    2011-12-15

    Graphical abstract: (a) Curie-Weiss plot for the inverse of the relative dielectric permittivity and (b) log (1/{epsilon} - 1/{epsilon}{sub m}) as function of log (T - T{sub m}) for ceramics at 1 kHz. Highlights: Black-Right-Pointing-Pointer Retaining phase pure structure with quaternary complex stoichiometric compositions. Black-Right-Pointing-Pointer P-E loops with good saturation polarization (P{sub s} {approx} 30.7 {mu}C/cm{sup 2}). Black-Right-Pointing-Pointer Diffused relaxor phase transition behavior with {gamma} estimated is {approx}1.65. -- Abstract: A lead based quaternary compound composed of 0.25(PbZr{sub 0.52}Ti{sub 0.48}O{sub 3}) + 0.25(PbFe{sub 0.5}Ta{sub 0.5}O{sub 3}) + 0.25 (PbF{sub 0.67}W{sub 0.33}O{sub 3}) + 0.25(PbFe{sub 0.5}Nb{sub 0.5}O{sub 3}) - (PZT-PFT-PFW-PFN) was synthesized by conventional solid-state reaction techniques. It showed moderate high dielectric constant, low dielectric loss, and two diffuse phase transitions, one below the room temperature {approx}261 K and other above {approx}410 K. X-ray diffraction (XRD) patterns revealed a tetragonal crystal structure at room temperature where as scanning electron micrograph (SEM) indicates inhomogeneous surface with an average grain size of 500 nm-3 {mu}m. Well saturated ferroelectric hysteresis loops with good saturation polarization (spontaneous polarization, P{sub s} {approx} 30.68 {mu}C/cm{sup 2}) were observed. Temperature-dependent ac conductivity displayed low conductivity with kink in spectra near the phase transition. In continuing search for developing new ferroelectric materials, in the present study we report stoichiometric compositions of complex perovskite ceramic materials: (PZT-PFT-PFW-PFN) with diffuse phase transition behavior. The crystal structure, dielectric properties, and ferroelectric properties were characterized by XRD, SEM, dielectric spectroscopy, and polarization. 1/{epsilon} versus (T) plots revealed diffuse relaxor phase transition (DPT) behavior. The

  19. Phase modulation due to crystal diffraction by ptychographic imaging

    Science.gov (United States)

    Civita, M.; Diaz, A.; Bean, R. J.; Shabalin, A. G.; Gorobtsov, O. Yu.; Vartanyants, I. A.; Robinson, I. K.

    2018-03-01

    Solving the phase problem in x-ray crystallography has occupied a considerable scientific effort in the 20th century and led to great advances in structural science. Here we use x-ray ptychography to demonstrate an interference method which measures the phase of the beam transmitted through a crystal, relative to the incoming beam, when diffraction takes place. The observed phase change of the direct beam through a small gold crystal is found to agree with both a quasikinematical model and full dynamical theories of diffraction. Our discovery of a diffraction contrast mechanism will enhance the interpretation of data obtained from crystalline samples using the ptychography method, which provides some of the most accurate x-ray phase-contrast images.

  20. Morphology, melting behavior, and non-isothermal crystallization of poly(butylene terephthalate)/poly(ethylene-co-methacrylic acid) blends

    International Nuclear Information System (INIS)

    Huang, J.-W.; Wen, Y.-L.; Kang, C.-C.; Yeh, M.-Y.; Wen, S.-B.

    2007-01-01

    The morphology, melting behavior, and non-isothermal crystallization of poly(butylene terephthalate) (PBT) and poly(ethylene-co-methacrylic acid) (PEMA) blends were studied with scanning electron microscopy, X-ray diffraction and differential scanning calorimetry (DSC). PEMA forms immiscible, yet compatible, blends with PBT. Subsequent DSC scans on melt-crystallized samples exhibited two melting endotherms (T mI and T mII ). The presence of PEMA would facilitate the recrystallization during heating scan and retard PBT molecular chains to form a perfect crystal in cooling crystallization. The dispersion phases of molten PEMA acts as nucleating agents to enhance the crystallization rate of PBT. The solidified PBT could act as nucleating agents to enhance the crystallization of PEMA, but also retard the molecular mobility to reduce crystallization rate. The U* and K g of Hoffman-Lauritzen theory were also determined by Vyazovkin's methods to support the interpretation

  1. Influence of iron on crystallization behavior and thermal stability of the insulating materials - porous calcium silicates

    DEFF Research Database (Denmark)

    Haastrup, Sonja; Yu, Donghong; Yue, Yuanzheng

    2017-01-01

    The properties of porous calcium silicate for high temperature insulation are strongly influenced by impurities. In this work we determine the influence of Fe3+ on the crystallization behavior and thermal stability of hydrothermally derived calcium silicate. We synthesize porous calcium silicate...... with Ca/Si molar ratio of 1, to which Fe2O3 is added with Fe/Si molar ratios of 0.1, 0.5, 0.7, 1.0, and 1.3%. Structure and morphology of the porous calcium silicate, with different iron concentrations, are investigated using Fourier transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD). FTIR...... measurements reveal a pronounced decrease in the number of Q3 sites in the calcium silicate with an increase of Fe3+, and thereby lower the crystal fraction of xonotlite (Ca6Si6O17(OH)2) phase, and increase the crystal fractions of tobermorite(Ca5Si6O16(OH)2·4H2O) and calcite (CaCO3) phases, as confirmed...

  2. Intermittent dislocation density fluctuations in crystal plasticity from a phase-field crystal model

    DEFF Research Database (Denmark)

    Tarp, Jens M.; Angheluta, Luiza; Mathiesen, Joachim

    2014-01-01

    Plastic deformation mediated by collective dislocation dynamics is investigated in the two-dimensional phase-field crystal model of sheared single crystals. We find that intermittent fluctuations in the dislocation population number accompany bursts in the plastic strain-rate fluctuations...... propose a simple stochastic model of dislocation reaction kinetics that is able to capture these statistical properties of the dislocation density fluctuations as a function of shear rate....

  3. Lyotropic Liquid Crystal Phases from Anisotropic Nanomaterials

    Directory of Open Access Journals (Sweden)

    Ingo Dierking

    2017-10-01

    Full Text Available Liquid crystals are an integral part of a mature display technology, also establishing themselves in other applications, such as spatial light modulators, telecommunication technology, photonics, or sensors, just to name a few of the non-display applications. In recent years, there has been an increasing trend to add various nanomaterials to liquid crystals, which is motivated by several aspects of materials development. (i addition of nanomaterials can change and thus tune the properties of the liquid crystal; (ii novel functionalities can be added to the liquid crystal; and (iii the self-organization of the liquid crystalline state can be exploited to template ordered structures or to transfer order onto dispersed nanomaterials. Much of the research effort has been concentrated on thermotropic systems, which change order as a function of temperature. Here we review the other side of the medal, the formation and properties of ordered, anisotropic fluid phases, liquid crystals, by addition of shape-anisotropic nanomaterials to isotropic liquids. Several classes of materials will be discussed, inorganic and mineral liquid crystals, viruses, nanotubes and nanorods, as well as graphene oxide.

  4. Defect-induced local variation of crystal phase transition temperature in metal-halide perovskites.

    Science.gov (United States)

    Dobrovolsky, Alexander; Merdasa, Aboma; Unger, Eva L; Yartsev, Arkady; Scheblykin, Ivan G

    2017-06-26

    Solution-processed organometal halide perovskites are hybrid crystalline semiconductors highly interesting for low-cost and efficient optoelectronics. Their properties are dependent on the crystal structure. Literature shows a variety of crystal phase transition temperatures and often a spread of the transition over tens of degrees Kelvin. We explain this inconsistency by demonstrating that the temperature of the tetragonal-to-orthorhombic phase transition in methylammonium lead triiodide depends on the concentration and nature of local defects. Phase transition in individual nanowires was studied by photoluminescence microspectroscopy and super-resolution imaging. We propose that upon cooling from 160 to 140 K, domains of the crystal containing fewer defects stay in the tetragonal phase longer than highly defected domains that readily transform to the high bandgap orthorhombic phase at higher temperatures. The existence of relatively pure tetragonal domains during the phase transition leads to drastic photoluminescence enhancement, which is inhomogeneously distributed across perovskite microcrystals.Understanding crystal phase transition in materials is of fundamental importance. Using luminescence spectroscopy and super-resolution imaging, Dobrovolsky et al. study the transition from the tetragonal to orthorhombic crystal phase in methylammonium lead triiodide nanowires at low temperature.

  5. On the crystal structure of Z-phase Cr(V,Nb)N

    DEFF Research Database (Denmark)

    Danielsen, Hilmar Kjartansson; Hald, John; Grumsen, Flemming Bjerg

    2006-01-01

    The Z-phase Cr(YNb)N particles in various 9 to 12 pct Cr creep-resistant steels were investigated with electron diffraction, energy dispersive spectroscopy (EDS), and electron energy loss spectroscopy(EELS). In addition to the well-known tetragonal crystal structure for Z phase, a cubic crystal s...

  6. Dynamic phase transition in the kinetic spin-32 Blume-Capel model: Phase diagrams in the temperature and crystal-field interaction plane

    Energy Technology Data Exchange (ETDEWEB)

    Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)]. E-mail: keskin@erciyes.edu.tr; Canko, Osman [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Deviren, Bayram [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

    2007-06-15

    We analyze, within a mean-field approach, the stationary states of the kinetic spin-32 Blume-Capel (BC) model by the Glauber-type stochastic dynamics and subject to a time-dependent oscillating external magnetic field. The dynamic phase transition (DPT) points are obtained by investigating the behavior of the dynamic magnetization as a function of temperature and as well as calculating the Liapunov exponent. Phase diagrams are constructed in the temperature and crystal-field interaction plane. We find five fundamental types of phase diagrams for the different values of the reduced magnetic field amplitude parameter (h) in which they present a disordered, two ordered phases and the coexistences phase regions. The phase diagrams also exhibit a dynamic double-critical end point for 05.06.

  7. Multiple topological phase transitions in a gyromagnetic photonic crystal

    KAUST Repository

    Chen, Zeguo

    2017-04-19

    We present the design of a tunable two-dimensional photonic crystal that exhibits multiple topological phases, including a conventional insulator phase, a quantum spin Hall phase, and a quantum anomalous Hall phase under different combinations of geometric parameters and external magnetic fields. Our photonic crystal enables a platform to study the topology evolution attributed to the interplay between crystalline symmetry and time-reversal symmetry. A four-band tight-binding model unambiguously reveals that the topological property is associated with the pseudospin orientations and that it is characterized by the spin Chern number. The emerging quantum anomalous Hall phase features a single helical edge state that is locked by a specific pseudospin. Simulation results demonstrate that the propagation of such a single helical edge state is robust against magnetic impurities. Potential applications, such as spin splitters, are described.

  8. Glass transition, crystallization kinetics and pressure effect on crystallization of ZrNbCuNiBe bulk metallic glass

    DEFF Research Database (Denmark)

    Xing, P.F.; Zhuang, Yanxin; Wang, W.H.

    2002-01-01

    The glass transition behavior and crystallization kinetics of Zr48Nb8Cu14Ni12Be18 bulk metallic glass have been investigated by differential scanning calorimetry and x-ray powder diffraction (XRD). The activation energies of both glass transition and crystallization events have been obtained using...... the Kissinger method. Results indicate that this glass crystallizes by a three-stage reaction: (1) phase separation and primary crystallization of glass, (2) formation of intermetallic compounds, and (3) decomposition of intermetallic compounds and crystallization of residual amorphous phase. The pressure...

  9. A Scanning Hologram Recorded by Phase Conjugate Property of Nonlinear Crystals

    DEFF Research Database (Denmark)

    Zi-Liang, Ping; Dalsgaard, Erik

    1996-01-01

    A methode of recording a scanning hologram with phase conjugate property of nonlinear crystal is provided. The principle of recording, setup and experiments are given.......A methode of recording a scanning hologram with phase conjugate property of nonlinear crystal is provided. The principle of recording, setup and experiments are given....

  10. Ultrafast characterization of phase-change material crystallization properties in the melt-quenched amorphous phase.

    Science.gov (United States)

    Jeyasingh, Rakesh; Fong, Scott W; Lee, Jaeho; Li, Zijian; Chang, Kuo-Wei; Mantegazza, Davide; Asheghi, Mehdi; Goodson, Kenneth E; Wong, H-S Philip

    2014-06-11

    Phase change materials are widely considered for application in nonvolatile memories because of their ability to achieve phase transformation in the nanosecond time scale. However, the knowledge of fast crystallization dynamics in these materials is limited because of the lack of fast and accurate temperature control methods. In this work, we have developed an experimental methodology that enables ultrafast characterization of phase-change dynamics on a more technologically relevant melt-quenched amorphous phase using practical device structures. We have extracted the crystallization growth velocity (U) in a functional capped phase change memory (PCM) device over 8 orders of magnitude (10(-10) 10(8) K/s), which reveals the extreme fragility of Ge2Sb2Te5 in its supercooled liquid phase. Furthermore, these crystallization properties were studied as a function of device programming cycles, and the results show degradation in the cell retention properties due to elemental segregation. The above experiments are enabled by the use of an on-chip fast heater and thermometer called as microthermal stage (MTS) integrated with a vertical phase change memory (PCM) cell. The temperature at the PCM layer can be controlled up to 600 K using MTS and with a thermal time constant of 800 ns, leading to heating rates ∼10(8) K/s that are close to the typical device operating conditions during PCM programming. The MTS allows us to independently control the electrical and thermal aspects of phase transformation (inseparable in a conventional PCM cell) and extract the temperature dependence of key material properties in real PCM devices.

  11. Isothermal crystallization and melting behavior of polypropylene/layered double hydroxide nanocomposites

    International Nuclear Information System (INIS)

    Lonkar, Sunil P.; Singh, R.P.

    2009-01-01

    The effect of layered double hydroxide (LDH) nanolayers on the crystallization behavior of polypropylene (PP) was studied based on the preparation of nanocomposites by a melt intercalation method. The isothermal crystallization kinetics and subsequent melting behavior of PP/LDH hybrids were studied with differential scanning calorimetry (DSC), polarized optical microscopy (POM), and wide-angle X-ray diffraction (WAXD). Studies revealed that the LDH promoted heterogeneous nucleation, accelerating the crystallization of PP. The Avrami equation successfully describes the isothermal crystallization kinetics of PP/LDH hybrids and signifies heterogeneous nucleation in crystal growth of PP. The varying values of Avrami exponent (n) and half crystallization time (t 1/2 ) of PP and PP/LDH hybrids describes overall crystallization behavior. The crystallite size (D hkl ) and distribution of different crystallites in PP varied in presence of LDH. A significant increase in melting temperature is observed for PP/LDH hybrids. The POM showed that smaller and less perfect crystals were formed in nanocomposites because of molecular interaction between PP chains and LDH. The value of fold surface free energy (σ e ) of PP chains decreased with increasing LDH content. Finally, the overall results signify that LDH at nanometer level acted as nucleating agent and accelerate the overall crystallization process of PP.

  12. Structure and crystallization behavior of La{sub 2}O{sub 3}⋅3B{sub 2}O{sub 3} metaborate glasses doped with Nd{sup 3+} or Eu{sup 3+} ions

    Energy Technology Data Exchange (ETDEWEB)

    Pytalev, D.S., E-mail: pytalev@isan.troitsk.ru [Institute of Spectroscopy, Russian Academy of Sciences, 5 Fizicheskaya St., 142190 Troitsk, Moscow (Russian Federation); Caurant, D.; Majérus, O.; Trégouët, H. [Institut de Recherche de Chimie Paris, CNRS – Chimie ParisTech, 11 Rue Pierre et Marie Curie, 75005 Paris (France); Charpentier, T. [CEA, IRAMIS, NIMBE, CEA-CNRS UMR 3299, Laboratoire de Structure et Dynamique par Résonance Magnétique, 91191 Gif-sur-Yvette (France); Mavrin, B.N. [Institute of Spectroscopy, Russian Academy of Sciences, 5 Fizicheskaya St., 142190 Troitsk, Moscow (Russian Federation)

    2015-08-25

    Highlights: • The structure and crystallization behavior of the La{sub 2}O{sub 3}⋅3B{sub 2}O{sub 3} glass are studied. • LaB{sub 3}O{sub 6} crystallizes congruently without intermediate but only from glass surface. • The structure of the amorphous and the crystalline phases differ significantly. • The activation energy of LaB{sub 3}O{sub 6} crystal growth is determined. - Abstract: The local structure and crystallization behavior of the stoichiometric La{sub 2}O{sub 3}⋅3B{sub 2}O{sub 3} (LaMB) metaborate glass doped with Nd{sup 3+} or Eu{sup 3+} ions are studied using differential thermal analysis (DTA), X-ray diffraction (XRD), Raman scattering and {sup 11}B magic-angle spinning nuclear magnetic resonance (MAS NMR), optical absorbance and luminescence techniques. In the crystallized samples, XRD, NMR and Raman spectroscopy have detected the formation of only one crystalline phase (congruent crystallization of LaB{sub 3}O{sub 6}). No intermediate metastable crystalline phase has been detected before LaB{sub 3}O{sub 6} crystals formation (single stage crystallization process). The observation of heat treated glass samples by scanning electron microscopy (SEM) and optical microscopy coupled with the study of the effect of varying the glass particle size on the DTA curves have both revealed that LaB{sub 3}O{sub 6} crystallization only occurs by a heterogeneous nucleation mechanism (needle-shape crystals) from glass surface. The activation energy E{sub c} of crystal growth has been determined by performing DTA experiments at different heating rates with the Kissinger (784 kJ/mol) and Ozawa (801 kJ/mol) equations than can be used for surface crystallization processes. The heterogeneous crystallization behavior and the spectroscopic results obtained in this work by comparing the LaMB glass with the LaB{sub 3}O{sub 6} crystalline phase suggest the existence of significant structural differences between the amorphous and the crystalline phases contrary to what

  13. Stress-Induced Crystallization of Ge-Doped Sb Phase-Change Thin Films

    NARCIS (Netherlands)

    Eising, Gert; Pauza, Andrew; Kooi, Bart J.

    The large effects of moderate stresses on the crystal growth rate in Ge-doped Sb phase-change thin films are demonstrated using direct optical imaging. For Ge6Sb94 and Ge7Sb93 phase-change films, a large increase in crystallization temperature is found when using a polycarbonate substrate instead of

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

    Science.gov (United States)

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

    2017-06-01

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

  15. Phase distortions in sum- and difference-frequency mixing in crystals

    International Nuclear Information System (INIS)

    Smith, A.V.; Bowers, M.S.

    1995-01-01

    We show that if two waves are incident on a quadratically nonlinear crystal, with the third wave generated entirely within the crystal, a phase-velocity mismatch (Δk ≠ 0) leads to intensity-dependent phase shifts of the generated wave only if there is walk-off, linear absorption, or significant diffraction of at least one of the waves as well as significant energy exchange among the waves. The result is frequency broadening and wave-front distortion of the generated wave. Although the induced phase distortions are usually quite small, they may be significant in applications that require high spectral resolution or pointing accuracy

  16. Crystal structure of the Al2CuIr phase

    International Nuclear Information System (INIS)

    Meshi, L.; Ezersky, V.; Kapush, D.; Grushko, B.

    2010-01-01

    A new ternary Al 2 CuIr phase was revealed in the Al-Cu-Ir system. It is formed below 1063 o C from the β-phase (CsCl-type structure) extending at elevated temperatures from AlIr. The crystal structure of the Al 2 CuIr phase was determined using a combination of precession electron diffraction and X-ray powder diffraction techniques. The phase has an orthorhombic C-centered unit cell with lattice parameters a = 8.1196(7) A, b = 5.0646(2) A and c = 5.18513(3) A; its crystal symmetry can be described by the Cmme (no. 67) space group (Pearson symbol oC16). The unit cell of the new phase contains 8 Al, 4 Cu and 4 Ir atoms and exhibits a new structure type. The reliability factors characterizing the Rietveld refinement procedure are: R p = 4.45%, R wp = 6.45%, R B = 3.69% and R f = 2.41%.

  17. Optical properties of Pb-based aggregated phases in CsBr crystal

    Energy Technology Data Exchange (ETDEWEB)

    Voloshinovskii, A. [Ivan Franko National University of Lviv, 8 Kyryla i Mefodiya Str., 79005 Lviv (Ukraine); Myagkota, S. [Ivan Franko National University of Lviv, 8 Kyryla i Mefodiya Str., 79005 Lviv (Ukraine); Garapyn, I. [Ivan Franko National University of Lviv, 8 Kyryla i Mefodiya Str., 79005 Lviv (Ukraine); Stryganyuk, G. [Ivan Franko National University of Lviv, 8 Kyryla i Mefodiya Str., 79005 Lviv (Ukraine); Rodnyi, P. [St. Petersburg State Polytechnical University, 29 Polyteknicheskaya Str., 195251 St. Petersburg (Russian Federation); Eijk, C.W.E. van [Interfaculty Reactor Institute, Delft University of Technology, Mekelweg 15, 2629 JB Delft (Netherlands)]. E-mail: vaneijk@iri.tudelft.nl

    2005-01-01

    The emission and excitation spectra as well as luminescence decay kinetics of a CsBr:Pb (1.0mol%) crystal have been measured under pulsed synchrotron radiation excitation. The heat-treated ({approx}200 deg. C) crystal shows evidence of single lead centres and aggregated phases such as CsPbBr3 nanocrystals. The latter have been identified from comparison of the spectral-kinetic characteristics of the CsPbBr3 aggregated phases and single crystals. The process of energy transfer from the host to the aggregates is considered.

  18. Optical properties of Pb-based aggregated phases in CsBr crystal

    International Nuclear Information System (INIS)

    Voloshinovskii, A.; Myagkota, S.; Garapyn, I.; Stryganyuk, G.; Rodnyi, P.; Eijk, C.W.E. van

    2005-01-01

    The emission and excitation spectra as well as luminescence decay kinetics of a CsBr:Pb (1.0mol%) crystal have been measured under pulsed synchrotron radiation excitation. The heat-treated (∼200 deg. C) crystal shows evidence of single lead centres and aggregated phases such as CsPbBr3 nanocrystals. The latter have been identified from comparison of the spectral-kinetic characteristics of the CsPbBr3 aggregated phases and single crystals. The process of energy transfer from the host to the aggregates is considered

  19. Crystal Phase Quantum Well Emission with Digital Control.

    Science.gov (United States)

    Assali, S; Lähnemann, J; Vu, T T T; Jöns, K D; Gagliano, L; Verheijen, M A; Akopian, N; Bakkers, E P A M; Haverkort, J E M

    2017-10-11

    One of the major challenges in the growth of quantum well and quantum dot heterostructures is the realization of atomically sharp interfaces. Nanowires provide a new opportunity to engineer the band structure as they facilitate the controlled switching of the crystal structure between the zinc-blende (ZB) and wurtzite (WZ) phases. Such a crystal phase switching results in the formation of crystal phase quantum wells (CPQWs) and quantum dots (CPQDs). For GaP CPQWs, the inherent electric fields due to the discontinuity of the spontaneous polarization at the WZ/ZB junctions lead to the confinement of both types of charge carriers at the opposite interfaces of the WZ/ZB/WZ structure. This confinement leads to a novel type of transition across a ZB flat plate barrier. Here, we show digital tuning of the visible emission of WZ/ZB/WZ CPQWs in a GaP nanowire by changing the thickness of the ZB barrier. The energy spacing between the sharp emission lines is uniform and is defined by the addition of single ZB monolayers. The controlled growth of identical quantum wells with atomically flat interfaces at predefined positions featuring digitally tunable discrete emission energies may provide a new route to further advance entangled photons in solid state quantum systems.

  20. Molecular Dynamics Study on Nucleation Behavior and Lamellar Mergence of Polyethylene Globule Crystallization

    Science.gov (United States)

    Yang, Xiaozhen; Wang, Simiao

    2012-02-01

    The site order parameter (SOP) has been adopted to analyze various order structure formation and distribution during the crystallization of a multi-chain polyethylene globule simulated by molecular dynamics. We found that the nucleation relies on crystallinity fluctuation with increase of amplitude, and the baby nucleus in the fluctuation suddenly appears with different shape and increasing size. In the growth stage, a number of lamellar mergence was observed and their selective behaviors were suggested to be related to the orientation difference between the merging lamellae. We obtained that SOP distribution of all atoms in the system during crystallization appears with two peaks: one for the amorphous phase and the other for the crystalline phase. Mesomorphic structures with medium orders locate between the two peaks as an order promotion pathway. Obtained data show that the medium order structure fluctuates at the growth front and does not always be available; the medium order structure existing at the front is not always good for developing. It is possibly caused by chain entanglement.

  1. Analysis on the phase transition behavior of Cu base bulk metallic glass by electrical resistivity measurement

    International Nuclear Information System (INIS)

    Ji, Young Su; Chung, Sung Jae; Ok, Myoung-Ryul; Hong, Kyung Tae; Suh, Jin-Yoo; Byeon, Jai Won; Yoon, Jin-Kook; Lee, Kyung Hwan; Lee, Kyung Sub

    2007-01-01

    The crystallization behavior of Cu 43 Zr 43 Al 7 Ag 7 (numbers indicate at.%) bulk metallic glass was investigated using the isothermal electrical resistivity measurements at 450 deg. C in the supercooled liquid region. The crystallization process is a single step phase transformation. To analyze the electrical resistivity reduction, microstructure evolutions were analyzed using differential scanning calorimetry, X-ray diffraction, transmission electron microscopy and small-angle X-ray scattering. The Avrami parameter of the electrical resistivity reduction step was 1.73, indicating that the crystallization process is a diffusion-controlled growth of intermetallic compounds with decreasing nucleation rate

  2. Effect of Molecular Flexibility on the Nematic-to-Isotropic Phase Transition for Highly Biaxial Molecular Non-Symmetric Liquid Crystal Dimers

    Science.gov (United States)

    Sebastián, Nerea; López, David Orencio; Diez-Berart, Sergio; de la Fuente, María Rosario; Salud, Josep; Pérez-Jubindo, Miguel Angel; Ros, María Blanca

    2011-01-01

    In this work, a study of the nematic (N)–isotropic (I) phase transition has been made in a series of odd non-symmetric liquid crystal dimers, the α-(4-cyanobiphenyl-4’-yloxy)-ω-(1-pyrenimine-benzylidene-4’-oxy) alkanes, by means of accurate calorimetric and dielectric measurements. These materials are potential candidates to present the elusive biaxial nematic (NB) phase, as they exhibit both molecular biaxiality and flexibility. According to the theory, the uniaxial nematic (NU)–isotropic (I) phase transition is first-order in nature, whereas the NB–I phase transition is second-order. Thus, a fine analysis of the critical behavior of the N–I phase transition would allow us to determine the presence or not of the biaxial nematic phase and understand how the molecular biaxiality and flexibility of these compounds influences the critical behavior of the N–I phase transition. PMID:28824100

  3. Electrically Tunable Reflective Terahertz Phase Shifter Based on Liquid Crystal

    Science.gov (United States)

    Yang, Jun; Xia, Tianyu; Jing, Shuaicheng; Deng, Guangsheng; Lu, Hongbo; Fang, Yong; Yin, Zhiping

    2018-02-01

    We present a reflective spatial phase shifter which operates at terahertz regime above 325 GHz. The controllable permittivity of the nematic liquid crystals was utilized to realize a tunable terahertz (THz) reflective phase shifter. The reflective characteristics of the terahertz electromagnetic waves and the liquid crystal parameters were calculated and analyzed. We provide the simulation results for the effect of the incident angle of the plane wave on the reflection. The experiment was carried out considering an array consisting of 30 × 30 patch elements, printed on a 20 × 20 mm quartz substrate with 1-mm thickness. The phase shifter provides a tunable phase range of 300° over the frequency range of 325 to 337.6 GHz. The maximum phase shift of 331° is achieved at 330 GHz. The proposed phase shifter is a potential candidate for THz applications, particularly for reconfigurable reflectarrays.

  4. Crystallization and melting behavior of isotactic polypropylene composites filled by zeolite supported β-nucleator

    International Nuclear Information System (INIS)

    Jiang, Juan; Li, Gu; Tan, Nanshu; Ding, Qian; Mai, Kancheng

    2012-01-01

    Highlights: ► The supported calcium pimelate β-zeolite was prepared. ► The β-nucleation of zeolite was enhanced dramatically through reaction. ► High β-phase content iPP composites were obtained by introducing the β-zeolite into iPP. - Abstract: In order to prepare the zeolite filled β-iPP composites, the calcium pimelate as β-nucleator supported on the surface of zeolite (β-zeolite) was prepared by the interaction between calcified zeolite and pimelic acid. The β-nucleation, crystallization behavior and melting characteristic of zeolite, calcified zeolite and β-zeolite filled iPP composites were investigated by differential scanning calorimetry and wide-angle X-ray diffractometer. The results indicated that addition of the zeolite and calcified zeolite as well as β-zeolite increased the crystallization temperature of iPP. The zeolite and calcified zeolite filled iPP composites mainly crystallized in the α-crystal form and the strong β-heterogeneous nucleation of β-zeolite results in the formation of only β-crystal in β-zeolite filled iPP composites. The zeolite filled β-iPP composites with high β-crystal contents (above 0.90) can be easily obtained by adding β-zeolite into iPP matrix.

  5. Prism-coupled Cherenkov phase-matched terahertz wave generation using a DAST crystal.

    Science.gov (United States)

    Suizu, Koji; Shibuya, Takayuki; Uchida, Hirohisa; Kawase, Kodo

    2010-02-15

    Terahertz (THz) wave generation based on nonlinear frequency conversion is a promising method for realizing a tunable monochromatic high-power THz-wave source. Unfortunately, many nonlinear crystals have strong absorption in the THz frequency region. This limits efficient and widely tunable THz-wave generation. The Cherenkov phase-matching method is one of the most promising techniques for overcoming these problems. Here, we propose a prism-coupled Cherenkov phase-matching (PCC-PM) method, in which a prism with a suitable refractive index at THz frequencies is coupled to a nonlinear crystal. This has the following advantages. Many crystals can be used as THz-wave emitters; the phase-matching condition inside the crystal does not have to be observed; the absorption of the crystal does not prevent efficient generation of radiation; and pump sources with arbitrary wavelengths can be employed. Here we demonstrate PCC-PM THz-wave generation using the organic crystal 4-dimethylamino-N-metyl-4-stilbazolium tosylate (DAST) and a Si prism coupler. We obtain THz-wave radiation with tunability of approximately 0.1 to 10 THz and with no deep absorption features resulting from the absorption spectrum of the crystal. The obtained spectra did not depend on the pump wavelength in the range 1300 to 1450 nm. This simple technique shows promise for generating THz radiation using a wide variety of nonlinear crystals.

  6. Crystallization behavior of partially miscible biodegradable poly(butylene succinate)/poly(ethylene succinate) blends

    International Nuclear Information System (INIS)

    He, Yi-Song; Zeng, Jian-Bing; Li, Shao-Long; Wang, Yu-Zhong

    2012-01-01

    Graphical abstract: Crystallization rate of PBS in the blends decreased first and then increased with increase in PES content, and that of PES increased steadily with increase in PBS content. The rich component formed a continuous phase and the other formed a dispersed phase of the blend. Crystal structures of PBS and PES were almost unchanged after blending with each other. Highlights: ► PBS/PES blend systems are partially miscible. ► Blending did not change the crystallization mechanisms of PBS and PES not affects the crystallization rates. ► The rich component formed the continuous phase while the poor component formed the dispersed phase of the blends. ► Crystal structures of PBS and PES were almost unchanged after blending with each other. - Abstract: Biodegradable blend of poly(butylene succinate) (PBS) and poly(ethylene succinate) (PES) was prepared by solution blending and casting method with chloroform as a mutual solvent. Miscibility of the blends was investigated by differential scanning calorimetry (DSC). The results indicated that PBS and PES were partially miscible. Crystallization kinetics, crystalline morphology and crystal structure of the blends were studied by DSC, polarized optical microscope (POM), and wide-angle X-ray diffraction (WAXD), respectively. Nonisothermal and isothermal crystallization kinetics suggested that the crystallizability of PBS in the blends decreased first and then increased with increase in PES content, and that of PES increased steadily with increase in PBS content. POM observation illustrated that the rich component formed a continuous phase and the other formed a dispersed phase. The results of WAXD indicated that the crystal structures of PBS and PES were almost unchanged before and after blending, since the positions of characteristic diffraction peaks of both components remain almost unchanged.

  7. Strong dielectric liquid crystal polymer (Part 3)

    Energy Technology Data Exchange (ETDEWEB)

    Kurata, Hideaki; Shibasaki, Akira

    1988-11-01

    Influence of change of molecular parameters on liquid crystal condition is studied to get the correlation between molecular structure of liquid crystal and phase structure or visco-elastic properties. Eight kinds of biphenyl type liquid crystals with polyacrilate main chain and triphenyl type liquid crystals were used as samples. Followings were found by a ploarizing microscope and X-ray diffraction: Phases are transferred from isotropic phase S/sub A/ phase S/sup *//sub C/ phase S/sub 1/ phase to solid on temperature desending sequence. Degree of polymerization changes only these transfer point but spacer length affects not only transfer points and layer distance but also liquid crystal structure itself. Visco-elasticity of isotropic phase shows Newtonian viscosity and is affected by the main chain length. Macroscopic and microscopic structures influence on viscoelasticity in S/sub A/ phase and S/sup *//sub C/ phase. Two rapid rises of viscoelasticity are found in low molecular weight liquid crystal when S/sub A/ transfer and S/sub A/ to S/sup *//sub C/ transfer occur by temperature desending from the isotropic phase. Viscoelastic behavior is contributed by the properties of domain itself and interaction between domains, and the interaction is changed by polymerization. 6 references, 13 figures, 1 table.

  8. Unique crystallization behavior of sodium manganese pyrophosphate Na2MnP2O7 glass and its electrochemical properties

    Directory of Open Access Journals (Sweden)

    Morito Tanabe

    2017-06-01

    Full Text Available Crystallization behavior of Na2MnP2O7 precursor glass was examined. Layered type Na2MnP2O7 was formed at 461 °C for 3 h in N2 filled electric furnace. Irreversible phase change was confirmed from layered Na2MnP2O7 to β-Na2MnP2O7 over 600 °C. At 650 °C crystallized phase was completely changed to β-phase. By means of charge and discharge testing it is found that layered Na2MnP2O7 is also active as cathode in sodium ion batteries. We found glass-ceramics technology is one of the suitable process for the synthesis of layered Na2MnP2O7 cathode without any complicate process.

  9. The role of crystal orientation and surface proximity in the self-similar behavior of deformed Cu single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Pang, Judy W.L., E-mail: pangj@ornl.gov [Materials Science and Technology Division, Oak Ridge National Laboratory, 1 Behtel Valley Road, Oak Ridge, TN 37831 (United States); Ice, Gene E. [Materials Science and Technology Division, Oak Ridge National Laboratory, 1 Behtel Valley Road, Oak Ridge, TN 37831 (United States); Liu Wenjun [Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States)

    2010-11-25

    We report on novel 3D spatially resolved X-ray diffraction microscopy studies of self-affine behavior in deformed single crystals. This study extends surface profile measurements of self-affined morphology changes in single crystals during deformation to include local lattice rotations and sub-surface behavior. Investigations were made on the spatial correlation of the local lattice rotations in 8% tensile deformed Cu single crystals oriented with [1 2 3], [1 1 1] and [0 0 1] axes parallel to the tensile axis. The nondestructive depth-resolved measurements were made over a length scale of one to hundreds of micrometers. Self-affined correlation was found both at the surface and below the surface of the samples. A universal exponent for the power-law similar to that observed with surface profile methods is found at the surface of all samples but crystallographically sensitive changes are observed as a function of depth. Correlation lengths of the self-affine behavior vary with the [1 2 3] crystal exhibiting the longest self-affine length scale of 70 {mu}m with only 18 {mu}m for the [1 1 1] and [0 0 1] crystals. These measurements illuminate the transition from surface-like to bulk-like deformation behavior and provide new quantitative information to guide emerging models of self-organized structures in plasticity.

  10. Crystallization and Characterization of Galdieria sulphuraria RUBISCO in Two Crystal Forms: Structural Phase Transition Observed in P21 Crystal Form

    Directory of Open Access Journals (Sweden)

    Boguslaw Stec

    2007-10-01

    Full Text Available We have isolated ribulose-1,5-bisphosphate-carboxylase/oxygenase (RUBISCOfrom the red algae Galdieria Sulphuraria. The protein crystallized in two different crystalforms, the I422 crystal form being obtained from high salt and the P21 crystal form beingobtained from lower concentration of salt and PEG. We report here the crystallization,preliminary stages of structure determination and the detection of the structural phasetransition in the P21 crystal form of G. sulphuraria RUBISCO. This red algae enzymebelongs to the hexadecameric class (L8S8 with an approximate molecular weight 0.6MDa.The phase transition in G. sulphuraria RUBISCO leads from two hexadecamers to a singlehexadecamer per asymmetric unit. The preservation of diffraction power in a phasetransition for such a large macromolecule is rare.

  11. Phase behavior and phase inversion for dispersant systems

    International Nuclear Information System (INIS)

    Solheim, A.; Brandvik, P.J.

    1991-06-01

    This report describes some preliminary phase behavior studies and phase inversion temperature measurements in seawater, bunker oil and dispersant. The objectives have been to find new ways of characterizing dispersants for dispersing oil spill at sea and, perhaps, to throw new lights on the mechanism of dispersion formation (oil-in-water emulsification). The work has been focussed on the relation to phase behavior and the existence of microemulsion in equilibrium with excess oil and water phases. The dispersing process is also compared to the recommended conditions for emulsion formation. When forming an oil-in-water emulsion in an industrial process, it is recommended to choose an emulsifier which gives a phase inversion temperature (PIT) which is 20 - 60 o C higher than the actual temperature for use. The emulsification process must take place close to the PIT which is the temperature at which the emulsion change from oil-in-water emulsion to water-in-oil emulsion when the system is stirred. This condition corresponds to the temperature where the phase behavior change character. The purpose has been to find out if the composition of the dispersants corresponds to the recommendations for oil-in-water emulsification. The amount of experimental work has been limited. Two kinds of experiments have been carried out. Phase behavior studies have been done for seawater, bunker oil and four different dispersants where one had an optimal composition. The phase behavior was hard to interpret and is not recommended for standard dispersants test. The other experimental technique was PIT-measurements by conductivity measurements versus temperature. 4 figs., 1 tab., 4 refs

  12. Controlled in meso phase crystallization--a method for the structural investigation of membrane proteins.

    Directory of Open Access Journals (Sweden)

    Jan Kubicek

    Full Text Available We investigated in meso crystallization of membrane proteins to develop a fast screening technology which combines features of the well established classical vapor diffusion experiment with the batch meso phase crystallization, but without premixing of protein and monoolein. It inherits the advantages of both methods, namely (i the stabilization of membrane proteins in the meso phase, (ii the control of hydration level and additive concentration by vapor diffusion. The new technology (iii significantly simplifies in meso crystallization experiments and allows the use of standard liquid handling robots suitable for 96 well formats. CIMP crystallization furthermore allows (iv direct monitoring of phase transformation and crystallization events. Bacteriorhodopsin (BR crystals of high quality and diffraction up to 1.3 Å resolution have been obtained in this approach. CIMP and the developed consumables and protocols have been successfully applied to obtain crystals of sensory rhodopsin II (SRII from Halobacterium salinarum for the first time.

  13. Phase properties of elastic waves in systems constituted of adsorbed diatomic molecules on the (001) surface of a simple cubic crystal

    Science.gov (United States)

    Deymier, P. A.; Runge, K.

    2018-03-01

    A Green's function-based numerical method is developed to calculate the phase of scattered elastic waves in a harmonic model of diatomic molecules adsorbed on the (001) surface of a simple cubic crystal. The phase properties of scattered waves depend on the configuration of the molecules. The configurations of adsorbed molecules on the crystal surface such as parallel chain-like arrays coupled via kinks are used to demonstrate not only linear but also non-linear dependency of the phase on the number of kinks along the chains. Non-linear behavior arises for scattered waves with frequencies in the vicinity of a diatomic molecule resonance. In the non-linear regime, the variation in phase with the number of kinks is formulated mathematically as unitary matrix operations leading to an analogy between phase-based elastic unitary operations and quantum gates. The advantage of elastic based unitary operations is that they are easily realizable physically and measurable.

  14. Phase transitions of antibiotic clarithromycin forms I, IV and new form VII crystals.

    Science.gov (United States)

    Ito, Masataka; Shiba, Rika; Watanabe, Miteki; Iwao, Yasunori; Itai, Shigeru; Noguchi, Shuji

    2018-06-01

    Metastable crystal form I of the antibiotic clarithromycin has a pharmaceutically valuable characteristic that its crystalline phase transition can be applied for its sustained release from tablets. The phase transition of form I was investigated in detail by single crystal and powder X-ray analyses, dynamic vapor sorption analysis and thermal analysis. The single crystal structure of form I revealed that form I was not an anhydrate crystal but contained a partially occupied water molecule in the channel-like void space. Dynamic vapor sorption (DVS) analysis demonstrated that form I crystals reversibly sorbed water molecules in two steps when the relative humidity (RH) increased and finally transited to hydrate form IV at 95% RH. DVS analysis also showed that when the RH decreased form IV crystals lost water molecules at 40% RH and transited to the newly identified anhydrate crystal form VII. Form VII reversibly transited to form IV at lower RH than form I, suggesting that form I is more suitable for manufacturing a sustained-release tablet of CAM utilizing the crystalline phase transition. Copyright © 2018 Elsevier B.V. All rights reserved.

  15. Polymer Stabilization of Liquid-Crystal Blue Phase II toward Photonic Crystals.

    Science.gov (United States)

    Jo, Seong-Yong; Jeon, Sung-Wook; Kim, Byeong-Cheon; Bae, Jae-Hyun; Araoka, Fumito; Choi, Suk-Won

    2017-03-15

    The temperature ranges where a pure simple-cubic blue phase (BPII) emerges are quite narrow compared to the body-centered-cubic BP (BPI) such that the polymer stabilization of BPII is much more difficult. Hence, a polymer-stabilized BPII possessing a wide temperature range has been scarcely reported. Here, we fabricate a polymer-stabilized BPII over a temperature range of 50 °C including room temperature. The fabricated polymer-stabilized BPII is confirmed via polarized optical microscopy, Bragg reflection, and Kossel diagram observations. Furthermore, we demonstrate reflective BP liquid-crystal devices utilizing the reflectance-voltage performance as a potential application of the polymer-stabilized BPII. Our work demonstrates the possibility of practical application of the polymer-stabilized BPII to photonic crystals.

  16. Effect of Fe2O3 on the crystallization behavior of glass-ceramics produced from naturally cooled yellow phosphorus furnace slag

    Science.gov (United States)

    Liu, Hong-pan; Huang, Xiao-feng; Ma, Li-ping; Chen, Dan-li; Shang, Zhi-biao; Jiang, Ming

    2017-03-01

    CaO-Al2O3-SiO2 (CAS) glass-ceramics were prepared via a melting method using naturally cooled yellow phosphorus furnace slag as the main raw material. The effects of the addition of Fe2O3 on the crystallization behavior and properties of the prepared glass-ceramics were studied by differential thermal analysis, X-ray diffraction, and scanning electron microscopy. The crystallization activation energy was calculated using the modified Johnson-Mehl-Avrami equation. The results show that the intrinsic nucleating agent in the yellow phosphorus furnace slag could effectively promote the crystallization of CAS. The crystallization activation energy first increased and then decreased with increasing amount of added Fe2O3. At 4wt% of added Fe2O3, the crystallization activation energy reached a maximum of 676.374 kJ·mol-1. The type of the main crystalline phase did not change with the amount of added Fe2O3. The primary and secondary crystalline phases were identified as wollastonite (CaSiO3) and hedenbergite (CaFe(Si2O6)), respectively.

  17. Modelling and theories of alloy phase behavior

    International Nuclear Information System (INIS)

    Watson, R.E.; Davenport, J.W.; Weinert, M.; Bennett, L.H.

    1987-01-01

    Many trends in alloy phase formation are readily understood in terms of physically plausible atomic parameters. This has led to the introduction of structural maps where two (or more) such atomic parameters are employed as the coordinates and well-defined regions are observed to be associated with particular crystalline phases. These coordinates sometimes involve the difference in atomic parameters and sometimes involve an average. An alternative approach to the emphasis on atomic parameters has been the consideration of how atoms are packed in some crystal structure and how this controls what the constituent atoms may be. Recently this has led to the utilization of Wigner-Seitz (sometimes called Voronoi or Dirichlet) constructs of the atomic cells in a crystal structure and to the observation that sometimes two crystals which are nominally considered to have the same crystal structure according to normal crystallographic designation should be considered to be different. The Wigner-Seitz cell constructs have also offered a framework for understanding trends in the magnetic and chemical properties of particular phases as well as making coordination between crystalline and glassy structures. Neither of the above approaches provides numerical estimates of quantities of thermodynamic interest such as heats of formation. Such heats are being calculated. 42 refs., 15 figs

  18. Micromechanical Behavior of Single-Crystal Superalloy with Different Crystal Orientations by Microindentation

    Directory of Open Access Journals (Sweden)

    Jinghui Li

    2015-01-01

    Full Text Available In order to investigate the anisotropic micromechanical properties of single-crystal nickel-based superalloy DD99 of four crystallographic orientations, (001, (215, (405, and (605, microindentation test (MIT was conducted with different loads and loading velocities by a sharp Berkovich indenter. Some material parameters reflecting the micromechanical behavior of DD99, such as microhardness H, Young’s modulus E, yield stress σy, strain hardening component n, and tensile strength σb, can be obtained from load-displacement relations. H and E of four different crystal planes evidently decrease with the increase of h. The reduction of H is due to dislocation hardening while E is related to interplanar spacing and crystal variable. σy of (215 is the largest among four crystal planes, followed by (605, and (001 has the lowest value. n of (215 is the lowest, followed by (605, and that of (001 is the largest. Subsequently, a simplified elastic-plastic material model was employed for 3D microindentation simulation of DD99 with various crystal orientations. The simulation results agreed well with experimental, which confirmed the accuracy of the simplified material model.

  19. Orientational Phase Transition Around 274 K in C60 Single Crystal

    Institute of Scientific and Technical Information of China (English)

    徐亚伯; 何丕模; 杨宏顺; 郑萍; 余朝文; 陈兆甲; 张宣嘉; 李文铸

    1994-01-01

    The electrical conductivity of a C60 single crystal around 274 K and the specific heat of C60 crystals from 150 to 340 K have been measured.The delta-like specific heat peak at about 251 K related to the first-order phase transition has been reported.The activation energy change around 274 K and the lambda-like specific heat peak beginning at 270 K and ending at 310 K show that there is an orientational phase transition in fcc C60 crystals above 251 K.By taking the symmetry into consideration and further analyzing lambda-like specific heat peak and the activation energy change around 274 K,the conclusion has been reached that this new phase transition is an orientational structure transition from the merohedral twinning fcc to the orientationally disordered fcc.The temperature of free rotation of C60 molecules is about 281 K.

  20. Tunable topological phases in photonic and phononic crystals

    KAUST Repository

    Chen, Zeguo

    2018-02-18

    Topological photonics/phononics, inspired by the discovery of topological insulators, is a prosperous field of research, in which remarkable one-way propagation edge states are robust against impurities or defect without backscattering. This dissertation discusses the implementation of multiple topological phases in specific designed photonic and phononic crystals. First, it reports a tunable quantum Hall phase in acoustic ring-waveguide system. A new three-band model focused on the topological transitions at the Γ point is studied, which gives the functionality that nontrivial topology can be tuned by changing the strengths of the couplings and/or the broken time-reversal symmetry. The resulted tunable topological edge states are also numerically verified. Second, based on our previous studied acoustic ring-waveguide system, we introduce anisotropy by tuning the couplings along different directions. We find that the bandgap topology is related to the frequency and directions. We report our proposal on a frequency filter designed from such an anisotropic topological phononic crystal. Third, motivated by the recent progress on quantum spin Hall phases, we propose a design of time-reversal symmetry broken quantum spin Hall insulators in photonics, in which a new quantum anomalous Hall phase emerges. It supports a chiral edge state with certain spin orientations, which is robust against the magnetic impurities. We also report the realization of the quantum anomalous Hall phase in phononics.

  1. Large deformation behavior of fat crystal networks

    NARCIS (Netherlands)

    Kloek, W.; Vliet, van T.; Walstra, P.

    2005-01-01

    Compression and wire-cutting experiments on dispersions of fully hydrogenated palm oil in sunflower oil with varying fraction solid fat were carried out to establish which parameters are important for the large deformation behavior of fat crystal networks. Compression experiments showed that the

  2. Transient phases during crystallization of solution-processed organic thin films

    Science.gov (United States)

    Wan, Jing; Li, Yang; Ulbrandt, Jeffery; Smilgies, Detlef-M.; Hollin, Jonathan; Whalley, Adam; Headrick, Randall

    We report an in-situ study of 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT) organic semiconductor thin film deposition from solution via hollow pen writing, which exhibits multiple transient phases during crystallization. Under high writing speed (25 mm/s) the films have an isotropic morphology, although the mobilities range up to 3.0 cm2/V.s. To understand the crystallization in this highly non-equilibrium regime, we employ in-situ microbeam grazing incidence wide-angle X-ray scattering combined with optical video microscopy at different deposition temperatures. A sequence of crystallization was observed in which a layered liquid-crystalline (LC) phase of C8-BTBT precedes inter-layer ordering. For films deposited above 80ºC, a transition from LC phase to a transient crystalline state that we denote as Cr1 occurs after a temperature-dependent incubation time, which is consistent with classical nucleation theory. After an additional ~ 0.5s, Cr1 transforms to the final stable structure Cr2. Based on these results, we demonstrate a method to produce large crystalline grain size and high carrier mobility during high-speed processing by controlling the nucleation rate during the transformation from the LC phase. Nsf DMR-1307017, NSF DMR-1332208.

  3. Extra phase noise from thermal fluctuations in nonlinear optical crystals

    DEFF Research Database (Denmark)

    César, J. E. S.; Coelho, A.S.; Cassemiro, K.N.

    2009-01-01

    We show theoretically and experimentally that scattered light by thermal phonons inside a second-order nonlinear crystal is the source of additional phase noise observed in optical parametric oscillators. This additional phase noise reduces the quantum correlations and has hitherto hindered the d...

  4. Electron-beam-irradiation-induced crystallization of amorphous solid phase change materials

    Science.gov (United States)

    Zhou, Dong; Wu, Liangcai; Wen, Lin; Ma, Liya; Zhang, Xingyao; Li, Yudong; Guo, Qi; Song, Zhitang

    2018-04-01

    The electron-beam-irradiation-induced crystallization of phase change materials in a nano sized area was studied by in situ transmission electron microscopy and selected area electron diffraction. Amorphous phase change materials changed to a polycrystalline state after being irradiated with a 200 kV electron beam for a long time. The results indicate that the crystallization temperature strongly depends on the difference in the heteronuclear bond enthalpy of the phase change materials. The selected area electron diffraction patterns reveal that Ge2Sb2Te5 is a nucleation-dominated material, when Si2Sb2Te3 and Ti0.5Sb2Te3 are growth-dominated materials.

  5. Shrink, twist, ripple and melt: Studies of frustrated liquid crystals

    Science.gov (United States)

    Fernsler, Jonathan G.

    Complex structures can arise out of a simple system with more than one competing influence on its behavior. The protypical example of this is the two-dimensional triangular lattice Ising model. The ferromagnetic model has two simple degenerate ground states of all spins up or down, but the antiferromagnetic model is a frustrated system. Its geometry does not allow satisfaction of the antiferro condition everywhere, which produces complex ordered structures with dimerization of the spins [1]. Without frustration, the complex structures and phase behavior are lost. All of the topics discussed in this thesis concern smectic liquid crystals. Liquid crystals are perhaps uniquely adept at manifesting frustrated phases. Their combination of periodicity in one or more dimensions allows ordered structures, yet their fluid nature in remaining dimensions allows creation of defects and extraordinarily complex structures in ways that a normal crystal could not tolerate. Liquid crystals contain a huge menagerie of frustrated phases and effects including the polarization modulated [2], vortex lattice [3], twist grain boundary [4], and blue [5] phases, as well as frustrated structures such as cholesteric or SmC* helix unwinding [6], defect lattices in thin films [7], and bend melted grain boundary defects [8], arising from boundary conditions and field effects. In this thesis, we study four liquid crystal systems that show unusual phase behavior or complex structures, deriving from the effects of frustration. Frustration, despite some human prejudices against the word, leaves nature all the more interesting and beautiful.

  6. Structural and morphological characterization of fullerite crystals prepared from the vapor phase

    International Nuclear Information System (INIS)

    Haluska, M.; Fejdi, P.; Vybornov, M.; Kuzmany, H.

    1993-01-01

    Crystal structure, habits and surface structures of fullerite crystals prepared from vapor phase were characterized by X-ray analysis, interfacial angle measurements and optical and scanning electron microscopy (SEM). The study of selected C 60 crystals confirmed the fcc structure at room temperature. The crystal habit is determined by two types of morphological faces, namely {100} and {111}. SEM was used for the observation of thermal etched surfaces. (orig.)

  7. Utilization of High-Temperature Slags From Metallurgy Based on Crystallization Behaviors

    Science.gov (United States)

    Sun, Yongqi; Zhang, Zuotai

    2018-05-01

    Here, following the principle of modifying crystallization behaviors, including avoidance and optimization, we review recent research on the utilization of hot slags. Because of the high-temperature property (1450-1650°C), the utilization of hot slags are much different from that of other wastes. We approach this issue from two main directions, namely, material recycling and heat utilization. From the respect of material recycling, the utilization of slags mainly follows total utilization and partial utilization, whereas the heat recovery from slags follows two main paths, namely, physical granulation and chemical reaction. The effective disposal of hot slags greatly depends on clarifying the crystallization behaviors, and thus, we discuss some optical techniques and their applicable scientific insights. For the purpose of crystallization avoidance, characterizing the glass-forming ability of slags is of great significance, whereas for crystallization modification, the selection of chemical additives and control of crystallization conditions comprise the central routes.

  8. Phase fragility and mechatronic reliability for Pb(Mg1/3Nb2/3O3–PbTiO3 ferroelectric single crystals — A review

    Directory of Open Access Journals (Sweden)

    F. Fang

    2014-01-01

    Full Text Available Single crystals of (1-xPb(Mg1/3Nb2/3O3–xPbTiO3(PMN–xPT near their morphotropic phase boundaries (MPBs are under extensive investigations for their extraordinary high dielectric and piezoelectric behavior. Applications of those single crystals facilitated the breakthrough in ultrasonic transducer materials and devices. Ferroelectric materials are known to be fragile which often leads to various reliability failures in applications involving electric loadings. In a mechanical sense, the failure modes concern the fracture under an intensive electric field, and the fatigue crack propagation under an alternating electric field. In an electrical sense, the failure is exhibited by degenerated hysteresis loop by shrinking the remnant polarization and expanding the coercive field. All these modes degrade the performance for ferroelectric devices. As a departure from the tetragonal (T ferroelectric materials, exemplified by BaTiO3 and Pb(ZrTiO3, the domain structures of PMN–PT around the MPB are versatile and intricate, depending sensitively on the composition variation, orientation and previous loading history. In this review, the attention is mainly focused on three aspects. First, the phase fragility and multiphase coexistence are presented for both [100]- and [101]-oriented PMN–PT single crystals. Second, investigations on electric field-induced fatigue crack propagation are described, along with the orientation effect on the crack propagation behavior. Third, the inverse effects of the phase transition and fatigue crack growth on the polarization behavior, or the interaction between the mechanical and electrical degradations will be elucidated. The review aims for better understanding the underlying mechanism for the ultrahigh performance of the PMN–PT single crystals, to bridge the studies of ferroelectric materials from the mechanical and electrical senses, as well as to evaluate the reliability of PMN–PT single crystals under device

  9. Measuring of nonlinearity of dye doped liquid crystals using of self phase modulation effect

    International Nuclear Information System (INIS)

    Abedi, M.; Jafari, A.; Tajalli, H.

    2007-01-01

    Self phase modulation in dye doped liquid crystals has investigated and the nonlinearity of dye doped liquid crystals is measured by this effect. The Self phase modulation effect can be used for producing optical micro rings that have many applications in photonics and laser industries.

  10. Thermodynamic studies on the ferroelectric phase transition in neutron irradiated (LixK1-x)2SO4 crystals at high temperature

    International Nuclear Information System (INIS)

    Kassem, M.E.; El-Khatib, A.M.; Ammar, E.A.; Denton, M.M.

    1989-05-01

    Thermodynamic studies of (Li x K 1-x ) 2 SO 4 , LKS, mixed crystals have been made in the concentration range (x=0.1,0.2,...,x=0.5). The thermal behavior has been investigated by differential thermal analysis, DTA, and differential scanning calorimeter, DSC, in the vicinity of high temperature phases. Also, the effect of the mixed neutron field of fast and thermal neutrons (10% of the reactor neutron pile is fast neutrons) on the thermal properties of mixed crystals was studied. The results showed a change in the transition temperature Tc, as well as the value of specific heat Cp at transition temperature, due to the change of stoichiometric ratio and radiation doses. The change of enthalpy and entropy of mixed crystals have been estimated numerically. The obtained small values of ΔS/R is characteristic of incommensurate phase transition as previously confirmed by the results of neutron diffraction technique. (author). 16 refs, 5 figs, 1 tab

  11. Modeling Nonlinear Elastic-plastic Behavior of RDX Single Crystals During Indentation

    Science.gov (United States)

    2012-01-01

    single crystals has also been probed using shock experiments (6, 12) and molecular dynamics simulations (12–14). RDX undergoes a polymorphic phase...Patterson, J.; Dreger, Z.; Gupta, Y. Shock-wave Induced Phase Transition in RDX Single Crystals. J. Phys. Chem. B 2007, 111, 10897–10904. 17. Bedrov, D...and Volume Compression of β - HMX and RDX . In Proc. Int. Symp. High Dynamic Pressures; Commissariat a l’Energie Atomique: Paris, 1978; pp 3–8. 24

  12. Liquid crystal blue phases: stability, field effects and alignment

    OpenAIRE

    Gleeson, HF; Miller, RJ; Tian, L; Görtz, V; Goodby, JW

    2015-01-01

    The blue phases are fascinating structures in liquid crystals, fluids that exhibit cubic structures that have true crystalline order. The blue phases were discovered in the 1970s and were the subject of extensive research in the 1980s, when a deep understanding of many of their properties was established. The discovery that the blue phases could be stabilised to exist over wide temperature ranges meant that they became more than scientific curiosities and led to a recent resurgence in researc...

  13. Crystal structure and elasticity of Al-bearing phase H under high pressure

    Directory of Open Access Journals (Sweden)

    Guiping Liu

    2018-05-01

    Full Text Available Al has significant effect on properties of minerals. We reported crystal structure and elasticity of phase H, an important potential water reservoir in the mantle, which contains different Al using first principles simulations for understanding the effect of Al on the phase H. The crystal and elastic properties of Al end-member phase H (Al2O4H2 are very different from Mg end-member (MgSiO4H2 phase H and two aluminous phase H (Mg0.875Si0.875Al0.25O4H2 (12.5at%Al and Mg0.75Si0.75Al0.5O4H2 (25at% Al. However differences between Mg end-member phase H and aluminous phase H are slight except for the O-H bond length and octahedron volume. Al located at different crystal positions (original Mg or Si position of aluminous phase H has different AlO6 octahedral volumes. For three Al-bearing phase H, bulk modulus (K, shear modulus (G, compressional wave velocity (Vp and shear wave velocity (Vs increase with increasing Al content. Under high pressure, density of phase H increases with increasing Al content. The Al content affects the symmetry of the phase H and then affects the density and elastic constants of phase H. The total ground energy of phase H also increases with increasing Al content. So an energy barrier for the formation of solid solution of phase H with δ-phase AlOOH is expected. However, if the phase H with δ-phase AlOOH solid solution does exit in the mantle, it may become an important component of the mantle or leads to a low velocity layer at the mantle.

  14. Ligand mediated synthesis of AgInSe2 nanoparticles with tetragonal/orthorhombic crystal phases

    International Nuclear Information System (INIS)

    Abazović, Nadica D.; Čomor, Mirjana I.; Mitrić, Miodrag N.; Piscopiello, Emanuela; Radetić, Tamara; Janković, Ivana A.; Nedeljković, Jovan M.

    2012-01-01

    Nanosized AgInSe 2 particles (d ∼ 7–25 nm) were synthesized using colloidal chemistry method at 270 °C. As solvents/surface ligands 1-octadecene, trioctylphosphine, and oleylamine were used. It was shown that choice of ligand has crucial impact not only on final crystal phase of nanoparticles, but also at mechanism of crystal growth. X-ray diffraction and TEM/HRTEM techniques were used to identify obtained crystal phases and to measure average size and shape of nanoparticles. UV/Vis data were used to estimate band-gap energies of obtained samples. It was shown that presented routes can provide synthesis of nanoparticles with desired crystal phase (tetragonal and/or orthorhombic), with band-gap energies in the range from 1.25 to 1.53 eV.

  15. Second-order phase transition at high-pressure in GeS crystal

    Energy Technology Data Exchange (ETDEWEB)

    Hashimzade, F.M.; Huseinova, D.A.; Jahangirli, Z.A.; Mehdiyev, B.H., E-mail: bachschi@yahoo.de

    2014-12-01

    In this paper we give a theoretical proof of the existence of a second-order structural phase transition in the GeS at a pressure of 35.4 GPa. We use the plane-wave pseudopotential approach to the density functional theory in the local density approximation. The evidence of the phase transition is the abrupt change in the bulk modulus as the volume of the unit cell of the crystal changes continuously. We show that the phase transition is caused by the softening of the low-frequency fully symmetric interlayer mode with increasing pressure. As a result, phase transition of a displacement type takes place with the change of translational symmetry of the crystal from the simple orthorhombic to the base-centered orthorhombic (P{sub bnm}(D{sub 2h}{sup 16})→C{sub mcm}(D{sub 2h}{sup 17}))

  16. Mechanical properties and crystallization behavior of hydroxyapatite/poly(butylenes succinate) composites.

    Science.gov (United States)

    Guo, Wenmin; Zhang, Yihe; Zhang, Wei

    2013-09-01

    Biodegradable synthetic polymers have attracted much attention nowadays, and more and more researches have been done on biodegradable polymers due to their excellent mechanical properties, biocompatibility, and biodegradability. In this work, hydroxyapatite (HA) particles were melt-mixing with poly (butylenes succinate) (PBS) to prepare the material, which could be used in the biomedical industry. To develop high-performance PBS for cryogenic engineering applications, it is necessary to investigate the cryogenic mechanical properties and crystallization behavior of HA/PBS composites. Cryogenic mechanical behaviors of the composites were studied in terms of tensile and impact strength at the glass transition temperature (-30°C) and compared to their corresponding behaviors at room temperature. With the increase of HA content, the crystallization of HA/PBS composites decreased and crystallization onset temperature shifted to a lower temperature. The diameter of spherulites increased at first and decreased with a further HA content. At the same time, the crystallization rate became slow when the HA content was no more than 15wt% and increased when HA content reached 20wt%. In all, the results we obtained demonstrate that HA/PBS composites reveal a better tensile strength at -30°C in contrast to the strength at room temperature. HA particles with different amount affect the crystallization of PBS in different ways. Copyright © 2013 Wiley Periodicals, Inc.

  17. A Navier-Stokes phase-field crystal model for colloidal suspensions.

    Science.gov (United States)

    Praetorius, Simon; Voigt, Axel

    2015-04-21

    We develop a fully continuous model for colloidal suspensions with hydrodynamic interactions. The Navier-Stokes Phase-Field Crystal model combines ideas of dynamic density functional theory with particulate flow approaches and is derived in detail and related to other dynamic density functional theory approaches with hydrodynamic interactions. The derived system is numerically solved using adaptive finite elements and is used to analyze colloidal crystallization in flowing environments demonstrating a strong coupling in both directions between the crystal shape and the flow field. We further validate the model against other computational approaches for particulate flow systems for various colloidal sedimentation problems.

  18. Pulsed Traveling-wave Quadrature Squeezing Using Quasi-phase Matched Lithium Niobate Crystals

    Science.gov (United States)

    Chen, Chao-Hsiang

    Interests in generating higher quantum noise squeezing in order to develop methods to enhance optical measurement below the shot-noise limit in various applications has grown in recent years. The noise suppression from squeezing can improve the SNR in coherent optical systems when the returning signal power is weak, such as optical coherence tomography, LADAR, confocal microscopy and low-light coherent imaging. Unlike the generation of squeezing with a continuous wave, which is currently developed mainly for gravitational wave detection in LIGO project, the study of pulsed-traveling waves is focused on industrial, medical and other commercial interests. This dissertation presents the experimental results of pulsed traveling wave squeezing. The intention of the study is to explore the possibility of using quasi-phase matched crystals to generate the highest possible degree of quadrature squeezing. In order to achieve this goal, efforts to test the various effects from spatial Gaussian modes and relative beam waist placement for the second-harmonic pump were carried out in order to further the understanding of limiting factors to pulsed traveling wave squeezing. 20mm and 30mm-long periodically poled lithium noibate (PPLN) crystals were used in the experiment to generate a squeezed vacuum state. A maximum of 4.2+/-0.2dB quadrature squeezing has been observed, and the measured anti-squeezing exceeds 20dB.The phase sensitive amplification (PSA) gain and de-gain performance were also measured to compare the results of measured squeezing. The PPLN crystals can produce high conversion efficiency of second-harmonic generation (SHG) without a cavity. When a long PPLN crystal is used in a squeezer, the beam propagation in the nonlinear medium does not follow the characteristics in thin crystals. Instead, it is operated under the long-crystal criteria, which the crystal length is multiple times longer than the Rayleigh range of the injected beam i n the crystals. Quasi-phase

  19. Effect of martensitic phase transformation on the behavior of 304 austenitic stainless steel under tension

    Energy Technology Data Exchange (ETDEWEB)

    Wang, H., E-mail: wanghm@lanl.gov [Materials Science and Technology, Los Alamos National Laboratory, Los Alamos, NM (United States); Jeong, Y. [Materials Science and Engineering Division, National Institute of Standards and Technology, Gaithersburg, MD (United States); Clausen, B.; Liu, Y.; McCabe, R.J. [Materials Science and Technology, Los Alamos National Laboratory, Los Alamos, NM (United States); Barlat, F. [Graduate Institute of Ferrous Technology, POSTECH (Korea, Republic of); Tomé, C.N. [Materials Science and Technology, Los Alamos National Laboratory, Los Alamos, NM (United States)

    2016-01-01

    The present work integrates in-situ neutron diffraction, electron backscatter diffraction and crystal plasticity modeling to investigate the effect of martensitic phase transformation on the behavior of 304 stainless steel under uniaxial tension. The macroscopic stress strain response, evolution of the martensitic phase fraction, texture evolution of each individual phase, and internal elastic strains were measured at room temperature and at 75 °C. Because no martensitic transformation was observed at 75 °C, the experimental results at 75 °C were used as a reference to quantify the effect of formed martensitic phase on the behavior of 304 stainless steel at room temperature. A crystallographic phase transformation model was implemented into an elastic–viscoplastic self-consistent framework. The phase transformation model captured the macroscopic stress strain response, plus the texture and volume fraction evolution of austenite and martensite. The model also predicts the internal elastic strain evolution with loading in the austenite, but not in the martensite. The results of this work highlight the mechanisms that control phase transformation and the sensitivity of modeling results to them, and point out to critical elements that still need to be incorporated into crystallographic phase transformation models to accurately describe the internal strain evolution during phase transformation.

  20. Synthesis and crystal structure of the first Sc-Nb-O-N phases

    Energy Technology Data Exchange (ETDEWEB)

    Orthmann, Steven; Lerch, Martin [Institut fuer Chemie, Technische Universitaet Berlin (Germany)

    2017-11-17

    Synthesis of phase-pure materials in the system Sc-Nb-O-N is challenging. In this contribution we report on the preparation of the first scandium niobium oxide nitrides via reaction of water-saturated gaseous ammonia or an ammonia-oxygen mixture with amorphous scandium niobium oxides. Two new phases were obtained: rutile-type ScNb{sub 4}O{sub 7}N{sub 3}, which crystallizes in space group P4{sub 2}/mnm, and an anion-deficient fluorite-type Sc{sub 2}Nb(O,N,⬜){sub 6} phase crystallizing in space group Fm anti 3m. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  1. Effect of solvent on crystallization behavior of xylitol

    Science.gov (United States)

    Hao, Hongxun; Hou, Baohong; Wang, Jing-Kang; Lin, Guangyu

    2006-04-01

    Effect of organic solvents content on crystallization behavior of xylitol was studied. Solubility and crystallization kinetics of xylitol in methanol-water system were experimentally determined. It was found that the solubility of xylitol at various methanol content all increases with increase of temperature. But it decreases when increasing methanol content at constant temperature. Based on the theory of population balance, the nucleation and growth rates of xylitol in methanol-water mixed solvents were calculated by moments method. From a series of experimental population density data of xylitol gotten from a batch-operated crystallizer, parameters of crystal nucleation and growth rate equations at different methanol content were got by the method of nonlinear least-squares. By analyzing, it was found that the content of methanol had an apparent effect on nucleation and growth rate of xylitol. At constant temperature, the nucleation and growth rate of xylitol all decrease with increase of methanol content.

  2. Crystallization Mechanism and Phase Transition Properties of W-doped VO2 Synthesized by Hydrothermal Method

    Directory of Open Access Journals (Sweden)

    LI Yao

    2017-11-01

    Full Text Available VO2 sol was firstly prepared using vanadyl sulfate as a vanadium source by precipitation-peptization method. Then tungsten(W doping vanadium dioxide(W-VO2 was prepared by hydrothermal crystallization of prepared sol with the presence of ammonium metatungstate. The morphologies, crystal structure of the as-prepared samples and phase transition properties were studied by X-ray diffraction(XRD, field emission scanning electron microscope(FESEMand differential scanning calorimetry(DSC analysis. The results indicate that rod-like W-VO2(B crystal with length of 1-2μm and radius of 100-200nm is firstly formed during hydrothermal treatment for 4-48h at 280℃, then the rod-like crystal dissolves gradually and sheet-like or snowflake-like crystal is formed with the phase transition from W-VO2(B to W-VO2(M and eventually, the W-VO2(M crystals can further grow up while the W-VO2(B gradually dissolves; the phase transition temperature of VO2 decreases with the increase in W doping content, and the phase transition temperature of W-VO2(M reduces to about 28℃ when the nominal dopant concentration is 6.0%(atom fraction.The "nucleation-growth-transformation-ripening" mechanism is proposed as the formation mechanism based on the hydrothermal crystallization and morphological evolution process of W-VO2(M.

  3. Crystallization features of normal alkanes in confined geometry.

    Science.gov (United States)

    Su, Yunlan; Liu, Guoming; Xie, Baoquan; Fu, Dongsheng; Wang, Dujin

    2014-01-21

    How polymers crystallize can greatly affect their thermal and mechanical properties, which influence the practical applications of these materials. Polymeric materials, such as block copolymers, graft polymers, and polymer blends, have complex molecular structures. Due to the multiple hierarchical structures and different size domains in polymer systems, confined hard environments for polymer crystallization exist widely in these materials. The confined geometry is closely related to both the phase metastability and lifetime of polymer. This affects the phase miscibility, microphase separation, and crystallization behaviors and determines both the performance of polymer materials and how easily these materials can be processed. Furthermore, the size effect of metastable states needs to be clarified in polymers. However, scientists find it difficult to propose a quantitative formula to describe the transition dynamics of metastable states in these complex systems. Normal alkanes [CnH2n+2, n-alkanes], especially linear saturated hydrocarbons, can provide a well-defined model system for studying the complex crystallization behaviors of polymer materials, surfactants, and lipids. Therefore, a deeper investigation of normal alkane phase behavior in confinement will help scientists to understand the crystalline phase transition and ultimate properties of many polymeric materials, especially polyolefins. In this Account, we provide an in-depth look at the research concerning the confined crystallization behavior of n-alkanes and binary mixtures in microcapsules by our laboratory and others. Since 2006, our group has developed a technique for synthesizing nearly monodispersed n-alkane containing microcapsules with controllable size and surface porous morphology. We applied an in situ polymerization method, using melamine-formaldehyde resin as shell material and nonionic surfactants as emulsifiers. The solid shell of microcapsules can provide a stable three-dimensional (3-D

  4. Size-dependent and tunable crystallization of GeSbTe phase-change nanoparticles

    Science.gov (United States)

    Chen, Bin; Ten Brink, Gert H.; Palasantzas, George; Kooi, Bart J.

    2016-12-01

    Chalcogenide-based nanostructured phase-change materials (PCMs) are considered promising building blocks for non-volatile memory due to their high write and read speeds, high data-storage density, and low power consumption. Top-down fabrication of PCM nanoparticles (NPs), however, often results in damage and deterioration of their useful properties. Gas-phase condensation based on magnetron sputtering offers an attractive and straightforward solution to continuously down-scale the PCMs into sub-lithographic sizes. Here we unprecedentedly present the size dependence of crystallization for Ge2Sb2Te5 (GST) NPs, whose production is currently highly challenging for chemical synthesis or top-down fabrication. Both amorphous and crystalline NPs have been produced with excellent size and composition control with average diameters varying between 8 and 17 nm. The size-dependent crystallization of these NPs was carefully analyzed through in-situ heating in a transmission electron microscope, where the crystallization temperatures (Tc) decrease when the NPs become smaller. Moreover, methane incorporation has been observed as an effective method to enhance the amorphous phase stability of the NPs. This work therefore elucidates that GST NPs synthesized by gas-phase condensation with tailored properties are promising alternatives in designing phase-change memories constrained by optical lithography limitations.

  5. Scattering phase functions of horizontally oriented hexagonal ice crystals

    International Nuclear Information System (INIS)

    Chen Guang; Yang Ping; Kattawar, George W.; Mishchenko, Michael I.

    2006-01-01

    Finite-difference time domain (FDTD) solutions are first compared with the corresponding T-matrix results for light scattering by circular cylinders with specific orientations. The FDTD method is then utilized to study the scattering properties of horizontally oriented hexagonal ice plates at two wavelengths, 0.55 and 12 μm. The phase functions of horizontally oriented ice plates deviate substantially from their counterparts obtained for randomly oriented particles. Furthermore, we compute the phase functions of horizontally oriented ice crystal columns by using the FDTD method along with two schemes for averaging over the particle orientations. It is shown that the phase functions of hexagonal ice columns with horizontal orientations are not sensitive to the rotation about the principal axes of the particles. Moreover, hexagonal ice crystals and circular cylindrical ice particles have similar optical properties, particularly, at a strongly absorbing wavelength, if the two particle geometries have the same length and aspect ratio defined as the ratio of the radius or semi-width of the cross section of a particle to its length. The phase functions for the two particle geometries are slightly different in the case of weakly absorbing plates with large aspect ratios. However, the solutions for circular cylinders agree well with their counterparts for hexagonal columns

  6. Salts and Co-crystals of Theobromine and their phase ...

    Indian Academy of Sciences (India)

    Co-crystal; dissolution; phase transformation; salts; solubility; stability; synthon. ... Salts of theobromine with hydrochloric acid, phosphoric acid, methanesulfonic acid, benzenesulfonic acid and -toluenesulfonic acid were prepared using ... C. R. Rao Road, Gachibowli, Central University P.O., Hyderabad 500 046, India ...

  7. Dependence of magnetization on crystal fields and exchange interactions in magnetite

    Energy Technology Data Exchange (ETDEWEB)

    Ouaissa, Mohamed, E-mail: m.ouaissa@yahoo.fr [Laboratoire de Génie Physique et Environnement, Faculté des Sciences, Université Ibn Tofail, Campus Universitaire BP 133, Kénitra 14000 (Morocco); Benyoussef, Abdelilah [Laboratory of Magnetism and Physics of High Energy, Faculty of Science, Mohammed V-Agdal University, Rabat (Morocco); Abo, Gavin S. [Department of Electrical and Computer Engineering and MINT Center, The University of Alabama, Tuscaloosa, AL 35487 (United States); Ouaissa, Samia; Hafid, Mustapha [Laboratoire de Génie Physique et Environnement, Faculté des Sciences, Université Ibn Tofail, Campus Universitaire BP 133, Kénitra 14000 (Morocco); Belaiche, Mohammed [Laboratoire de Magnétisme, Matériaux Magnétiques, Microonde et Céramique, Ecole Normale Supérieure, Université Mohammed V-Agdal, B.P. 9235, Océan, Rabat (Morocco)

    2015-11-15

    In this work, we study the magnetization of magnetite (Fe{sub 3}O{sub 4}) with different exchange interactions and crystal fields using variational method based on the Bogoliubov inequality for the Gibbs free energy within the mean field theory. The magnetic behavior was investigated in the absence and presence of crystal fields. The investigations also revealed that the transition temperature depends on the crystal fields of the octahedral and tetrahedral sites. Magnetite exhibits ferrimagnetic phase with second order transition to paramagnetic phase at 850 K. This result is confirmed using the mean field theory within the Heisenberg model. Important factors that can affect the magnetic behavior of the system are exchange interactions and crystal field. Indeed, a new magnetic behavior was observed depending on these parameters. A first order phase transition from ferrimagnetic to ferromagnetic was found at low temperature, and a second order transition from ferromagnetic to paramagnetic was observed at high temperature. - Highlights: • Magnetization of magnetite versus temperature was studied by mean field theory. • The critical temperature of magnetite (Fe{sub 3}O{sub 4}) was approximately obtained. • Effect of sublattice crystal fields on the magnetization of Fe{sub 3}O{sub 4} was investigated.

  8. Report of the specialists' workshop on phase transition studies on hydrogen-bonded crystals by neutron and X-ray diffractometries

    International Nuclear Information System (INIS)

    Tokunaga, M.; Shibuya, I.

    1989-01-01

    The report carries a total of 15 studies on hydrogen-bonded crystals made by means of neutron/X-ray diffraction which were presented at a technical study meeting held on December 12 and 13, 1988, at the Research Reactor Institute of Kyoto University. The report covers 'introduction', 'linear relation between transition temperature and hydrogen-bond length in KDP type crystals', 'X-ray study of crystal structure under high pressure in DKDP', 'crystal structure of ADP in the paraelectric phase', 'crystal structure of Rochelle salt in the paraelectric phase', 'distortion of AsO 4 in KDA', 'study of phase transition in KDP family by dielectric dispersion', 'dielectric relaxation and phase transition in ice Ih', 'Raman scattering study of KDP', 'mechanism of phase transition in KDP by Raman scattering study under high pressure-reinvestigation of the Peercy's conclusion', 'localized modes of proton in KDP', 'hyper-Raman scattering study of hydrogen-bonded crystals', 'phase transition of CDP', 'the 180deg law in phase diagram', and 'comments'. (N.K.)

  9. Phase relations study on the melting and crystallization regions of the Bi-2223 high temperature superconductor

    Directory of Open Access Journals (Sweden)

    Alexander Polasek

    2004-09-01

    Full Text Available The melting and solidification behavior of Bi2Sr2Ca2Cu3 O10 (Bi-2223 precursors has been studied. Nominal compositions corresponding to excess of liquid, Ca2CuO3 and CuO have been investigated. Each sample was made by packing a precursor powder into a silver crucible, in order to approximately simulate the situation found in 2223 silver-sheathed tapes. The samples were partially melted and then slow-cooled, being quenched from different temperatures and analyzed through X-ray diffraction (XRD and scanning electron microscopy (SEM/EDS. The precursors decomposed peritectically during melting, forming liquid and solid phases. Very long plates with compositions falling in the vicinity of the 2223 primary phase field formed upon slow-cooling. The 2223 phase may have been formed and the results suggest that long grains of this phase might be obtained by melting and crystallization if the exact peritectic region and the optimum processing conditions are found.

  10. In-situ phase transition from microemulsion to liquid crystal with the potential of prolonged parenteral drug delivery.

    Science.gov (United States)

    Ren, Xiazhong; Svirskis, Darren; Alany, Raid G; Zargar-Shoshtari, Sara; Wu, Zimei

    2012-07-15

    This study is the first to investigate and demonstrate the potential of microemulsions (MEs) for sustained release parenteral drug delivery, due to phase transition behavior in aqueous environments. Phase diagrams were constructed with Miglyol 812N oil and a blend of (co)surfactants Solutol HS 15 and Span 80 with ethanol. Liquid crystal (LC) and coarse emulsion (CE) regions were found adjacent to the ME region in the water-rich corner of the phase diagram. Two formulations were selected, a LC-forming ME and a CE-forming ME and each were investigated with respect to their rheology, particle size, drug release profiles and particularly, the phase transition behavior. The spreadability in an aqueous environment was determined and release profiles from MEs were generated with gamma-scintigraphy. The CE-forming ME dispersed readily in an aqueous environment, whereas the LC-forming ME remained in a contracted region possibly due to the transition of ME to LC at the water/ME interface. Gamma-scintigraphy showed that the LC-forming ME had minimal spreadability and a slow release of (99m)Tc in the first-order manner, suggesting phase conversion at the interface. In conclusion, owing to the potential of phase transition, LC-forming MEs could be used as extravascular injectable drug delivery vehicles for prolonged drug release. Copyright © 2012 Elsevier B.V. All rights reserved.

  11. UHMW Ziegler–Natta polyethylene: Synthesis, crystallization, and melt behavior

    KAUST Repository

    Atiqullah, Muhammad

    2017-04-26

    The fabrication of normal and UHMW PE end-products involves melting and crystallization of the polymer. Therefore, the melt behavior and crystallization of as-synthesized UHMW PE, and NMW PE and E-1-hexene copolymer have been studied using a new nonisothermal crystallization model, Flory\\'s equilibrium theory and ethylene sequence length distribution concept (SLD), Gibbs–Thompson equation, and DSC experiments. By using this approach, the effects of MW, 1-hexene incorporation, ethylene SLD, the level of undercooling θ, and crystal surface free energy D on crystallite stability, relative crystallinity α, instantaneous crystallinity χ, the crystallization kinetic triplet, crystallization entropy, and lamellar thickness distribution (LTD) have been evaluated. Consequently, this study reports insightful new results, interpretations, and explanations regarding the melting and crystallization of the aforementioned polymers. The UHMW PE results significantly differ from the NMW PE and E-1-hexene copolymer ones. Ethylene sequences shorter than the so called minimum crystallizable ethylene sequence length, irrespective of E-1-hexene copolymer MW, can also crystallize. Additionally, the polymer preparation shows that the catalyst coordination environment and symmetry, as well as achiral ethylene versus prochiral α-olefin steric encumbrance and competitive diffusion affect the synthesis of UHMW PE, particularly the corresponding UHMW copolymers.

  12. Comparison of optical transients during the picosecond laser pulse-induced crystallization of GeSbTe and AgInSbTe phase-change thin films: Nucleation-driven versus growth-driven processes

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Guangfei [Key Laboratory of High Power Laser Materials, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China); Li, Simian [State Key Laboratory of Optoelectronic Materials and Technology, Department of Physics, Sun Yat-Sen University, Guangzhou 510275 (China); Huang, Huan [Key Laboratory of High Power Laser Materials, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China); Wang, Yang, E-mail: ywang@siom.ac.cn [Key Laboratory of High Power Laser Materials, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China); Lai, Tianshu, E-mail: stslts@mail.sysu.edu.cn [State Key Laboratory of Optoelectronic Materials and Technology, Department of Physics, Sun Yat-Sen University, Guangzhou 510275 (China); Wu, Yiqun [Key Laboratory of High Power Laser Materials, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China)

    2013-09-01

    Direct comparison of the real-time in-situ crystallization behavior of as-deposited amorphous Ge{sub 2}Sb{sub 2}Te{sub 5} (GeSbTe) and Ag{sub 8}In{sub 14}Sb{sub 55}Te{sub 23} (AgInSbTe) phase-change thin films driven by picosecond laser pulses was performed by a time-resolved optical pump-probe technique with nanosecond resolution. Different optical transients showed various crystallization processes because of the dissimilar nucleation- and growth-dominated mechanisms of the two materials. The effects of laser pulse fluence, thermal conductive structure, and successive pulse irradiation on their crystallization dynamics were also discussed. A schematic was then established to describe the different crystallization processes beginning from the as-deposited amorphous state. The results may provide further insight into the phase-change mechanism under extra-non-equilibrium conditions and aid the development of ultrafast phase-change memory materials.

  13. Ab initio molecular crystal structures, spectra, and phase diagrams.

    Science.gov (United States)

    Hirata, So; Gilliard, Kandis; He, Xiao; Li, Jinjin; Sode, Olaseni

    2014-09-16

    Conspectus Molecular crystals are chemists' solids in the sense that their structures and properties can be understood in terms of those of the constituent molecules merely perturbed by a crystalline environment. They form a large and important class of solids including ices of atmospheric species, drugs, explosives, and even some organic optoelectronic materials and supramolecular assemblies. Recently, surprisingly simple yet extremely efficient, versatile, easily implemented, and systematically accurate electronic structure methods for molecular crystals have been developed. The methods, collectively referred to as the embedded-fragment scheme, divide a crystal into monomers and overlapping dimers and apply modern molecular electronic structure methods and software to these fragments of the crystal that are embedded in a self-consistently determined crystalline electrostatic field. They enable facile applications of accurate but otherwise prohibitively expensive ab initio molecular orbital theories such as Møller-Plesset perturbation and coupled-cluster theories to a broad range of properties of solids such as internal energies, enthalpies, structures, equation of state, phonon dispersion curves and density of states, infrared and Raman spectra (including band intensities and sometimes anharmonic effects), inelastic neutron scattering spectra, heat capacities, Gibbs energies, and phase diagrams, while accounting for many-body electrostatic (namely, induction or polarization) effects as well as two-body exchange and dispersion interactions from first principles. They can fundamentally alter the role of computing in the studies of molecular crystals in the same way ab initio molecular orbital theories have transformed research practices in gas-phase physical chemistry and synthetic chemistry in the last half century. In this Account, after a brief summary of formalisms and algorithms, we discuss applications of these methods performed in our group as compelling

  14. Phase-Shifting Liquid Crystal Interferometers for Microgravity Fluid Physics

    Science.gov (United States)

    Griffin, DeVon W.; Marshall, Keneth L.

    2002-01-01

    The initial focus of this project was to eliminate both of these problems in the Liquid Crystal Point-Diffraction Interferometer (LCPDI). Progress toward that goal will be described, along with the demonstration of a phase shifting Liquid Crystal Shearing Interferometer (LCSI) that was developed as part of this work. The latest LCPDI, other than a lens to focus the light from a test section onto a diffracting microsphere within the interferometer and a collimated laser for illumination, the pink region contained within the glass plates on the rod-mounted platform is the complete interferometer. The total width is approximately 1.5 inches with 0.25 inches on each side for bonding the electrical leads. It is 1 inch high and there are only four diffracting microspheres within the interferometer. As a result, it is very easy to align, achieving the first goal. The liquid crystal electro-optical response time is a function of layer thickness, with thinner devices switching faster due to a reduction in long-range viscoelastic forces between the LC molecules. The LCPDI has a liquid crystal layer thickness of 10 microns, which is controlled by plastic or glass microspheres embedded in epoxy 'pads' at the corners of the device. The diffracting spheres are composed of polystyrene/divinyl benzene polymer with an initial diameter of 15 microns. The spheres deform slightly when the interferometer is assembled to conform to the spacing produced by the microsphere-filled epoxy spacer pads. While the speed of this interferometer has not yet been tested, previous LCPDIs fabricated at the Laboratory for Laser Energetics switched at a rate of approximately 3.3 Hz, a factor of 10 slower than desired. We anticipate better performance when the speed of these interferometers is tested since they are approximately three times thinner. Phase shifting in these devices is a function of the AC voltage level applied to the liquid crystal. As the voltage increases, the dye in the liquid crystal

  15. 2D director calculation for liquid crystal optical phased array

    International Nuclear Information System (INIS)

    Xu, L; Zhang, J; Wu, L Y

    2005-01-01

    A practical numerical model for a liquid crystal cell is set up based on the geometrical structure of liquid crystal optical phased arrays. Model parameters include width and space of electrodes, thickness of liquid crystal layer, alignment layers and glass substrates, pre-tilted angles, dielectric constants, elastic constants and so on. According to electrostatic field theory and Frank-Oseen elastic continuum theory, 2D electric potential distribution and 2D director distribution are calculated by means of the finite difference method on non-uniform grids. The influence of cell sizes on director distribution is analyzed. The fringe field effect between electrodes is also discussed

  16. Comparison of measured and computed phase functions of individual tropospheric ice crystals

    International Nuclear Information System (INIS)

    Stegmann, Patrick G.; Tropea, Cameron; Järvinen, Emma; Schnaiter, Martin

    2016-01-01

    Airplanes passing the incuda (lat. anvils) regions of tropical cumulonimbi-clouds are at risk of suffering an engine power-loss event and engine damage due to ice ingestion (Mason et al., 2006 [1]). Research in this field relies on optical measurement methods to characterize ice crystals; however the design and implementation of such methods presently suffer from the lack of reliable and efficient means of predicting the light scattering from ice crystals. The nascent discipline of direct measurement of phase functions of ice crystals in conjunction with particle imaging and forward modelling through geometrical optics derivative- and Transition matrix-codes for the first time allow us to obtain a deeper understanding of the optical properties of real tropospheric ice crystals. In this manuscript, a sample phase function obtained via the Particle Habit Imaging and Polar Scattering (PHIPS) probe during a measurement campaign in flight over Brazil will be compared to three different light scattering codes. This includes a newly developed first order geometrical optics code taking into account the influence of the Gaussian beam illumination used in the PHIPS device, as well as the reference ray tracing code of Macke and the T-matrix code of Kahnert. - Highlights: • A GO code for shaped beams and non-spherical particles has been developed. • The code has been validated against exact Mie results. • Measured and computed phase functions for a single ice crystal have been compared. • The comparison highlights differences in the backscattering region.

  17. Effect of three-body forces on the phase behavior of charged colloids

    International Nuclear Information System (INIS)

    Wu, J. Z.; Bratko, D.; Blanch, H. W.; Prausnitz, J. M.

    2000-01-01

    Statistical-thermodynamic theory for predicting the phase behavior of a colloidal solution requires the pair interaction potential between colloidal particles in solution. In practice, it is necessary to assume pairwise additivity for the potential of mean force between colloidal particles, but little is known concerning the validity of this assumption. This paper concerns interaction between small charged colloids, such as surfactant micelles or globular proteins, in electrolyte solutions and the multibody effect on phase behavior. Monte Carlo simulations for isolated colloidal triplets in equilateral configurations show that, while the three-body force is repulsive when the three particles are near contact, it becomes short-ranged attractive at further separations, contrary to a previous study where the triplet force is attractive at all separations. The three-body force arises mainly from hard-sphere collisions between colloids and small ions; it is most significant in solutions of monovalent salt at low concentration where charged colloids experience strong electrostatic interactions. To illustrate the effect of three-body forces on the phase behavior of charged colloids, we calculated the densities of coexisting phases using van der Waals-type theories for colloidal solutions and for crystals. For the conditions investigated in this work, even though the magnitude of the three-body force may be as large as 10% of the total force at small separations, three-body forces do not have a major effect on the densities of binary coexisting phases. However, coexisting densities calculated using Derjaguin-Landau-Verwey-Overbeek theory are much different from those calculated using our simulated potential of mean force. (c) 2000 American Institute of Physics

  18. Low temperature phase of the trigonal RbIn(MoO4)2 crystal

    Science.gov (United States)

    Zapart, W.; Zapart, M. B.; Schranz, W.; Reinecker, M.

    2013-02-01

    The present article is devoted to a new low-temperature phase transition found at about T pt = 84 K in the layered RbIn(MoO4)2 crystal. This phase transition is well proved by dynamical mechanical analysis through anomalies in the temperature behaviour of both real and imaginary parts of the Young's modulus. From the polarizing microscope observations it was found that below T pt the ferroelastic phase disappears. This transition has also been seen through strong changes in the shape of the electron paramagnetic resonance lines. EPR studies, performed in the liquid nitrogen temperature, yield evidence of strong rebuilding of the crystal unit cell in comparison with that of the high temperature paraelastic phase.

  19. Slit and phase grating diffraction with a double crystal diffractometer

    International Nuclear Information System (INIS)

    Treimer, Wolfgang; Hilger, Andre; Strobl, Markus

    2006-01-01

    The lateral coherence properties of a neutron beam (λ=0.5248nm) in a double crystal diffractometer (DCD) were studied by means of single slit diffraction and by diffraction by different perfect Silicon phase gratings. Perfect agreements were found for the lateral coherence length measured with the slit and for the one determined by Silicon phase gratings, however, some peculiarities are still present

  20. Influence of fat crystals in the oil phase on stability of oil-in-water emulsions

    NARCIS (Netherlands)

    Boekel, van M.A.J.S.

    1980-01-01

    Coalescence at rest and during flow was studied in emulsions of paraffin oil in water with several surfactants and with crystals of solid paraffin or tristearate in the oil phase. Solid fat in the oil phase was estimated by pulsed nuclear magnetic resonance. Without crystals, oil-in-water emulsions

  1. Crystal phase-based epitaxial growth of hybrid noble metal nanostructures on 4H/fcc Au nanowires

    Science.gov (United States)

    Lu, Qipeng; Wang, An-Liang; Gong, Yue; Hao, Wei; Cheng, Hongfei; Chen, Junze; Li, Bing; Yang, Nailiang; Niu, Wenxin; Wang, Jie; Yu, Yifu; Zhang, Xiao; Chen, Ye; Fan, Zhanxi; Wu, Xue-Jun; Chen, Jinping; Luo, Jun; Li, Shuzhou; Gu, Lin; Zhang, Hua

    2018-03-01

    Crystal-phase engineering offers opportunities for the rational design and synthesis of noble metal nanomaterials with unusual crystal phases that normally do not exist in bulk materials. However, it remains a challenge to use these materials as seeds to construct heterometallic nanostructures with desired crystal phases and morphologies for promising applications such as catalysis. Here, we report a strategy for the synthesis of binary and ternary hybrid noble metal nanostructures. Our synthesized crystal-phase heterostructured 4H/fcc Au nanowires enable the epitaxial growth of Ru nanorods on the 4H phase and fcc-twin boundary in Au nanowires, resulting in hybrid Au-Ru nanowires. Moreover, the method can be extended to the epitaxial growth of Rh, Ru-Rh and Ru-Pt nanorods on the 4H/fcc Au nanowires to form unique hybrid nanowires. Importantly, the Au-Ru hybrid nanowires with tunable compositions exhibit excellent electrocatalytic performance towards the hydrogen evolution reaction in alkaline media.

  2. Active phase double crystal monochromator for JET (diagnostic system KS1)

    International Nuclear Information System (INIS)

    Andelfinger, C.; Fink, J.; Fussmann, G.; Krause, H.; Roehr, H.; Schilling, H.B.; Schumacher, U.; Becker, P.; Siegert, H.; Abel, P.; Keul, J.

    1984-03-01

    The determination of the impurity concentrations in JET plasmas by absolute radiation measurements in a wide spectral range can be done with a double crystal monochromator device in parallel mode, which is able to operate during all experimental phases of JET. The report describes the engineering design and tests for a double crystal monochromator that fulfills the conditions of parallel orientation of the two crystals during fast wavelength scan, of shielding against neutrons and gamma rays by its folded optical pathway and of sufficient spectral resolution for line profile measurements. (orig.)

  3. Study of phase separation and crystallization phenomena in soda-lime borosilicate glass enriched in MoO3

    International Nuclear Information System (INIS)

    Magnin, M.

    2009-09-01

    Molybdenum oxide immobilization (MoO 3 , as fission product) is one of the major challenges in the nuclear glass formulation issues for high level waste solutions conditioning since many years, these solutions arising from spent nuclear fuel reprocessing. Phase separation and crystallisation processes may arise in molten glass when the MoO 3 content is higher than its solubility limit that may depend on glass composition. Molybdenum combined with other elements such as alkali and alkaline-earth may form crystalline molybdates, known as 'yellow phases' in nuclear glasses which may decrease the glass durability. In order to confine high level wastes (HLW) such as the fission product solutions arising from the reprocessing of high burn-up UOX-type nuclear spent fuels, a new glass composition (HLW glass) is being optimized. This work is devoted to the study of the origin and the mechanism of phase separation and crystallization phenomena induced by molybdenum oxide incorporation in the HLW glass. From microstructural and structural point of view, the molybdenum oxide behavior was studied in glass compositions belonging to the SiO 2 -B 2 O 3 - Na 2 O-CaO simplified system which constituted basis for the HLW glass formulation. The structural role of molybdenum oxide in borosilicate network explaining the phase separation and crystallization tendency was studied through the coupling of structural ( 95 Mo, 29 Si, 11 B, 23 Na MAS NMR, XRD) and microstructural (SEM, HRTEM) analysis techniques. The determination of phase separation (critical temperature) and crystallization (liquidus temperature) appearance temperatures by in situ viscosimetry and Raman spectroscopy experiments allowed us to propose a transformation scenario during melt cooling. These processes and the nature of the crystalline phases formed (CaMoO 4 , Na 2 MoO 4 ) that depend on the evolution of MoO 3 , CaO and B 2 O 3 contents were correlated with changes of sodium and calcium cations proportions in the

  4. Crystallization of Na2O-SiO2 gel and glass

    Science.gov (United States)

    Neilson, G. F.; Weinberg, M. C.

    1984-01-01

    The crystallization behavior of a 19 wt pct soda silica gel and gel-derived glass was compared to that of the ordinary glass of the same composition. Both bulk and ground glass samples were utilized. X-ray diffraction measurements were made to identify the crystalline phases and gauge the extent of crystallization. It was found that the gel crystallized in a distinctive manner, while the gel glass behavior was not qualitatively different from that of the ordinary glass.

  5. High-pressure behavior of intermediate scapolite: compressibility, structure deformation and phase transition

    Science.gov (United States)

    Lotti, Paolo; Comboni, Davide; Merlini, Marco; Hanfland, Michael

    2018-05-01

    Scapolites are common volatile-bearing minerals in metamorphic rocks. In this study, the high-pressure behavior of an intermediate member of the scapolite solid solution series (Me47), chemical formula (Na1.86Ca1.86K0.23Fe0.01)(Al4.36Si7.64)O24[Cl0.48(CO3)0.48(SO4)0.01], has been investigated up to 17.79 GPa, by means of in situ single-crystal synchrotron X-ray diffraction. The isothermal elastic behavior of the studied scapolite has been described by a III-order Birch-Murnaghan equation of state, which provided the following refined parameters: V 0 = 1110.6(7) Å3, {K_{{V_0}}} = 70(2) GPa ({β _{{V_0}}} = 0.0143(4) GPa-1) and {K_{{V}}^' = 4.8(7). The refined bulk modulus is intermediate between those previously reported for Me17 and Me68 scapolite samples, confirming that the bulk compressibility among the solid solution increases with the Na content. A discussion on the P-induced structure deformation mechanisms of tetragonal scapolite at the atomic scale is provided, along with the implications of the reported results for the modeling of scapolite stability. In addition, a single-crystal to single-crystal phase transition, which is displacive in character, has been observed toward a triclinic polymorph at 9.87 GPa. The high-pressure triclinic polymorph was found to be stable up to the highest pressure investigated.

  6. Quasi-Phase Diagrams at Air/Oil Interfaces and Bulk Oil Phases for Crystallization of Small-Molecular Semiconductors by Adjusting Gibbs Adsorption.

    Science.gov (United States)

    Watanabe, Satoshi; Ohta, Takahisa; Urata, Ryota; Sato, Tetsuya; Takaishi, Kazuto; Uchiyama, Masanobu; Aoyama, Tetsuya; Kunitake, Masashi

    2017-09-12

    The temperature and concentration dependencies of the crystallization of two small-molecular semiconductors were clarified by constructing quasi-phase diagrams at air/oil interfaces and in bulk oil phases. A quinoidal quaterthiophene derivative with four alkyl chains (QQT(CN)4) in 1,1,2,2-tetrachroloethane (TCE) and a thienoacene derivative with two alkyl chains (C8-BTBT) in o-dichlorobenzene were used. The apparent crystal nucleation temperature (T n ) and dissolution temperature (T d ) of the molecules were determined based on optical microscopy examination in closed glass capillaries and open dishes during slow cooling and heating processes, respectively. T n and T d were considered estimates of the critical temperatures for nuclear formation and crystal growth, respectively. The T n values of QQT(CN)4 and C8-BTBT at the air/oil interfaces were higher than those in the bulk oil phases, whereas the T d values at the air/oil interfaces were almost the same as those in the bulk oil phases. These Gibbs adsorption phenomena were attributed to the solvophobic effect of the alkyl chain moieties. The temperature range between T n and T d corresponds to suitable supercooling conditions for ideal crystal growth based on the suppression of nucleation. The T n values at the water/oil and oil/glass interfaces did not shift compared with those of the bulk phases, indicating that adsorption did not occur at the hydrophilic interfaces. Promotion and inhibition of nuclear formation for crystal growth of the semiconductors were achieved at the air/oil and hydrophilic interfaces, respectively.

  7. Effects of Degree of Enzymatic Interesterification on the Physical Properties of Margarine Fats: Solid Fat Content, Crystallization Behavior, Crystal Morphology, and Crystal Network

    DEFF Research Database (Denmark)

    Zhang, Hong; Smith, Paul; Adler-Nissen, Jens

    2004-01-01

    In this study enzymatic-interesterified margarine fats with different conversion degrees were produced in a packed-bed reactor. The effects of conversion degree on the formation of free fatty acids and diacyglycerols, solid fat content, crystallization behavior, microstructure, and crystal network...... °C with increasing conversion degree. Increased conversion degree from the blend to products, measured by X-ray with addition of 50% of rapeseed oil for dilution, caused the content of â to decrease from 100% to 33%, and 30% and eventually to pure ⢠crystal. However, double chain packing...

  8. Impact of crystallization on the structure and chemical durability of borosilicate glass

    International Nuclear Information System (INIS)

    Nicoleau, Elodie

    2016-01-01

    This work describes a new approach to help understand the chemical durability of partially crystallized nuclear waste conditioning matrices. Among the studies carried out on nuclear waste deep geological disposal, long term behavior studies have so far been conducted on homogeneous glassy matrices. However, as the crystalline phases may generate modifications in the chemical composition and properties of such matrices, the description and a better understanding of their effects on the chemical durability of waste packages are of primary importance. A protocol to study the durability of heterogeneous model matrices of nuclear interest containing different types of crystalline phases was developed. It is based on a detailed description of the morphology, microstructure and structure of the glassy matrix and crystalline phases, and on the study of various alteration regimes. Three crystal phases that may form when higher concentrations of waste are immobilized in Uranium Oxide type conditioning glasses were studied: alkali and alkaline earth molybdates, rare earth silicates and ruthenium oxide. The results highlight the roles of the composition and the structure of the surrounding glassy matrix as the parameters piloting the alteration kinetics of the partially crystallized glassy matrices. This behavior is identical whatever the nature of the crystalline phases, as long as these phases do not lead to a composition gradient and do not percolate within the glassy matrix. Given these results, a methodology to study partially crystallized matrices with no composition gradient is then suggested. Its key development lies firstly in the evaluation of the behavior of partially crystallized matrices through the experimental study of the residual glassy matrix in various alteration regimes. This methodology may be adapted to the case of new glass formulations with more complex compositions (e.g. highly waste-loaded glass), which may contain crystals formed during cooling

  9. Crystallization kinetics in antimony and tellurium alloys used for phase change recording

    International Nuclear Information System (INIS)

    Kalb, J.A.

    2006-01-01

    This thesis makes a contribution to a fundamental understanding of the crystallization kinetics of amorphous and liquid phase change materials. In one project of this study, ex situ atomic force microscopy in combination with a high-precision furnace was identified as a powerful and accurate tool to determine isothermal crystallization parameters in thin films as a function of time and temperature. This method was employed for a systematic study of crystallization kinetics in sputtered amorphous Ag 0.055 In 0.065 Sb 0.59 Te 0.29 (hereafter: AgIn-SbTe), Ge 4 Sb 1 Te 5 , and Ge 1 Sb 2 Te 4 thin films used for phase change recording. The temperature dependence of the crystal nucleation rate and the crystal growth velocity were determined between 90 and 190 C by direct observation of crystals. The time dependence of the nucleation rate was also investigated. Ex situ transmission electron microscopy was used to study the crystal morphology in these alloys. In a second project, sputtered amorphous films in the compositions mentioned above were studied by differential scanning calorimetry. In a third project, droplets of molten alloys of composition Ge 12 Sb 88 , AgIn-Sb 2 Te, Ge 4 Sb 1 Te 5 and Ge 2 Sb 2 Te 5 , surrounded by a molten dehydrated B 2 O 3 flux, were undercooled to 40-80 K below their liquidus temperature in a differential thermal analyzer. The crystal-melt interfacial energy was determined from the nucleation temperature using the classical nucleation theory. (Orig.)

  10. Third harmonic frequency generation by type-I critically phase-matched LiB3O5 crystal by means of optically active quartz crystal.

    Science.gov (United States)

    Gapontsev, Valentin P; Tyrtyshnyy, Valentin A; Vershinin, Oleg I; Davydov, Boris L; Oulianov, Dmitri A

    2013-02-11

    We present a method of third harmonic generation at 355 nm by frequency mixing of fundamental and second harmonic radiation of an ytterbium nanosecond pulsed all-fiber laser in a type-I phase-matched LiB(3)O(5) (LBO) crystal where originally orthogonal polarization planes of the fundamental and second harmonic beams are aligned by an optically active quartz crystal. 8 W of ultraviolet light at 355 nm were achieved with 40% conversion efficiency from 1064 nm radiation. The conversion efficiency obtained in a type-I phase-matched LBO THG crystal was 1.6 times higher than the one achieved in a type-II LBO crystal at similar experimental conditions. In comparison to half-wave plates traditionally used for polarization alignment the optically active quartz crystal has much lower temperature dependence and requires simpler optical alignment.

  11. Hydroxyapatite crystal deposition disease: imaging aspects and biological behavior

    International Nuclear Information System (INIS)

    D'Aquino, Danilo Olavarria; Pinto, Alexandre de Lavra; Costa, Mauro Jose Brandao da; Fanelli, Vania A.; Abud, Lucas Giansante

    2005-01-01

    Objective: to demonstrate, using imaging methods (x-ray, computed tomography (CT), magnetic resonance imaging (MRI) and ultrasound (US), the phases of hydroxyapatite crystal deposition disease in joints, particularly in the shoulder, from the silent phase to the intra-osseous migration of calcifications and radiologic follow-up examinations showing complete remission after physical therapy. Material and method: we evaluated 27 joints (25 shoulders, one hip and one elbow) of patients followed-up with radiographs. Patients extremely symptomatic and refractory to treatment were referred to MRI or US. Results: total remission of calcifications was observed in 15 joints after treatment - 14 shoulders and one elbow. In two joint, migration of the calcification to bone was observed: one to the bursa subdeltoidea, one to biceps tendon, one to subcoracoid recess and one to the interior of the infra spinal muscle. In two cases MRI and CT scans showed a high inflammatory process triggered by the disease. Conclusion: hydroxyapatite crystal deposition disease affects multiple joints and can vary from asymptomatic to extremely symptomatic. Imaging methods show all phases of the disease, including the migratory phase. In general, the use of x-ray is enough for the diagnosis and follow-up. MRI and CT provide a more accurate diagnosis in the active phase of the disease. In this paper, remission was seen with physiotherapy (iontophoresis) in 55% of the cases. (author)

  12. Ultra-fast solid state electro-optical modulator based on liquid crystal polymer and liquid crystal composites

    Energy Technology Data Exchange (ETDEWEB)

    Ouskova, Elena; Sio, Luciano De, E-mail: luciano@beamco.com; Vergara, Rafael; Tabiryan, Nelson [Beam Engineering for Advanced Measurements Company, Winter Park, Florida 32789 (United States); White, Timothy J.; Bunning, Timothy J. [Air Force Research Laboratory, Wright-Patterson Air Force Base, Ohio 45433-7707 (United States)

    2014-12-08

    A different generation of polymer-dispersed liquid crystals (PDLCs) based on a liquid crystalline polymer host is reported wherein the fluid behavior of the reactive mesogenic monomer is an enabler to concentration windows (liquid crystal polymer/liquid crystal) (and subsequent morphologies) not previously explored. These liquid crystal (LC) polymer/LC composites, LCPDLCs, exhibit excellent optical and electro-optical properties with negligible scattering losses in both the ON and OFF states. These systems thus have application in systems where fast phase modulation of optical signal instead of amplitude control is needed. Polarized optical microscopy and high resolution scanning electron microscopy confirm a bicontinuous morphology composed of aligned LC polymer coexisting with a phase separated LC fluid. Operating voltages, switching times, and spectra of LCPDLCs compare favourably to conventional PDLC films. The LCPDLCs exhibit a low switching voltage (4–5 V/μm), symmetric and submillisecond (200 μs) on/off response times, and high transmission in both the as formed and switched state in a phase modulation geometry.

  13. Determination of phase transitions in a lyotropic liquid crystal by Positron Annihilation technique

    International Nuclear Information System (INIS)

    Castillo V, V.M.

    1994-01-01

    Positron annihilation technique was used to determine the phase transitions in a lyotropic liquid crystal, as a function of temperature. Seven different concentrations of the surfactant cetyldimethylethylammonium bromide, were studied. The liquid crystal studied consisted of a binary system, formed by the surfactant and water. Positron annihilation technique has a very high sensitivity toward changes in the microestructure, in condensed matter, this is useful in order to detect the temperatures at which phase transitions occur and the number of these, in a liquid crystalline system. Thus, phase transitions are related with changes occurred in the ortho-positronium parameters: lifetime (τ 3 ) and intensity of formation (I 3 ). Six different kinds of phases were detected in the system studied in a temperature range of 35 to 140 Centigrade degrees, those phases were: hexagonal, hexagonal-lamellae, lamellae, lamellae-cubic, nematic and anisotropic. Using optical microscopic the textures of these phases were assigned. (Author)

  14. Ferroelectric domains and phase evolution in (Fe:) KTa{sub 1−x}Nb{sub x}O{sub 3} crystals

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Hongyang; Cai, Kang; Fan, Ziran; Huang, Zhideng [Hubei Key Laboratory of Plasma Chemistry and Advanced Materials, Department of Materials Science and Engineering, Wuhan Institute of Technology, 693 Xiongchu Road, Wuhan 430073 (China); Ma, Zhibin, E-mail: mazb@wit.edu.cn [Hubei Key Laboratory of Plasma Chemistry and Advanced Materials, Department of Materials Science and Engineering, Wuhan Institute of Technology, 693 Xiongchu Road, Wuhan 430073 (China); Jia, Tingting; Kimura, Hideo [National Institute for Materials Science, Sengen 1-2-1, Tsukuba 305-0047 (Japan); Yang, Yuguo [New Materials Research Institute, Shandong Academy of Sciences, No. 19, Keyuan Road, Jinan 250014 (China); Matsumoto, Takao; Tohei, Tetsuya; Shibata, Naoya; Ikuhara, Yuichi [Institute of Engineering Innovation, School of Engineering, University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-8656 (Japan)

    2017-08-15

    Highlights: • Three phase transitions were observed: the R–O, O–T, T–C evolutions. • KTN ferroelectric domain switching is because of the nano-polar-regions. • The domain evolution showed KTN has triangle shape, but Fe: KTN has straight line. - Abstract: The domain structures and phase evolution in mixed ferroelectric (Fe): KTa{sub 1−x}Nb{sub x}O{sub 3} (KTN) crystals were investigated. Temperature dependent Raman spectra show that Curie temperatures of KTN and Fe: KTN are far below room temperature, but the ferroelectric domain switching was still visualized by scanning probe microscopy at room temperature. These observed domains origin from the nano-regions near the grain boundaries. In addition, the intrinsic domains (triangle for KTN and straight line/stripe for Fe: KTN) could only be observed at low temperature by transmission electron microscopy. Three phase transitions in Fe: KTN crystals were found by Raman spectroscopy and dielectric testing: 175 K for Rhombohedral-to-Orthorhombic (R–O), 210 K for Orthorhombic-to-Tetragonal (O–T) and 250 K for Tetragonal-to-Cubic (T–C), which is consistent with the domain behavior.

  15. On the influence of crystal size and wavelength on native SAD phasing.

    Science.gov (United States)

    Liebschner, Dorothee; Yamada, Yusuke; Matsugaki, Naohiro; Senda, Miki; Senda, Toshiya

    2016-06-01

    Native SAD is an emerging phasing technique that uses the anomalous signal of native heavy atoms to obtain crystallographic phases. The method does not require specific sample preparation to add anomalous scatterers, as the light atoms contained in the native sample are used as marker atoms. The most abundant anomalous scatterer used for native SAD, which is present in almost all proteins, is sulfur. However, the absorption edge of sulfur is at low energy (2.472 keV = 5.016 Å), which makes it challenging to carry out native SAD phasing experiments as most synchrotron beamlines are optimized for shorter wavelength ranges where the anomalous signal of sulfur is weak; for longer wavelengths, which produce larger anomalous differences, the absorption of X-rays by the sample, solvent, loop and surrounding medium (e.g. air) increases tremendously. Therefore, a compromise has to be found between measuring strong anomalous signal and minimizing absorption. It was thus hypothesized that shorter wavelengths should be used for large crystals and longer wavelengths for small crystals, but no thorough experimental analyses have been reported to date. To study the influence of crystal size and wavelength, native SAD experiments were carried out at different wavelengths (1.9 and 2.7 Å with a helium cone; 3.0 and 3.3 Å with a helium chamber) using lysozyme and ferredoxin reductase crystals of various sizes. For the tested crystals, the results suggest that larger sample sizes do not have a detrimental effect on native SAD data and that long wavelengths give a clear advantage with small samples compared with short wavelengths. The resolution dependency of substructure determination was analyzed and showed that high-symmetry crystals with small unit cells require higher resolution for the successful placement of heavy atoms.

  16. A High-Rate, Single-Crystal Model including Phase Transformations, Plastic Slip, and Twinning

    Energy Technology Data Exchange (ETDEWEB)

    Addessio, Francis L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Bronkhorst, Curt Allan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Bolme, Cynthia Anne [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Explosive Science and Shock Physics Division; Brown, Donald William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Cerreta, Ellen Kathleen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Lebensohn, Ricardo A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Lookman, Turab [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Luscher, Darby Jon [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Mayeur, Jason Rhea [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Morrow, Benjamin M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Rigg, Paulo A. [Washington State Univ., Pullman, WA (United States). Dept. of Physics. Inst. for Shock Physics

    2016-08-09

    An anisotropic, rate-­dependent, single-­crystal approach for modeling materials under the conditions of high strain rates and pressures is provided. The model includes the effects of large deformations, nonlinear elasticity, phase transformations, and plastic slip and twinning. It is envisioned that the model may be used to examine these coupled effects on the local deformation of materials that are subjected to ballistic impact or explosive loading. The model is formulated using a multiplicative decomposition of the deformation gradient. A plate impact experiment on a multi-­crystal sample of titanium was conducted. The particle velocities at the back surface of three crystal orientations relative to the direction of impact were measured. Molecular dynamics simulations were conducted to investigate the details of the high-­rate deformation and pursue issues related to the phase transformation for titanium. Simulations using the single crystal model were conducted and compared to the high-­rate experimental data for the impact loaded single crystals. The model was found to capture the features of the experiments.

  17. Ultrafast crystallization and thermal stability of In-Ge doped eutectic Sb70Te30 phase change material

    International Nuclear Information System (INIS)

    Lee Meiling; Miao Xiangshui; Ting Leehou; Shi Luping

    2008-01-01

    Effect of In and Ge doping in the form of In 2 Ge 8 Sb 85 Te 5 on optical and thermal properties of eutectic Sb 70 Te 30 alloys was investigated. Crystalline structure of In 2 Ge 8 Sb 85 Te 5 phase change material consists of a mixture of phases. Thermal analysis shows higher crystallization temperature and activation energy for crystallization. Isothermal reflectivity-time measurement shows a growth-dominated crystallization mechanism. Ultrafast crystallization speed of 30 ns is realized upon irradiation by blue laser beam. The use of ultrafast and thermally stable In 2 Ge 8 Sb 85 Te 5 phase change material as mask layer in aperture-type super-resolution near-field phase change disk is realized to increase the carrier-to-noise ratio and thermal stability

  18. Topological phase transitions from Harper to Fibonacci crystals

    Science.gov (United States)

    Amit, Guy; Dana, Itzhack

    2018-02-01

    Topological properties of Harper and generalized Fibonacci chains are studied in crystalline cases, i.e., for rational values of the modulation frequency. The Harper and Fibonacci crystals at fixed frequency are connected by an interpolating one-parameter Hamiltonian. As the parameter is varied, one observes topological phase transitions, i.e., changes in the Chern integers of two bands due to the degeneracy of these bands at some parameter value. For small frequency, corresponding to a semiclassical regime, the degeneracies are shown to occur when the average energy of the two bands is approximately equal to the energy of the classical separatrix. Spectral and topological features of the Fibonacci crystal for small frequency leave a clear imprint on the corresponding Hofstadter butterfly for arbitrary frequency.

  19. Structure and phase formation behavior and dielectric and magnetic properties of lead iron tantalate-lead zirconate titanate multiferroic ceramics

    International Nuclear Information System (INIS)

    Wongmaneerung, R.; Tipakontitikul, R.; Jantaratana, P.; Bootchanont, A.; Jutimoosik, J.; Yimnirun, R.; Ananta, S.

    2016-01-01

    Highlights: • The multiferroic ceramics consisted of PFT and PZT. • Crystal structure changed from cubic to mixedcubic and tetragonal with increasing PZT content. • Dielectric showed the samples underwent a typical relaxor ferroelectric behavior. • Magnetic properties showed very interesting behavior with square saturated magnetic hysteresis loops. - Abstract: Multiferroic (1 − x)Pb(Fe_0_._5Ta_0_._5)O_3–xPb(Zr_0_._5_3Ti_0_._4_7)O_3 (or PFT–PZT) ceramics were synthesized by solid-state reaction method. The crystal structure and phase formation of the ceramics were examined by X-ray diffraction (XRD). The local structure surrounding Fe and Ti absorbing atoms was investigated by synchrotron X-ray Absorption Near-Edge Structure (XANES) measurement. Dielectric properties were studied as a function of frequency and temperature using a LCR meter. A vibrating sample magnetometer (VSM) was used to determine the magnetic hysteresis loops. XRD study indicated that the crystal structure of the sample changed from pure cubic to mixed cubic and tetragonal with increasing PZT content. XANES measurements showed that the local structure surrounding Fe and Ti ions was similar. Dielectric study showed that the samples underwent a typical relaxor ferroelectric behavior while the magnetic properties showed very interesting behavior with square saturated magnetic hysteresis loops.

  20. Passive integrated circuits utilizing slow light in photonic crystal waveguides

    DEFF Research Database (Denmark)

    Lavrinenko, Andrei; Têtu, Amélie; Yang, Lirong

    2006-01-01

    We report thorough investigations of photonic crystal waveguide properties in the slow light regime. The transmission and the group index near the cutoff wavelengths oscillate in phase in close analogy with the ID photonic crystal behavior. The influence of having a finite number of periods...

  1. Micromechanical approach of the fatigue behavior in a superplastic single crystal

    International Nuclear Information System (INIS)

    Patoor, E.; Siredey, N.; Eberhardt, A.; Berveiller, M.

    1995-01-01

    Mechanical cycling of superelastic alloys leads to significant change in their observed behavior. Critical stress needed to induce the martensitic transformation is reduced while the tangent transformation modulus is increased. Microstructural observations have shown that a mechanical cycling produced a strongly oriented pattern of dislocations. This dislocation network is associated to an internal stress field. It seems reasonable to relate this internal stress field to the observed evolution of the mechanical response. This is phenomenologically performed in this work considering the thermodynamical potential associated to the martensitic transformation of a single crystal of parent phase in presence of a microstructure of defects. Evolutions of the microstructural state are defined using the volume fraction associated to the variant of martensite and additional volume fractions of defects related to the dislocation pattern. Results such obtained well-captured experimental observations. (orig.)

  2. Phase transitions in (NH4)2MoO2F4 crystal

    Science.gov (United States)

    Krylov, Alexander; Laptash, Natalia; Vtyurin, Alexander; Krylova, Svetlana

    2016-11-01

    The mechanisms of temperature and high pressure phase transitions have been studied by Raman spectroscopy. Room temperature (295 K) experiments under high hydrostatic pressure up to 3.6 GPa for (NH4)2 MoO2 F4 have been carried out. Experimental data indicates a phase transition into a new high-pressure phase for (NH4)2 MoO2 F4 at 1.2 GPa. This phase transition is related to the ordering anion octahedron groups [MoO2 F4]2- and is not associated with ammonium group. Raman spectra of small non-oriented crystals ranging from 10 to 350 K have been observed. The experiment shows anion groups [MoO2 F4]2- and ammonium in high temperature phase are disordered. The phase transition at T1 = 269.8 K is of the first-order, close to the tricritical point. The first temperature phase transition is related to the ordering anion octahedron groups [MoO2 F4]2-. Second phase transitions T2 = 180 K are associated with the ordering of ammonium. The data presented within this study demonstrate that 2D correlation analysis combined with traditional Raman spectroscopy are powerful tool to study phase transitions in the crystals.

  3. Crystal structure of the binder phase in a model HfC-TiC-Ni material

    International Nuclear Information System (INIS)

    Heiligers, Christiane; Neethling, Johannes H.

    2008-01-01

    The crystal structure of the binder phase in a model HfC-TiC-Ni sample produced by hot pressing is investigated. The nature of the binder depends on the amount of Hf and Ti that remains in solution with Ni after cooling. Four different crystal structures are identified by analysis of electron diffraction patterns obtained using transmission electron microscopy techniques and the composition of the phases determined by energy dispersive X-ray spectrometry. Three of the phases are cubic; Ni, Ni 3 (Ti,Hf) and Ni 23 (Ti,Hf) 6 with lattice parameters of 3.52 ± 0.05, 3.52 ± 0.03 and 10.70 ± 0.40 A, respectively. The hexagonal phase is an intermetallic Ni 3 Ti phase, with lattice parameters of a = b = 5.00 ± 0.20 A and c = 8.16 ± 0.20 A. The crystal structures are confirmed by simulations of the electron diffraction patterns using JEMS software

  4. E-T phase diagram of an antiferroelectric liquid crystal with re-entrand smectic C* phase

    Czech Academy of Sciences Publication Activity Database

    Na, Y.-H.; Naruse, Y.; Fukuda, N.; Orihara, H.; Fajar, A.; Hamplová, Věra; Kašpar, Miroslav; Glogarová, Milada

    2008-01-01

    Roč. 364, č. 1 (2008), s. 13-19 ISSN 0015-0193 Institutional research plan: CEZ:AV0Z10100520 Keywords : phase diagram * liquid crystals * dielectric measurements * electric field Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.562, year: 2008

  5. Supramolecular structure, phase behavior and thermo-rheological properties of a poly (L-lactide-co-ε-caprolactone) statistical copolymer.

    Science.gov (United States)

    Ugartemendia, Jone M; Muñoz, M E; Santamaria, A; Sarasua, J R

    2015-08-01

    PLAcoCL samples, both unaged, termed PLAcoCLu, and aged over time, PLAcoCLa, were prepared and analyzed to study the phase structure, morphology, and their evolution under non-quiescent conditions. X- ray diffraction, Differential Scanning Calorimetry and Atomic Force Microscopy were complemented with thermo-rheological measurements to reveal that PLAcoCL evolves over time from a single amorphous metastable state to a 3 phase system, made up of two compositionally different amorphous phases and a crystalline phase. The supramolecular arrangements developed during aging lead to a rheological complex behavior in the PLAcoCLa copolymer: Around Tt=131 °C thermo-rheological complexity and a peculiar chain mobility reduction were observed, but at T>Tt the thermo-rheological response of a homogeneous system was recorded. In comparison with the latter, the PLLA/PCL 70:30 physical blend counterpart showed double amorphous phase behavior at all temperatures, supporting the hypothesis that phase separation in the PLAcoCLa copolymer is caused by the crystallization of polylactide segment blocks during aging. Copyright © 2015 Elsevier Ltd. All rights reserved.

  6. Phase Behavior and Rheology of Fatty Alcohol Sulphate, Fatty Alcohol Ether Sulphate from Palm based and Mixtures with other Surfactants

    International Nuclear Information System (INIS)

    Hong, L.K.; Nur Syazani Harun; Mohd Suzeren Mohd Jamil; Rahimi Mohd Yusop

    2013-01-01

    The phase diagrams of fatty alcohol sulphate (FAS)/ fatty alcohol ether sulphate (FAES)/ soap (4.5:4.5:1.0)/ propylene glycol/ water mixtures were established at 60 degree Celsius. The birefringence was observed under cross polarizers and their phases changes examined under a polarized microscope. The results showed that the liquid crystalline region for FAS and FAES occurred only in a small region. The optical patterns of lamellar liquid crystal were identified as oily streaks structure. The rheological tests of lamellar liquid crystal were carried out in the region of 4.5/ 4.5/ 1 FAES/ FAS/ soap with 0 % PG and 10 % of water. The rheological tests used were flow curve, 3 interval thixotropy test (3ITT), oscillation (dynamic test) stress sweep test and frequency sweep test measurement done using a cone-plate sensor (25 mm, 1 degree). The flow curve was fitted to a Casson model to obtain values for the consistency coefficient and the flow behavior index. The lamellar liquid crystal show typical flow behavior and stress influenced the recovery of the structure. Linear visco-elastic (LVE) range analysis show the critical stress value at 0.475%, and elastic modulus was dominant over an angular frequency range studied. (author)

  7. Phase relations, crystal structures and physical properties of nuclear fuels

    International Nuclear Information System (INIS)

    Tagawa, Hiroaki; Fujino, Takeo; Tateno, Jun

    1975-07-01

    Phase relations, crystal structures and physical properties of the compounds for nuclear fuels are presented, including melting point, thermal expansion, diffusion and magnetic and electric properties. Emphasis is on oxides, carbides and nitrides of thorium, uranium and plutonium. (auth.)

  8. Direct NMR Monitoring of Phase Separation Behavior of Highly Supersaturated Nifedipine Solution Stabilized with Hypromellose Derivatives.

    Science.gov (United States)

    Ueda, Keisuke; Higashi, Kenjirou; Moribe, Kunikazu

    2017-07-03

    We investigated the phase separation behavior and maintenance mechanism of the supersaturated state of poorly water-soluble nifedipine (NIF) in hypromellose (HPMC) derivative solutions. Highly supersaturated NIF formed NIF-rich nanodroplets through phase separation from aqueous solution containing HPMC derivative. Dissolvable NIF concentration in the bulk water phase was limited by the phase separation of NIF from the aqueous solution. HPMC derivatives stabilized the NIF-rich nanodroplets and maintained the NIF supersaturation with phase-separated NIF for several hours. The size of the NIF-rich phase was different depending on the HPMC derivatives dissolved in aqueous solution, although the droplet size had no correlation with the time for which NIF supersaturation was maintained without NIF crystallization. HPMC acetate and HPMC acetate succinate (HPMC-AS) effectively maintained the NIF supersaturation containing phase-separated NIF compared with HPMC. Furthermore, HPMC-AS stabilized NIF supersaturation more effectively in acidic conditions. Solution 1 H NMR measurements of NIF-supersaturated solution revealed that HPMC derivatives distributed into the NIF-rich phase during the phase separation of NIF from the aqueous solution. The hydrophobicity of HPMC derivative strongly affected its distribution into the NIF-rich phase. Moreover, the distribution of HPMC-AS into the NIF-rich phase was promoted at lower pH due to the lower aqueous solubility of HPMC-AS. The distribution of a large amount of HPMC derivatives into NIF-rich phase induced the strong inhibition of NIF crystallization from the NIF-rich phase. Polymer distribution into the drug-rich phase directly monitored by solution NMR technique can be a useful index for the stabilization efficiency of drug-supersaturated solution containing a drug-rich phase.

  9. Na-Si binary phase diagram and solution growth of silicon crystals

    International Nuclear Information System (INIS)

    Morito, H.; Yamada, T.; Ikeda, T.; Yamane, H.

    2009-01-01

    In the present study, a Na-Si binary phase diagram was first presented from the results of differential thermal analysis and X-ray diffraction. Based on the phase diagram, we performed low-temperature formation of single crystals, film and porous bulk of Si by vaporizing Na from a Na-Si melt at 800 or 900 deg. C.

  10. Growth of Cd0.96Zn0.04Te single crystals by vapor phase gas transport method

    Directory of Open Access Journals (Sweden)

    S. H. Tabatabai Yazdi

    2006-03-01

    Full Text Available   Cd0.96Zn0.04Te crystals were grown using vapor phase gas transport method (VPGT. The results show that dendritic crystals with grain size up to 3.5 mm can be grown with this technique. X-ray diffraction and Laue back-reflection patterns show that dendritic crystals are single-phase, whose single crystal grains are randomly oriented with respect to the gas-transport axis. Electrical measurements, carried out using Van der Pauw method, show that the as-grown crystals have resistivity of about 104 Ω cm and n-type conductivity.

  11. Influence of ionic conductivity on in-phase and anti-phase motions of antiferroelectric liquid crystals

    International Nuclear Information System (INIS)

    Das, D.; Majumder, T.P.; Ghosh, N.K.

    2014-01-01

    The in-phase and anti-phase motions of antiferroelectric liquid crystals were changed due to the influence of charge density associated with the layer modulation modifying the elastic behaviour. The elastic constant was changed because of the coupling between charge density variation and variation of azimuthal angle (ϕ). We obtained theoretically a modified elastic constant depending on the variation of charge density in both in-phase and anti-phase motions. The theoretically elastic constant decreases with the increase of the coupling coefficient between charge density and in-phase azimuthal angle (ϕ a ). We theoretically accounted the dependence of dielectric strength for both relaxations depending on the effective elastic constant influenced by the presence of charge density and discussed the results with experimental observations

  12. Large Three-Dimensional Photonic Crystals Based on Monocrystalline Liquid Crystal Blue Phases (Postprint)

    Science.gov (United States)

    2017-09-28

    a pair of glass slides with plastic spacers to determine the cell gap: 100 and 300 μm for the polymer-free BPLCs and 12 μm for the polymer-stabilized...Nissan) and rubbed with cloth to induce uniform planar alignment. Measurements. Reflection and transmission spectra were taken using a spectro- meter...thermal recycles . Opt. Mater. Express 2, 1149–1155 (2012). 34. Onusseit, H. & Stegemeyer, H. Liquid single crystals of cholesteric blue phases. Z

  13. Single-crystal neutron diffraction study of ammonium nitrate phase III

    International Nuclear Information System (INIS)

    Choi, C.S.; Prask, H.J.

    1982-01-01

    The crystal structure of ammonium nitrate phase III has been studied at room temperature by neutron diffraction using a single crystal containing 5% KNO 3 in solid-solution form. The space group is Pnma, with a = 7.6772 (4), b = 5.8208 (4), c = 7.1396 (5) A, Z = 4. The final residual after full-matrix least-squares refinement was R = 0.042 for 348 observed reflections. The ammonium ions are thermally disordered into two orientations, displaced by an angle of approximately 42 0 about an axis parallel to the c axis. (Auth.)

  14. Characterization of physicochemical and thermal properties and crystallization behavior of krabok (Irvingia Malayana ) and rambutan seed fats.

    Science.gov (United States)

    Sonwai, Sopark; Ponprachanuvut, Punnee

    2012-01-01

    Fatty acid composition, physicochemical and thermal properties and crystallization behavior of fats extracted from the seeds of krabok (Irvingia Malayana) and rambutan (Nephelium lappaceum L.) trees grown in Thailand were studied and compared with cocoa butter (CB). The krabok seed fat, KSF, consisted of 46.9% lauric and 40.3% myristic acids. It exhibited the highest saponification value and slip melting point but the lowest iodine values. The three fats displayed different crystallization behavior at 25°C. KSF crystallized into a mixture of β' and pseudo-β' structures with a one-step crystallization curve and high solid fat content (SFC). The fat showed simple DSC crystallization and melting thermograms with one distinct peak. The rambutan seed fat, RSF, consisted of 42.5% arachidic and 33.1% oleic acids. Its crystallization behavior was more similar to CB than KSF, displaying a two-step crystallization curve with SFC lower than that of KSF. RSF solidified into a mixture of β' and pseudo-β' before transforming to β after 24 h. The large spherulitic microstructures were observed in both KSF and RSF. According to these results, the Thai KSF and RSF exhibited physicochemical, thermal characteristics and crystallization behavior that could be suitable for specific applications in several areas of the food, cosmetic and pharmaceutical industries.

  15. Get phases from arsenic anomalous scattering: de novo SAD phasing of two protein structures crystallized in cacodylate buffer.

    Directory of Open Access Journals (Sweden)

    Xiang Liu

    Full Text Available The crystal structures of two proteins, a putative pyrazinamidase/nicotinamidase from the dental pathogen Streptococcus mutans (SmPncA and the human caspase-6 (Casp6, were solved by de novo arsenic single-wavelength anomalous diffraction (As-SAD phasing method. Arsenic (As, an uncommonly used element in SAD phasing, was covalently introduced into proteins by cacodylic acid, the buffering agent in the crystallization reservoirs. In SmPncA, the only cysteine was bound to dimethylarsinoyl, which is a pentavalent arsenic group (As (V. This arsenic atom and a protein-bound zinc atom both generated anomalous signals. The predominant contribution, however, was from the As anomalous signals, which were sufficient to phase the SmPncA structure alone. In Casp6, four cysteines were found to bind cacodyl, a trivalent arsenic group (As (III, in the presence of the reducing agent, dithiothreitol (DTT, and arsenic atoms were the only anomalous scatterers for SAD phasing. Analyses and discussion of these two As-SAD phasing examples and comparison of As with other traditional heavy atoms that generate anomalous signals, together with a few arsenic-based de novo phasing cases reported previously strongly suggest that As is an ideal anomalous scatterer for SAD phasing in protein crystallography.

  16. Crystallization behavior of nanocomposites based on poly(L-lactide) and layered double hydroxides - Unbiased determination of the rigid amorphous phases due to the crystals and the nanofiller

    Science.gov (United States)

    Schoenhals, Andreas; Leng, Jing; Wurm, Andreas; Schick, Christoph

    Semicrystalline polymers have to be described by a three phase model consisting of a mobile amorphous (MAF), a crystalline (CF), and a rigid amorphous fraction (RAF). For nanocomposites based on a semicrystalline polymer the RAF is due to both the crystallites (RAFcrystal) and the filler (RAFfiller) . In most cases a separation of both contributions is not possible without further assumptions. Here polymer nanocomposite based on poly(L-lactide) and layered double hydroxide nanofiller were prepared. Due to the low crystallization rate of PLA its crystallization can be suppressed by a high enough cooling rate, and the RAF is due only to the nanofiller. The MAF, CF, and RAF were estimated by Temperature Modulated DSC. For the first time CF, MAF, RAFcrystal, and RAFfiller could be estimated without any assumption. Two different systems with a different degree of exfoliation were prepared and discussed in detail.

  17. Visualization of membrane protein crystals in lipid cubic phase using X-ray imaging

    International Nuclear Information System (INIS)

    Warren, Anna J.; Armour, Wes; Axford, Danny; Basham, Mark; Connolley, Thomas; Hall, David R.; Horrell, Sam; McAuley, Katherine E.; Mykhaylyk, Vitaliy; Wagner, Armin; Evans, Gwyndaf

    2013-01-01

    A comparison of X-ray diffraction and radiographic techniques for the location and characterization of protein crystals is demonstrated on membrane protein crystals mounted within lipid cubic phase material. The focus in macromolecular crystallography is moving towards even more challenging target proteins that often crystallize on much smaller scales and are frequently mounted in opaque or highly refractive materials. It is therefore essential that X-ray beamline technology develops in parallel to accommodate such difficult samples. In this paper, the use of X-ray microradiography and microtomography is reported as a tool for crystal visualization, location and characterization on the macromolecular crystallography beamlines at the Diamond Light Source. The technique is particularly useful for microcrystals and for crystals mounted in opaque materials such as lipid cubic phase. X-ray diffraction raster scanning can be used in combination with radiography to allow informed decision-making at the beamline prior to diffraction data collection. It is demonstrated that the X-ray dose required for a full tomography measurement is similar to that for a diffraction grid-scan, but for sample location and shape estimation alone just a few radiographic projections may be required

  18. Visualization of membrane protein crystals in lipid cubic phase using X-ray imaging

    Energy Technology Data Exchange (ETDEWEB)

    Warren, Anna J. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom); Armour, Wes [Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom); Oxford e-Research Centre, 7 Keble Road, Oxford OX1 3QG (United Kingdom); Axford, Danny; Basham, Mark; Connolley, Thomas; Hall, David R. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom); Horrell, Sam [Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom); University of Liverpool, Liverpool L69 3BX (United Kingdom); McAuley, Katherine E.; Mykhaylyk, Vitaliy; Wagner, Armin; Evans, Gwyndaf, E-mail: gwyndaf.evans@diamond.ac.uk [Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom)

    2013-07-01

    A comparison of X-ray diffraction and radiographic techniques for the location and characterization of protein crystals is demonstrated on membrane protein crystals mounted within lipid cubic phase material. The focus in macromolecular crystallography is moving towards even more challenging target proteins that often crystallize on much smaller scales and are frequently mounted in opaque or highly refractive materials. It is therefore essential that X-ray beamline technology develops in parallel to accommodate such difficult samples. In this paper, the use of X-ray microradiography and microtomography is reported as a tool for crystal visualization, location and characterization on the macromolecular crystallography beamlines at the Diamond Light Source. The technique is particularly useful for microcrystals and for crystals mounted in opaque materials such as lipid cubic phase. X-ray diffraction raster scanning can be used in combination with radiography to allow informed decision-making at the beamline prior to diffraction data collection. It is demonstrated that the X-ray dose required for a full tomography measurement is similar to that for a diffraction grid-scan, but for sample location and shape estimation alone just a few radiographic projections may be required.

  19. Analyzer-based x-ray phase-contrast microscopy combining channel-cut and asymmetrically cut crystals

    International Nuclear Information System (INIS)

    Hoennicke, M. G.; Cusatis, C.

    2007-01-01

    An analyzer-based x-ray phase-contrast microscopy (ABM) setup combining a standard analyzer-based x-ray phase-contrast imaging (ABI) setup [nondispersive 4-crystal setup (Bonse-Hart setup)] and diffraction by asymmetrically cut crystals is presented here. An attenuation-contrast microscopy setup with conventional x-ray source and asymmetrically cut crystals is first analyzed. Edge-enhanced effects attributed to phase jumps or refraction/total external reflection on the fiber borders were detected. However, the long exposure times and the possibility to achieve high contrast microscopies by using extremely low attenuation-contrast samples motivated us to assemble the ABM setup using a synchrotron source. This setup was found to be useful for low contrast attenuation samples due to the low exposure time, high contrast, and spatial resolution found. Moreover, thanks to the combination with the nondispersive ABI setup, the diffraction-enhanced x-ray imaging algorithm could be applied

  20. Microstructure and magnetic behavior of Mn doped GeTe chalcogenide semiconductors based phase change materials

    Science.gov (United States)

    Adam, Adam Abdalla Elbashir; Cheng, Xiaomin; Abuelhassan, Hassan H.; Miao, Xiang Shui

    2017-06-01

    Phase-change materials (PCMs) are the most promising candidates to be used as an active media in the universal data storage and spintronic devices, due to their large differences in physical properties of the amorphous-crystalline phase transition behavior. In the present study, the microstructure, magnetic and electrical behaviors of Ge0.94Mn0.06Te thin film were investigated. The crystallographic structure of Ge0.94Mn0.06Te thin film was studied sing X-ray diffractometer (XRD) and High Resolution Transmission Electron Microscope (HR-TEM). The XRD pattern showed that the crystallization structure of the film was rhombohedral phase for GeTe with a preference (202) orientation. The HR-TEM image of the crystalline Ge0.94Mn0.06Te thin film demonstrated that, there were two large crystallites and small amorphous areas. The magnetization as a function of the magnetic field analyses of both amorphous and crystalline states showed the ferromagnetic hysteretic behaviors. Then, the hole carriers concentration of the film was measured and it found to be greater than 1021 cm-3 at room temperature. Moreover, the anomalous of Hall Effect (AHE) was clearly observed for the measuring temperatures 5, 10 and 50 K. The results demonstrated that the magnitude of AHE decreased when the temperature was increasing.

  1. Crystal structure and phase transitions in perovskite-like C(NH2)3SnCl3

    International Nuclear Information System (INIS)

    Szafranski, Marek; Stahl, Kenny

    2007-01-01

    X-ray single-crystal diffraction, high-temperature powder diffraction and differential thermal analysis at ambient and high pressure have been employed to study the crystal structure and phase transitions of guanidinium trichlorostannate, C(NH 2 ) 3 SnCl 3 . At 295 K the crystal structure is orthorhombic, space group Pbca, Z=8, a=7.7506(2) A, b=12.0958(4) A and c=17.8049(6) A, solved from single-crystal data. It is perovskite-like with distorted corner-linked SnCl 6 octahedra and with ordered guanidinium cations in the distorted cuboctahedral voids. At 400 K the structure shows a first-order order-disorder phase transition. The space group is changed to Pnma with Z=4, a=12.1552(2) A, b=8.8590(2) A and c=8.0175(1) A, solved from powder diffraction data and showing disordering of the guanidinium cations. At 419 K, the structure shows yet another first-order order-disorder transformation with disordering of the SnCl 3 - part. The space group symmetry is maintained as Pnma, with a=12.1786(2) A, b=8.8642(2) A and c=8.0821(2) A. The thermodynamic parameters of these transitions and the p-T phase diagram have been determined and described. - Graphical abstract: The perovskite-like crystals of C(NH 2 ) 3 SnCl 3 undergo two successive first-order phase transitions at 400 and 419 K, both accompanied by an essential order-disorder contribution. The p-T phase diagram exhibits a singular point at 219 MPa and 443 K

  2. Comparison of measured and computed phase functions of individual tropospheric ice crystals

    Science.gov (United States)

    Stegmann, Patrick G.; Tropea, Cameron; Järvinen, Emma; Schnaiter, Martin

    2016-07-01

    Airplanes passing the incuda (lat. anvils) regions of tropical cumulonimbi-clouds are at risk of suffering an engine power-loss event and engine damage due to ice ingestion (Mason et al., 2006 [1]). Research in this field relies on optical measurement methods to characterize ice crystals; however the design and implementation of such methods presently suffer from the lack of reliable and efficient means of predicting the light scattering from ice crystals. The nascent discipline of direct measurement of phase functions of ice crystals in conjunction with particle imaging and forward modelling through geometrical optics derivative- and Transition matrix-codes for the first time allow us to obtain a deeper understanding of the optical properties of real tropospheric ice crystals. In this manuscript, a sample phase function obtained via the Particle Habit Imaging and Polar Scattering (PHIPS) probe during a measurement campaign in flight over Brazil will be compared to three different light scattering codes. This includes a newly developed first order geometrical optics code taking into account the influence of the Gaussian beam illumination used in the PHIPS device, as well as the reference ray tracing code of Macke and the T-matrix code of Kahnert.

  3. Influence of crystal phases on electro-optic properties of epitaxially grown lanthanum-modified lead zirconate titanate films

    Science.gov (United States)

    Masuda, Shin; Seki, Atsushi; Masuda, Yoichiro

    2010-02-01

    We describe here how we have improved the crystal qualities and controlled the crystal phase of the lanthanum-modified lead zirconate titanate (PLZT) film without changing the composition ratio using an oxygen-pressure crystallization process. A PLZT film deposited on a SrTiO3 substrate with the largest electro-optic (EO) coefficient of 498 pm/V has been achieved by controlling the crystal phase of the film. Additionally, a fatigue-free lead zirconate titanate (PZT) capacitor with platinum electrodes has been realized by reducing the oxygen vacancies in the films.

  4. Phase transformation during silica cluster impact on crystal silicon substrate studied by molecular dynamics simulation

    International Nuclear Information System (INIS)

    Chen Ruling; Luo Jianbin; Guo Dan; Lu Xinchun

    2008-01-01

    The process of a silica cluster impact on a crystal silicon substrate is studied by molecular dynamics simulation. At the impact loading stage, crystal silicon of the impact zone transforms to a locally ordered molten with increasing the local temperature and pressure of the impact zone. And then the transient molten forms amorphous silicon directly as the local temperature and pressure decrease at the impact unloading stage. Moreover, the phase behavior between the locally ordered molten and amorphous silicon exhibits the reversible structural transition. The transient molten contains not only lots of four-fold atom but also many three- and five-fold atoms. And the five-fold atom is similar to the mixture structure of semi-Si-II and semi-bct5-Si. The structure transformation between five- and four-fold atoms is affected by both pressure and temperature. The structure transformation between three- and four-fold atoms is affected mostly by temperature. The direct structure transformation between five- and three-fold atoms is not observed. Finally, these five- and three-fold atoms are also different from the usual five- and three-fold deficient atoms of amorphous silicon. In addition, according to the change of coordination number of atoms the impact process is divided into six stages: elastic, plastic, hysteresis, phase regressive, adhesion and cooling stages

  5. Liquid crystal dimers

    CERN Document Server

    Kumar Pal, Santanu

    2017-01-01

    This book covers in-depth discussion of design principles, synthesis and thermal behavior of all types of liquid crystal (LC) dimers. The text presents recent advances in the field of LC dimers consisting of different mesogenic units such as calamitic, discotic and bent-core molecules. It starts with a chapter on the introduction of liquid crystal dimers, including their odd-even behavior, basic classification of dimers and common mesophases in dimers. The text shows how the molecular architectures are being used to develop new materials to study a range of interesting phenomena such as the biaxial nematic phase containing rod-like and disc-like mesogenic units. Finally, the text presents perspectives related to technological relevance of these dimers such as dopants in LC display mixtures exhibiting faster relaxation time, strong flexoelectric coupling and others to effect control over the properties of these materials.

  6. High temperature oxidation behavior of aluminide on a Ni-based single crystal superalloy in different surface orientations

    Institute of Scientific and Technical Information of China (English)

    Fahamsyah H.Latief; Koji Kakehi; El-Sayed M.Sherif

    2014-01-01

    An investigation on oxidation behavior of coated Ni-based single crystal superalloy in different surface orientations has been carried out at 1100 1C. It has been found that the {100} surface shows a better oxidation resistance than the {110} one, which is attributed that the {110}surface had a slightly higher oxidation rate when compared to the {100} surface. The experimental results also indicated that the anisotropic oxidation behavior took place even with a very small difference in the oxidation rates that was found between the two surfaces. The differences of the topologically close packed phase amount and its penetration depth between the two surfaces, including the ratio of α-Al2O3 after 500 h oxidation, were responsible for the oxidation anisotropy.

  7. Crystallization Kinetics of GeSbTe Phase-Change Nanoparticles Resolved by Ultrafast Calorimetry

    NARCIS (Netherlands)

    Chen, Bin; Brink, ten Gert; Palasantzas, Georgios; Kooi, Bart J.

    2017-01-01

    Although nanostructured phase-change materials (PCMs) are considered as the building blocks of next-generation phase-change memory and other emerging optoelectronic applications, the kinetics of the crystallization, the central property in switching, remains ambiguous in the high-temperature regime.

  8. Frequency and Thermal Behavior of Acoustic Absorption in ɛ-GaSe Crystals

    Science.gov (United States)

    Dzhafarova, S. Z.

    2018-04-01

    The paper presents results of measuring acoustic absorption in ɛ-GaSe crystals. The absorption of a longitudinal wave which propagates normal to the crystal layers, quadratically depends on frequency. However, it does not depend on temperature, i.e. it displays an Akhiezer behavior although its absolute value considerably exceeds the expected. The analysis of the frequency and thermal behavior of absorption of piezoelectric waves propagating along the layers, includes the deduction of contribution made by the interaction between waves and charge carriers. This analysis shows the linear dependence between the lattice absorption of these waves and the frequency. The linear frequency and weak temperature dependences of the acoustic absorption characterize the additional ultra-Akhiezer absorption in glasses. In our case, it can be caused by various polytypes forming in GaSe crystals which differ merely in a mutual arrangement of layers.

  9. Phase diagram of supercooled water confined to hydrophilic nanopores

    Science.gov (United States)

    Limmer, David T.; Chandler, David

    2012-07-01

    We present a phase diagram for water confined to cylindrical silica nanopores in terms of pressure, temperature, and pore radius. The confining cylindrical wall is hydrophilic and disordered, which has a destabilizing effect on ordered water structure. The phase diagram for this class of systems is derived from general arguments, with parameters taken from experimental observations and computer simulations and with assumptions tested by computer simulation. Phase space divides into three regions: a single liquid, a crystal-like solid, and glass. For large pores, radii exceeding 1 nm, water exhibits liquid and crystal-like behaviors, with abrupt crossovers between these regimes. For small pore radii, crystal-like behavior is unstable and water remains amorphous for all non-zero temperatures. At low enough temperatures, these states are glasses. Several experimental results for supercooled water can be understood in terms of the phase diagram we present.

  10. Structure and phase formation behavior and dielectric and magnetic properties of lead iron tantalate-lead zirconate titanate multiferroic ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Wongmaneerung, R., E-mail: re_nok@yahoo.com [Faculty of Science, Maejo University, Chiang Mai 50290 (Thailand); Tipakontitikul, R. [Department of Physics, Ubonratchathani University, Ubonratchathani 31490 (Thailand); Jantaratana, P. [Department of Physics, Kasetsart University, Bangkok 10900 (Thailand); Bootchanont, A.; Jutimoosik, J.; Yimnirun, R. [School of Physics, Institute of Science, and NANOTEC-SUT Center of Excellence on Advanced Functional Nanomaterials, Suranaree University of Technology, Nakhon Ratchasima 30000 (Thailand); Ananta, S. [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand)

    2016-03-15

    Highlights: • The multiferroic ceramics consisted of PFT and PZT. • Crystal structure changed from cubic to mixedcubic and tetragonal with increasing PZT content. • Dielectric showed the samples underwent a typical relaxor ferroelectric behavior. • Magnetic properties showed very interesting behavior with square saturated magnetic hysteresis loops. - Abstract: Multiferroic (1 − x)Pb(Fe{sub 0.5}Ta{sub 0.5})O{sub 3}–xPb(Zr{sub 0.53}Ti{sub 0.47})O{sub 3} (or PFT–PZT) ceramics were synthesized by solid-state reaction method. The crystal structure and phase formation of the ceramics were examined by X-ray diffraction (XRD). The local structure surrounding Fe and Ti absorbing atoms was investigated by synchrotron X-ray Absorption Near-Edge Structure (XANES) measurement. Dielectric properties were studied as a function of frequency and temperature using a LCR meter. A vibrating sample magnetometer (VSM) was used to determine the magnetic hysteresis loops. XRD study indicated that the crystal structure of the sample changed from pure cubic to mixed cubic and tetragonal with increasing PZT content. XANES measurements showed that the local structure surrounding Fe and Ti ions was similar. Dielectric study showed that the samples underwent a typical relaxor ferroelectric behavior while the magnetic properties showed very interesting behavior with square saturated magnetic hysteresis loops.

  11. Non-Resonant Magnetoelectric Energy Harvesting Utilizing Phase Transformation in Relaxor Ferroelectric Single Crystals

    Directory of Open Access Journals (Sweden)

    Peter Finkel

    2015-12-01

    Full Text Available Recent advances in phase transition transduction enabled the design of a non-resonant broadband mechanical energy harvester that is capable of delivering an energy density per cycle up to two orders of magnitude larger than resonant cantilever piezoelectric type generators. This was achieved in a [011] oriented and poled domain engineered relaxor ferroelectric single crystal, mechanically biased to a state just below the ferroelectric rhombohedral (FR-ferroelectric orthorhombic (FO phase transformation. Therefore, a small variation in an input parameter, e.g., electrical, mechanical, or thermal will generate a large output due to the significant polarization change associated with the transition. This idea was extended in the present work to design a non-resonant, multi-domain magnetoelectric composite hybrid harvester comprised of highly magnetostrictive alloy, [Fe81.4Ga18.6 (Galfenol or TbxDy1-xFe2 (Terfenol-D], and lead indium niobate–lead magnesium niobate–lead titanate (PIN-PMN-PT domain engineered relaxor ferroelectric single crystal. A small magnetic field applied to the coupled device causes the magnetostrictive element to expand, and the resulting stress forces the phase change in the relaxor ferroelectric single crystal. We have demonstrated high energy conversion in this magnetoelectric device by triggering the FR-FO transition in the single crystal by a small ac magnetic field in a broad frequency range that is important for multi-domain hybrid energy harvesting devices.

  12. Single-crystal FCC and DHCP phases in Ce/Pr superlattices

    International Nuclear Information System (INIS)

    Lee, S.; Goff, J.P.; Ward, R.C.C.; Wells, M.R.; McIntyre, G.J.

    2002-01-01

    Cerium usually comprises a mixture of polycrystalline FCC and DHCP allotropes. Single-crystal Ce has been stabilised in Ce/Pr superlattices grown using molecular beam epitaxy. It is found that FCC or DHCP phases can be obtained depending on superlattice composition and growth conditions. Low-temperature neutron scattering was performed on Ce/Pr samples using the triple-axis spectrometer D10 at the ILL. Such measurements revealed one sample, [Ce 20 Pr 20 ] 60 , to be a single crystal with a DHCP unit cell; while another, [Ce 30 Pr 10 ] 56 , was a mixture of FCC and DHCP phases. Antiferromagnetic ordering of magnetic moments was observed in the DHCP sample (T N =11.1 K) with a magnetic structure similar to that found in bulk β-Ce. Surprisingly, the magnetic ordering was found to be confined to single Ce blocks. Furthermore, it was found that, at low temperatures, the lattice contraction observed for bulk FCC Ce was suppressed in Ce/Pr superlattices. (orig.)

  13. PA6 and Kevlar fiber reinforced isotactic polypropylene: Structure, mechanical properties and crystallization and melting behavior

    International Nuclear Information System (INIS)

    Zhao, Songfang; Cheng, Lei; Guo, Yong; Zheng, Yuying; Li, Baoming

    2012-01-01

    Highlights: ► KF was modified with caprolactam using toluenediisocyanate (TDI) as bridge. ► Modified KF improves interfacial interaction of iPP/KF/PA6 composites. ► Fiber and nylon 6 inhibited the crystallization of PP continuous phase. -- Abstract: To improve the thermal and mechanical properties of isotactic polypropylene (iPP), iPP/Kevlar fiber (KF)/polyamide 6 (PA6) composites were prepared via the melt-extrusion method on twin-screw extruder. Kevlar fiber was modified with caprolactam using toluenediisocyanate (TDI) as bridge. The microstructure of modified KF was successfully characterized by Fourier transform infrared (FT-IR), X-ray photoelectron spectrometer (XPS) and scanning electron microscopy (SEM), the results showed that KF was bonded with caprolactam and became coarser. Then the modified KF was introduced into iPP, the composites have better mechanical and thermal properties, implying that modification of KF was helpful to improve the interfacial interaction of iPP/KF/PA6 composites. Besides, the crystallization curves indicated that crystallization behavior of PA6 in the composites was homogeneous and fractional. Furthermore, compatibilizer content played an important role in the mechanical and thermal properties of composites.

  14. Plasticity and beyond microstructures, crystal-plasticity and phase transitions

    CERN Document Server

    Hackl, Klaus

    2014-01-01

    The book presents the latest findings in experimental plasticity, crystal plasticity, phase transitions, advanced mathematical modeling of finite plasticity and multi-scale modeling. The associated algorithmic treatment is mainly based on finite element formulations for standard (local approach) as well as for non-standard (non-local approach) continua and for pure macroscopic as well as for directly coupled two-scale boundary value problems. Applications in the area of material design/processing are covered, ranging from grain boundary effects in polycrystals and phase transitions to deep-drawing of multiphase steels by directly taking into account random microstructures.

  15. Amelogenin Affects Brushite Crystal Morphology and Promotes Its Phase Transformation to Monetite

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Dongni; Ruan, Qichao; Tao, Jinhui; Lo, Jonathan; Nutt, Steven; Moradian-Oldak, Janet

    2016-09-07

    Amelogenin protein is involved in organized apatite crystallization during enamel formation. Brushite (CaHPO4·2H2O), which is one of the precursors for hydroxyapatite in in vitro mineralization, has been used for fabrication of biomaterials for hard tissue repair. In order to explore its potential application in biomimetic material synthesis, we studied the influence of amelogenin on brushite morphology and phase transformation to monetite. Our results show that amelogenin can adsorb onto surface of brushite, leading to the formation of layered structures on the (010) face. Amelogenin promoted the phase transformation of brushite into monetite (CaHPO4) in the dry state, presumably by interacting with crystalline water layers in brushite unit cell. Changes to the crystal morphology by amelogenin continued even after the phase transformation to monetite forming an organized nanotextured structure of nano-sticks resembling the bundle structure in enamel.

  16. CRYSTALLIZATION KINETICS OF GLASS-CERAMICS BY DIFFERENTIAL THERMAL ANALYSIS

    Directory of Open Access Journals (Sweden)

    A. NOZAD

    2011-06-01

    Full Text Available The crystallization behavior of fluorphlogopite, a glass-ceramic in the MgO–SiO2–Al2O3–K2O–B2O3–F system, was studied by substitution of Li2O for K2O in the glass composition. DTA, XRD and SEM were used for the study of crystallization behavior, formed phases and microstructure of the resulting glass-ceramics. Crystallization kinetics of the glass was investigated under non-isothermal conditions, using the formal theory of transformations for heterogeneous nucleation. The crystallization results were analyzed, and both the activation energy of crystallization process as well as the crystallization mechanism were characterized. Calculated kinetic parameters indicated that the appropriate crystallization mechanism was bulk crystallization for base glass and the sample with addition of Li2O. Non-isothermal DTA experiments showed that the crystallization activation energies of base glasses was in the range of 234-246 KJ/mol and in the samples with addition of Li2O was changed to the range of 317-322 KJ/mol.

  17. Crystallization and melting behavior of multi-walled carbon nanotube-reinforced nylon-6 composites

    NARCIS (Netherlands)

    Phang, In Yee; Ma, Jianhua; Shen, Lu; Liu, Tianxi; Zhang, Wei-De

    2006-01-01

    The crystallization and melting behavior of neat nylon-6 (PA6) and multi-walled carbon nanotubes (MWNTs)/PA6 composites prepared by simple melt-compounding was comparatively studied. Differential scanning calorimetry (DSC) results show two crystallization exotherms (TCC, 1 and TCC, 2) for PA6/MWNTs

  18. The effects of ruthenium on the phase stability of fourth generation Ni-base single crystal superalloys

    International Nuclear Information System (INIS)

    Sato, Atsushi; Harada, Hiroshi; Yokokawa, Tadaharu; Murakumo, Takao; Koizumi, Yutaka; Kobayashi, Toshiharu; Imai, Hachiro

    2006-01-01

    The formation of topologically close-packed (TCP) phases in nickel-base single crystal superalloys causes considerable degradation of the mechanical properties. It has recently been found that platinum-group metals can be effective in controlling the precipitation of such phases, and this extent of precipitation control requires further investigation. This study compares Ru-containing and non-Ru-containing single crystal superalloys. Scanning electron microscopy microstructural observations showed that the rate of TCP phase precipitations decreased through Ru addition. Transmission electron microscopy microstructural observations showed that the P phase, one of the TCP phases, was eliminated through the addition of Ru. The occurrence of this phenomenon will be discussed

  19. Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.

    Science.gov (United States)

    Zakharov, Boris A; Michalchuk, Adam A L; Morrison, Carole A; Boldyreva, Elena V

    2018-03-28

    The thermosalient effect (crystal jumping on heating) attracts much attention as both an intriguing academic phenomenon and in relation to its potential for the development of molecular actuators but its mechanism remains unclear. 1,2,4,5-Tetrabromobenzene (TBB) is one of the most extensively studied thermosalient compounds that has been shown previously to undergo a phase transition on heating, accompanied by crystal jumping and cracking. The difference in the crystal structures and intermolecular interaction energies of the low- and high-temperature phases is, however, too small to account for the large stress that arises over the course of the transformation. The energy is released spontaneously, and crystals jump across distances that exceed the crystal size by orders of magnitude. In the present work, the anisotropy of lattice strain is followed across the phase transition by single-crystal X-ray diffraction, focusing on the structural evolution from 273 to 343 K. A pronounced lattice softening is observed close to the transition point, with the structure becoming more rigid immediately after the phase transition. The diffraction studies are further supported by theoretical analysis of pairwise intermolecular energies and zone-centre lattice vibrations. Only three modes are found to monotonically soften up to the phase transition, with complex behaviour exhibited by the remaining lattice modes. The thermosalient effect is delayed with respect to the structural transformation itself. This can originate from the martensitic mechanism of the transformation, and the accumulation of stress associated with vibrational switching across the phase transition. The finding of this study sheds more light on the nature of the thermosalient effect in 1,2,4,5-tetrabromobenzene and can be applicable also to other thermosalient compounds.

  20. Temperature effect on phase states of quartz nano-crystals in silicon single crystal

    International Nuclear Information System (INIS)

    Kalanov, M.U.; Ibragimova, E.M.; Khamraeva, R.N.; Rustamova, V.M.; Ummatov, Kh.D.

    2006-01-01

    Full text: Oxygen penetrates into the silicon lattice up to the concentration of 2·10 18 cm -3 in the course of growing [1]. By the author's opinion at a low oxygen content the formation of solid solution is possible in the local defect places of the silicon single crystal lattice due to the difference in effective ion radius of oxygen and silicon (r O 0.176 and r Si = 0.065 nm). Upon reaching some critical content (∼ 10 17 cm -3 ), it becomes favorable energetically for oxygen ions to form precipitates (SiO x ) and finally a dielectric layer (stoichiometric inclusions of SiO 2 ). It was shown later that depending on the growth conditions, indeed the quartz crystal inclusions are formed in the silicon single crystals at an amount of 0.3 /0.5 wt. % [2]. However the authors did not study a phase state of the quartz inclusions. Therefore the aim of this work was to study a phase state of the quartz inclusions in silicon crystal at various temperatures. We examined the silicon single crystals grown by Czochralski technique, which were cut in (111) plane in the form of disk of 20 mm diameter and 1.5 thickness and had hole conductivity with the specific resistance ρ o ≅ 1/10 Ohm cm. The dislocation density was N D ≅ 10 1 /10 3 cm -2 , the concentrations of oxygen and boron were N 0 ≅ 2/ 4·10 17 cm -3 and N B ≅ 3*10 15 cm -3 . Structure was analyzed at the set-up DRON-UM1 with high temperature supply UVD-2000 ( CuK = 0.1542 nm) at the temperatures of 300, 1173 and 1573 K measured with platinum-platinum-rhodium thermocouple. The high temperature diffraction spectrum measured at 1573 K in the angle range (2Θ≅10/70 d egree ) there is only one main structure reflection (111) with a high intensity and d/n ≅ 0.3136 nm (2 Θ≅ 28.5 d egree ) from the matrix lattice of silicon single crystal. The weak line at 2 Θ≅ 25.5 d egree ( d/n≅0.3136 nm) is β component of the main reflection (111), and the weak structure peak at 2Θ≅59 d egree ( d/n≅ 0.1568 nm

  1. Formation, stability and crystal structure of the {sigma} phase in Mo-Re-Si alloys

    Energy Technology Data Exchange (ETDEWEB)

    Bei, H., E-mail: beih@ornl.gov [Oak Ridge National Laboratory, Materials Science and Technology Division, Oak Ridge, TN 37831 (United States); Yang, Y., E-mail: ying.yang@computherm.com [CompuTherm LLC, Madison, WI 53719 (United States); Viswanathan, G.B. [Air Force Research Laboratory, Wright-Patterson AFB, OH 45433 (United States); Rawn, C.J.; George, E.P. [Oak Ridge National Laboratory, Materials Science and Technology Division, Oak Ridge, TN 37831 (United States)] [University of Tennessee, Department of Materials Science and Engineering, Knoxville, TN 37996 (United States); Tiley, J. [Air Force Research Laboratory, Wright-Patterson AFB, OH 45433 (United States); Chang, Y.A. [CompuTherm LLC, Madison, WI 53719 (United States)] [University of Wisconsin-Madison, Madison, WI 53705 (United States)

    2010-10-15

    The formation, stability and crystal structure of the {sigma} phase in Mo-Re-Si alloys were investigated. Guided by thermodynamic calculations, six critically selected alloys were arc melted and annealed at 1600 deg. C for 150 h. Their as-cast and annealed microstructures, including phase fractions and distributions, the compositions of the constituent phases and the crystal structure of the {sigma} phase were analyzed by thermodynamic modeling coupled with experimental characterization by scanning electron microscopy, electron probe microanalysis, X-ray diffraction and transmission electron microscopy. Two key findings resulted from this work. One is the large homogeneity range of the {sigma} phase region, extending from binary Mo-Re to ternary Mo-Re-Si. The other is the formation of a {sigma} phase in Mo-rich alloys either through the peritectic reaction of liquid + Mo{sub ss} {yields} {sigma} or primary solidification. These findings are important in understanding the effects of Re on the microstructure and providing guidance on the design of Mo-Re-Si alloys.

  2. Phase field simulations of ice crystal growth in sugar solutions

    NARCIS (Netherlands)

    Sman, Van Der R.G.M.

    2016-01-01

    We present the first model ever, that describes explicitly ice crystal growth in a sugar solution during freezing. This 2-D model uses the phase field method, supplemented with realistic, and predictive theories on the thermodynamics and (diffusion) kinetics of this food system. We have to make

  3. Photon Cascade from a Single Crystal Phase Nanowire Quantum Dot

    DEFF Research Database (Denmark)

    Bouwes Bavinck, Maaike; Jöns, Klaus D; Zieliński, Michal

    2016-01-01

    . We notice that the emission spectra consist often of two peaks close in energy, which we explain with a comprehensive theory showing that the symmetry of the system plays a crucial role for the hole levels forming hybridized orbitals. Our results state that crystal phase quantum dots have promising...

  4. Composition, phase behavior and thermal stability of natural edible fat from rambutan (Nephelium lappaceum L.) seed.

    Science.gov (United States)

    Solís-Fuentes, Julio A; Camey-Ortíz, Guadalupe; Hernández-Medel, María del Rosario; Pérez-Mendoza, Francisco; Durán-de-Bazúa, Carmen

    2010-01-01

    In this paper, the chemical composition, the main physicochemical properties, phase behavior and thermal stability of rambutan (Nephelium lappaceum L.) seed fat were studied. These results showed that the almond-like decorticated seed represents 6.1% of the wet weight fruit and is: 1.22% ash, 7.80% protein, 11.6% crude fiber, 46% carbohydrates, and 33.4% fat (d.b.). The main fatty acids in the drupe fat were 40.3% oleic, 34.5% arachidic, 6.1% palmitic, 7.1% stearic, 6.3% gondoic, and 2.9% behenic; the refraction, saponification and iodine values were 1.468, 186, and 47.0, respectively. The phase behavior analysis showed relatively simple crystallization and melting profiles: crystallization showed three well-differentiated groups of triglycerides around maximum peaks at +30.8, +15.6 and -18.1 degrees C; the fat-melting curve had a range between -14.5 and +51.8 degrees C with a fusion enthalpy of 124.3 J/g. The thermal stability analyzed in an inert atmosphere of N(2) and in a normal oxidizing atmosphere, showed that in the latter, fat decomposition begins at 237.3 degrees C and concludes at 529 degrees C, with three stages of decomposition. According to these results, rambutan seed fat has physicochemical and thermal characteristics that may become interesting for specific applications in several segments of the food industry.

  5. A thermodynamic framework for the study of crystallization in polymers

    Science.gov (United States)

    Rao, I. J.; Rajagopal, K. R.

    In this paper, we present a new thermodynamic framework within the context of continuum mechanics, to predict the behavior of crystallizing polymers. The constitutive models that are developed within this thermodynamic setting are able to describe the main features of the crystallization process. The model is capable of capturing the transition from a fluid like behavior to a solid like behavior in a rational manner without appealing to any adhoc transition criterion. The anisotropy of the crystalline phase is built into the model and the specific anisotropy of the crystalline phase depends on the deformation in the melt. These features are incorporated into a recent framework that associates different natural configurations and material symmetries with distinct microstructural features within the body that arise during the process under consideration. Specific models are generated by choosing particular forms for the internal energy, entropy and the rate of dissipation. Equations governing the evolution of the natural configurations and the rate of crystallization are obtained by maximizing the rate of dissipation, subject to appropriate constraints. The initiation criterion, marking the onset of crystallization, arises naturally in this setting in terms of the thermodynamic functions. The model generated within such a framework is used to simulate bi-axial extension of a polymer film that is undergoing crystallization. The predictions of the theory that has been proposed are consistent with the experimental results (see [28] and [7]).

  6. Creating physically-based three-dimensional microstructures: Bridging phase-field and crystal plasticity models.

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Hojun [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Owen, Steven J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Abdeljawad, Fadi F. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Hanks, Byron [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Battaile, Corbett Chandler [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-09-01

    In order to better incorporate microstructures in continuum scale models, we use a novel finite element (FE) meshing technique to generate three-dimensional polycrystalline aggregates from a phase field grain growth model of grain microstructures. The proposed meshing technique creates hexahedral FE meshes that capture smooth interfaces between adjacent grains. Three dimensional realizations of grain microstructures from the phase field model are used in crystal plasticity-finite element (CP-FE) simulations of polycrystalline a -iron. We show that the interface conformal meshes significantly reduce artificial stress localizations in voxelated meshes that exhibit the so-called "wedding cake" interfaces. This framework provides a direct link between two mesoscale models - phase field and crystal plasticity - and for the first time allows mechanics simulations of polycrystalline materials using three-dimensional hexahedral finite element meshes with realistic topological features.

  7. Synthesis and crystallization behavior of 3 mol% yttria stabilized tetragonal zirconia polycrystals (3Y-TZP) nanosized powders prepared using a simple co-precipitation process

    Energy Technology Data Exchange (ETDEWEB)

    Hsu, Yu-Wei [Graduate Institute of Applied Science, National Kaohsiung University of Applied Sciences, 415 Chien-Kung Road, Kaohsiung 80782, Taiwan (China); Yang, Ko-Ho, E-mail: yangkoho@cc.kuas.edu.tw [Graduate Institute of Applied Science, National Kaohsiung University of Applied Sciences, 415 Chien-Kung Road, Kaohsiung 80782, Taiwan (China); Department of Mold and Die Engineering, National Kaohsiung University of Applied Sciences, 415 Chien-Kung Road, Kaohsiung 80782, Taiwan (China); Chang, Kuo-Ming [Department of Mechanical Engineering, National Kaohsiung University of Applied Sciences, 415 Chien-Kung Road, Kaohsiung 80782, Taiwan (China); Dental Materials Research Center, National Kaohsiung University of Applied Sciences, 415 Chien-Kung Road, Kaohsiung 80782, Taiwan (China); Yeh, Sung-Wei [Metal Industries Research and Development Centre, 1001 Kaohsiung Highway, Kaohsiung 811, Taiwan (China); Wang, Moo-Chin, E-mail: mcwang@kmu.edu.tw [Department of Fragrance and Cosmetics Science, Kaohsiung Medical University, 100, Shihchuan 1st Road, Kaohsiung 80728, Taiwan (China)

    2011-06-16

    Highlights: > The thermal behavior of 3Y-TZP precursor powders had been investigated. > The crystallization behavior of 3Y-TZP nanopowders had been investigated. > The activation energy for crystallization of tetragonal ZrO{sub 2} was obtained. > The growth morphology parameter n is approximated as 2.0. > The crystallites show a plate-like morphology. - Abstract: The synthesis and crystallization behavior of 3 mol% yttria stabilized tetragonal zirconia polycrystals (3Y-TZP) nanopowders prepared using a simple co-precipitation process at 348 K and pH = 7 were investigated using differential scanning calorimetry/thermogravimetry (DSC/TG), an X-ray diffractometer (XRD), the Raman spectra, transmission electron microscopy (TEM), selected area electron diffraction (SAED), and an energy dispersive spectrometer (EDS). The activation energy of tetragonal ZrO{sub 2} crystallization from 3Y-TZP freeze-dried precursor powders using a non-isothermal method, namely, 169.2 {+-} 21.9 kJ mol{sup -1}, was obtained. The growth morphology parameter n was approximated as 2.0, which indicated that it had a plate-like morphology. The XRD, Raman spectra, and SAED patterns showed that the phase of the tetragonal ZrO{sub 2} was maintained at 1273 K. The crystallite size of 3Y-TZP freeze-dried precursor powders calcined at 1273 K for 5 min was 21.3 nm.

  8. Synthesis and crystallization behavior of 3 mol% yttria stabilized tetragonal zirconia polycrystals (3Y-TZP) nanosized powders prepared using a simple co-precipitation process

    International Nuclear Information System (INIS)

    Hsu, Yu-Wei; Yang, Ko-Ho; Chang, Kuo-Ming; Yeh, Sung-Wei; Wang, Moo-Chin

    2011-01-01

    Highlights: → The thermal behavior of 3Y-TZP precursor powders had been investigated. → The crystallization behavior of 3Y-TZP nanopowders had been investigated. → The activation energy for crystallization of tetragonal ZrO 2 was obtained. → The growth morphology parameter n is approximated as 2.0. → The crystallites show a plate-like morphology. - Abstract: The synthesis and crystallization behavior of 3 mol% yttria stabilized tetragonal zirconia polycrystals (3Y-TZP) nanopowders prepared using a simple co-precipitation process at 348 K and pH = 7 were investigated using differential scanning calorimetry/thermogravimetry (DSC/TG), an X-ray diffractometer (XRD), the Raman spectra, transmission electron microscopy (TEM), selected area electron diffraction (SAED), and an energy dispersive spectrometer (EDS). The activation energy of tetragonal ZrO 2 crystallization from 3Y-TZP freeze-dried precursor powders using a non-isothermal method, namely, 169.2 ± 21.9 kJ mol -1 , was obtained. The growth morphology parameter n was approximated as 2.0, which indicated that it had a plate-like morphology. The XRD, Raman spectra, and SAED patterns showed that the phase of the tetragonal ZrO 2 was maintained at 1273 K. The crystallite size of 3Y-TZP freeze-dried precursor powders calcined at 1273 K for 5 min was 21.3 nm.

  9. Fluctuation effects in bulk polymer phase behavior

    International Nuclear Information System (INIS)

    Bates, F.S.; Rosedale, J.H.; Stepanek, P.; Lodge, T.P.; Wiltzius, P.; Hjelm R, Jr.; Fredrickson, G.H.

    1990-01-01

    Bulk polymer-polymer, and block copolymer, phase behaviors have traditionally been interpreted using mean-field theories. Recent small-angle neutron scattering (SANS) studies of critical phenomena in model binary polymer mixtures confirm that non-mean-field behavior is restricted to a narrow range of temperatures near the critical point, in close agreement with the Ginzburg criterion. In contrast, strong derivations from mean-field behavior are evident in SANS and rheological measurements on model block copolymers more than 50C above the order-disorder transition (ODT), which can be attributed to sizeable composition fluctuations. Such fluctuation effects undermine the mean-field assumption, conventionally applied to bulk polymers, and result in qualitative changes in phase behavior, such as the elimination of a thermodynamic stability limit in these materials. The influence of fluctuation effects on block copolymer and binary mixture phase behavior is compared and contrasted in this presentation

  10. Crystal growth and magneto-transport behavior of PdS1-δ

    Science.gov (United States)

    Cao, Lin; Lv, Yang-Yang; Chen, Si-Si; Li, Xiao; Zhou, Jian; Yao, Shu-Hua; Chen, Y. B.; Lu, Minghui; Chen, Yan-Feng

    2018-04-01

    PdS is theoretically proposed to novel topological material with eight-band fermions. Here, PdS1-δ crystals were successfully grown from KI as solvent by modified flux method. The single crystalline quality and compositional homogeneity of grown PdS1-δ are characterized by X-ray diffraction and energy dispersion spectroscopy. Temperature dependent electrical transport property of PdS1-δ demonstrates a semiconductor-like behavior. Analysis of temperature-dependent resistance indicates that there is variable-range-hopping behavior at low temperature. The clear negative MR of PdS1-δ single crystals is measured at the low temperature (interaction between conducting carriers and localized moments. however, the magneto-transport results have not shown the clues of topological feature of PdS.

  11. Modeling of Thermal Phase Noise in a Solid Core Photonic Crystal Fiber-Optic Gyroscope.

    Science.gov (United States)

    Song, Ningfang; Ma, Kun; Jin, Jing; Teng, Fei; Cai, Wei

    2017-10-26

    A theoretical model of the thermal phase noise in a square-wave modulated solid core photonic crystal fiber-optic gyroscope has been established, and then verified by measurements. The results demonstrate a good agreement between theory and experiment. The contribution of the thermal phase noise to the random walk coefficient of the gyroscope is derived. A fiber coil with 2.8 km length is used in the experimental solid core photonic crystal fiber-optic gyroscope, showing a random walk coefficient of 9.25 × 10 -5 deg/√h.

  12. Microscopic Mechanism of Doping-Induced Kinetically Constrained Crystallization in Phase-Change Materials.

    Science.gov (United States)

    Lee, Tae Hoon; Loke, Desmond; Elliott, Stephen R

    2015-10-07

    A comprehensive microscopic mechanism of doping-induced kinetically constrained crystallization in phase-change materials is provided by investigating structural and dynamical dopant characteristics via ab initio molecular dynamics simulations. The information gained from this study may provide a basis for a fast screening of dopant species for electronic memory devices, or for understanding the general physics involved in the crystallization of doped glasses. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Preparation of Lead Magnesium Niobate-Lead Zirconate Titanate Films and Their Crystallization Behaviors

    International Nuclear Information System (INIS)

    Tursiloadi, Silvester

    2002-01-01

    The thin films with composition near morpotropic phase boundary (MPB) of the system xPb(Mg 1 /3, Nb 2 /3) O 3 -yPbTiO 3 -zPbZrO 3 (x = 0-0.35, y = 0.47 and z = 0.53), were prepared by sol-gel method. The starting materials were consisted of Pb(iso-OC 3 H 7 ) 2 , Zr(n-OC 4 H 9 ) 4 , Ti(iso-OC 3 H 7 ) 4 , Mg(CH 3 COO) 2 4H 2 O and Nb(OC 2 H 5 ) 5 . The l-propanol was used as solvent. The concentration of PMN-PT-PZ in coating solution was 0.7 M, and the pH of the solution was 4.5. The thin films were prepared by dip coating and spin coating. The crystallization behaviors of the PMN-PT-PZ thin films showed that the formation of perovskite phase at low temperature becomes difficult with increasing the content of PMN. The amounts of pyrochlore and perovskite phase in PMN-PT-PZ films depended on the heating temperatures, and PMN contents. Single-phase perovskite was found for the coated films containing 0 and 12.5 mol% after calculating at 600 o C, 21 mol% after calculating at 700 o C, and 30 mol% after calculating at 750 o C. Single-phase perovskite of coated films will never be found when the content of PMN was 35 mol%

  14. Quantum theoretical calculations of activation energies for the mass transfer at phase boundaries of ionic crystals. 4

    International Nuclear Information System (INIS)

    Winzer, A.

    1978-01-01

    It is shown that a direct proportionality exists between the activation energy for the mass transfer at the respective crystal faces of ionic crystals and the frequency of the phonones (longitudinal-optical), Planck's constant being found once more as a proportionality constant. Thus it could be demonstrated that the different activation energies measured at different time intervals for the mass transfer processes at phase boundaries of ionic crystals can be attributed to the specific growth of the crystal faces. Thus, NaCl crystal fractions which were mechanically stressed (pulverized and sifted) and consequently contained a great amount of [111]- and [110]-faces, respectively, experimentally yielded an activation energy which agrees with the values determined by quantum theory when the frequency of propagation of the phonons is inserted into a derived equation. This relation was also confirmed by NaCl crystal fractions predominantly containing cubic faces. This also indicates that in mass transfer processes on phase boundaries of ionic crystals quantum mechanical laws are of importance. (author)

  15. Effect of SiO2/B2O3 Ratio on the Crystallization Behavior and Dielectric Properties of Barium Strontium Titanate Glass-Ceramics Prepared by Sol-Gel Process

    Science.gov (United States)

    Chen, Yongzhou; Zhang, Yong; Song, Xiaozhen; Shen, Ziqin; Zhang, Tianyuan

    2018-05-01

    Ferroelectric glass-ceramics, with a basic composition 90 wt.% (Ba0.65Sr0.35)TiO3-10 wt.% (B2O3-nSiO2) (n = 0.5, 1, 3, 5) were synthesized by the sol-gel method and their phase development and dielectric properties were investigated by differential thermal analysis, x-ray diffraction, field emission scanning electron microscopy, dielectric temperature curves and impedance spectroscopy. From the differential thermal analysis, glass transition and crystallization behavior can be observed. From the x-ray diffraction study, two crystalline phases (Ba,Sr)TiO3 and Ba2TiSi2O8 were formed over the entire composition range of the glass-ceramics. In addition, the main crystal phase has undergone a transformation from (Ba,Sr)TiO3 to Ba2TiSi2O8 with the increase of n. A typical structure in which the crystal phase was surrounded by a glassy matrix has been observed in the scanning electron microscope images. As a result of temperature dependent dielectric property measurements, the dielectric constant increased obviously with the increase of n from 0.5 to 1. Further increasing n led to a reduction of the dielectric constant, which is in coincidence with the variation of the intensity of (Ba,Sr)TiO3 phase with n. According to the impedance spectroscopy analysis and the activation energy calculation, the relaxation peak in both Z″ and M″ data should be attributed to the crystal-glass interface, and the change of conduction mechanism with the increase of SiO2/B2O3 ratio may be attributed to the corresponding transition of the main crystal phase.

  16. Crystal chemistry and temperature behavior of the natural hydrous borate colemanite, a mineral commodity of boron

    Science.gov (United States)

    Lotti, Paolo; Gatta, G. Diego; Demitri, Nicola; Guastella, Giorgio; Rizzato, Silvia; Ortenzi, Marco Aldo; Magrini, Fabrizio; Comboni, Davide; Guastoni, Alessandro; Fernandez-Diaz, Maria Teresa

    2018-05-01

    Colemanite, CaB3O4(OH)3ṡH2O, is the most common hydrous Ca-borate, as well as a major mineral commodity of boron. In this study, we report a thorough chemical analysis and the low-temperature behavior of a natural sample of colemanite by means of a multi-methodological approach. From the chemical point of view, the investigated sample resulted to be relatively pure, its composition being very close to the ideal one, with only a minor substitution of Sr2+ for Ca2+. At about 270.5 K, a displacive phase transition from the centrosymmetric P21/ a to the acentric P21 space group occurs. On the basis of in situ single-crystal synchrotron X-ray (down to 104 K) and neutron diffraction (at 20 K) data, the hydrogen-bonding configuration of both the polymorphs and the structural modifications at the atomic scale at varying temperatures are described. The asymmetric distribution of ionic charges along the [010] axis, allowed by the loss of the inversion center, is likely responsible for the reported ferroelectric behavior of colemanite below the phase transition temperature.

  17. Balance of optical, structural, and electrical properties of textured liquid phase crystallized Si solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Preidel, V., E-mail: veit.preidel@helmholtz-berlin.de; Amkreutz, D.; Haschke, J.; Wollgarten, M.; Rech, B.; Becker, C. [Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Division Renewable Energy, Kekuléstr. 5, 12489 Berlin (Germany)

    2015-06-14

    Liquid phase crystallized Si thin-film solar cells on nanoimprint textured glass substrates exhibiting two characteristic, but distinct different surface structures are presented. The impact of the substrate texture on light absorption, the structural Si material properties, and the resulting solar cell performance is analyzed. A pronounced periodic substrate texture with a vertical feature size of about 1 μm enables excellent light scattering and light trapping. However, it also gives rise to an enhanced Si crystal defect formation deteriorating the solar cell performance. In contrast, a random pattern with a low surface roughness of 45 nm allows for the growth of Si thin films being comparable to Si layers on planar reference substrates. Amorphous Si/crystalline Si heterojunction solar cells fabricated on the low-roughness texture exhibit a maximum open circuit voltage of 616 mV and internal quantum efficiency peak values exceeding 90%, resulting in an efficiency potential of 13.2%. This demonstrates that high quality crystalline Si thin films can be realized on nanoimprint patterned glass substrates by liquid phase crystallization inspiring the implementation of tailor-made nanophotonic light harvesting concepts into future liquid phase crystallized Si thin film solar cells on glass.

  18. CRYSTAL CHEMISTRY OF THREE-COMPONENT WHITE DWARFS AND NEUTRON STAR CRUSTS: PHASE STABILITY, PHASE STRATIFICATION, AND PHYSICAL PROPERTIES

    Energy Technology Data Exchange (ETDEWEB)

    Engstrom, T. A.; Yoder, N. C.; Crespi, V. H., E-mail: tae146@psu.edu, E-mail: ncy5007@psu.edu, E-mail: vhc2@psu.edu [Department of Physics, The Pennsylvania State University, University Park, PA 16802 (United States)

    2016-02-20

    A systematic search for multicomponent crystal structures is carried out for five different ternary systems of nuclei in a polarizable background of electrons, representative of accreted neutron star crusts and some white dwarfs. Candidate structures are “bred” by a genetic algorithm and optimized at constant pressure under the assumption of linear response (Thomas–Fermi) charge screening. Subsequent phase equilibria calculations reveal eight distinct crystal structures in the T = 0 bulk phase diagrams, five of which are complicated multinary structures not previously predicted in the context of compact object astrophysics. Frequent instances of geometrically similar but compositionally distinct phases give insight into structural preferences of systems with pairwise Yukawa interactions, including and extending to the regime of low-density colloidal suspensions made in a laboratory. As an application of these main results, we self-consistently couple the phase stability problem to the equations for a self-gravitating, hydrostatically stable white dwarf, with fixed overall composition. To our knowledge, this is the first attempt to incorporate complex multinary phases into the equilibrium phase-layering diagram and mass–radius-composition dependence, both of which are reported for He–C–O and C–O–Ne white dwarfs. Finite thickness interfacial phases (“interphases”) show up at the boundaries between single-component body-centered cubic (bcc) crystalline regions, some of which have lower lattice symmetry than cubic. A second application—quasi-static settling of heavy nuclei in white dwarfs—builds on our equilibrium phase-layering method. Tests of this nonequilibrium method reveal extra phases that play the role of transient host phases for the settling species.

  19. The cone phase of liquid crystals: Triangular lattice of double-tilt ...

    Indian Academy of Sciences (India)

    (figure 3) and analyse the mechanism which stabilizes it. Liquid crystals are soft ... There is no change in the smectic layer spacing along .... with the case of blue phases of cubic symmetry where the pitch of the helix provides a natural length ...

  20. Phase-resolved pulse propagation through metallic photonic crystal slabs: plasmonic slow light

    Science.gov (United States)

    Schönhardt, Anja; Nau, Dietmar; Bauer, Christina; Christ, André; Gräbeldinger, Hedi; Giessen, Harald

    2017-03-01

    We characterized the electromagnetic field of ultra-short laser pulses after propagation through metallic photonic crystal structures featuring photonic and plasmonic resonances. The complete pulse information, i.e. the envelope and phase of the electromagnetic field, was measured using the technique of cross-correlation frequency resolved optical gating. In good agreement, measurements and scattering matrix simulations show a dispersive behaviour of the spectral phase at the position of the resonances. Asymmetric Fano-type resonances go along with asymmetric phase characteristics. Furthermore, the spectral phase is used to calculate the dispersion of the sample and possible applications in dispersion compensation are investigated. Group refractive indices of 700 and 70 and group delay dispersion values of 90 000 fs2 and 5000 fs2 are achieved in transverse electric and transverse magnetic polarization, respectively. The behaviour of extinction and spectral phase can be understood from an intuitive model using the complex transmission amplitude. An associated depiction in the complex plane is a useful approach in this context. This method promises to be valuable also in photonic crystal and filter design, for example, with regards to the symmetrization of the resonances. This article is part of the themed issue 'New horizons for nanophotonics'.

  1. Determination of the rate of crystal growth from the gas phase under conditions of turbulent free convection

    Science.gov (United States)

    Alad'Ev, S. I.

    1987-04-01

    Crystal growth in vertical and horizontal cylindrical vials, with the substrate and the source serving as the vial ends, is investigated analytically, assuming that the medium consists of a binary mixture of an active and an inert gas. The active gas is made up of the gaseous products of reactions taking place at the substrate and at the source. It is shown that turbulent free convection leads to an increase in crystal growth rate. All other conditions being equal, crystal growth in vertical vials is greater than that in horizontal ones; in both cases crystal growth rate increases with the vial radius, temperature gradient in the gas phase, and gas phase density. The results are compared with experimental data on the growth of Ge crystals in the Ge-GeI4 system.

  2. Kinetic and thermodynamic aspects of crystallization in the phase-change material Ge{sub 15}Sb{sub 85}

    Energy Technology Data Exchange (ETDEWEB)

    Zalden, Peter; Klein, Michael; Wuttig, Matthias [I. Physikalisches Institut, RWTH Aachen University (Germany); Coulet, Vanessa [IM2NP - UMR CNRS 6242, Aix-Marseille Universite, Marseille (France); Bichara, Christophe [CINaM - UPR CNRS 3118, Marseille (France)

    2009-07-01

    Phase-change materials exhibit a very rare combination of properties as they do not only show crystallization on the nanosecond time scale but also show a pronounced change of the optical reflectivity and the electronic resistivity upon crystallization. This property combination is already exploited in rewritable optical data storage and is explored in phase-change memories (PCM), which are considered to be the most promising candidate for future non-volatile electronic data storage. In this study, structural modifications in sputtered thin films during the transition from the as-deposited amorphous to the crystalline phase are analysed, employing a combination of differential scanning calorimetry and X-ray diffraction. This survey includes a systematic study of heat capacities and transition temperatures for different annealing conditions in the amorphous and partially crystallized state. In addition, diffractograms have been recorded ex-situ during different stages of the thermal treatment. These results indicate a segregation of a Ge-rich phase. A comparison to conventional tellurium based phase-change materials is presented.

  3. From Modeling of Plasticity in Single-Crystal Superalloys to High-Resolution X-rays Three-Crystal Diffractometer Peaks Simulation

    Science.gov (United States)

    Jacques, Alain

    2016-12-01

    The dislocation-based modeling of the high-temperature creep of two-phased single-crystal superalloys requires input data beyond strain vs time curves. This may be obtained by use of in situ experiments combining high-temperature creep tests with high-resolution synchrotron three-crystal diffractometry. Such tests give access to changes in phase volume fractions and to the average components of the stress tensor in each phase as well as the plastic strain of each phase. Further progress may be obtained by a new method making intensive use of the Fast Fourier Transform, and first modeling the behavior of a representative volume of material (stress fields, plastic strain, dislocation densities…), then simulating directly the corresponding diffraction peaks, taking into account the displacement field within the material, chemical variations, and beam coherence. Initial tests indicate that the simulated peak shapes are close to the experimental ones and are quite sensitive to the details of the microstructure and to dislocation densities at interfaces and within the soft γ phase.

  4. Effect of irradiation on differential thermal properties and crystallization behavior of some lithium borate glasses

    International Nuclear Information System (INIS)

    El-Alaily, N.A.; Mohamed, R.M.

    2001-01-01

    Differential thermal properties and the crystallization behavior of binary system Li 2 O-B 2 O 3 glasses were investigated. The effects of the presence of oxides of aluminum, lead or one of the transition metals TiO 2 or V 2 O 5 or Fe 2 O 3 in the parent glass were also studied. The effects of three different heat treatments on the crystalline structure of all the studied glasses were also investigated. The results showed that all glass samples were amorphous before the heat treatment, with the most common formed phase being tetraborate Li 2 B 8 O 13 (Li 2 O-4B 2 O 3 ). The exposure of the glass samples to either gamma rays or fast neutrons resulted in considerable changes in their thermal behavior. The results also showed that T g increases for all studied glasses when subjected to irradiation either by fast neutron or gamma rays, while T c decreased only at higher doses

  5. Modulated crystal structures of VII and V phases in (NH4)3H(SO4)2. I. Neutron Laue diffraction

    International Nuclear Information System (INIS)

    McIntyre, G.; Smirnov, L.S.; Baranov, A.I.; Dolbinina, V.V.; Frontas'eva, M.V.; Pavlov, S.S.; Pankratova, Yu.S.

    2010-01-01

    The study of crystal structures of VII and V phases of (NH 4 ) 3 H(SO 4 ) 2 by means of neutron Laue diffraction is carried out at temperatures from 5 to 300 K. It is found that crystal structures of VII and V phases have incommensurate modulation with different periods, and phase transition from phase VII to phase V is transition of the first type

  6. A Cosserat crystal plasticity and phase field theory for grain boundary migration

    Science.gov (United States)

    Ask, Anna; Forest, Samuel; Appolaire, Benoit; Ammar, Kais; Salman, Oguz Umut

    2018-06-01

    The microstructure evolution due to thermomechanical treatment of metals can largely be described by viscoplastic deformation, nucleation and grain growth. These processes take place over different length and time scales which present significant challenges when formulating simulation models. In particular, no overall unified field framework exists to model concurrent viscoplastic deformation and recrystallization and grain growth in metal polycrystals. In this work a thermodynamically consistent diffuse interface framework incorporating crystal viscoplasticity and grain boundary migration is elaborated. The Kobayashi-Warren-Carter (KWC) phase field model is extended to incorporate the full mechanical coupling with material and lattice rotations and evolution of dislocation densities. The Cosserat crystal plasticity theory is shown to be the appropriate framework to formulate the coupling between phase field and mechanics with proper distinction between bulk and grain boundary behaviour.

  7. Surface-induced ordering of a liquid crystal in the isotropic phase

    International Nuclear Information System (INIS)

    Miyano, K.

    1979-01-01

    A detailed account of a measurement of order parameter of a liquid crystal at the boundary by means of the wall-induced pretransitional birefringence is given. Several surface treatments were studied including surfactants and evaporated films. Although all treatments produced good alignment in the nematic phase, the boundary order parameter (hence the strength of the aligning force) in the isotropic phase differed very much depending on the treatment, indicating the diverse nature of the alignment process

  8. Crystal growth and electronic structure of low-temperature phase SrMgF{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Atuchin, Victor V. [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090 (Russian Federation); Functional Electronics Laboratory, Tomsk State University, Tomsk 634050 (Russian Federation); Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Goloshumova, Alina A. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 630090 (Russian Federation); Isaenko, Ludmila I. [Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 630090 (Russian Federation); Jiang, Xingxing [BCCRD, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Lobanov, Sergey I. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 630090 (Russian Federation); Zhang, Zhaoming [Australian Nuclear Science & Technology Organisation, Lucas Heights, NSW 2234 (Australia); Lin, Zheshuai, E-mail: zslin@mail.ipc.ac.cn [BCCRD, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China)

    2016-04-15

    Using the vertical Bridgman method, the single crystal of low temperature phase SrMgF{sub 4} is obtained. The crystal is in a very good optical quality with the size of 10×7×5 mm{sup 3}. Detailed photoemission spectra of the element core levels are determined by a monochromatic AlKa (1486.6 eV) X-ray source. Moreover, the first-principles calculations are performed to investigate the electronic structure of SrMgF{sub 4}. A good agreement between experimental and calculated results is achieved. It is demonstrated that almost all the electronic orbitals are strongly localized and the hybridization with the others is very small, but the Mg–F bonds covalency is relatively stronger than that of Sr–F bonds. - Graphical abstract: Large size of low-temperature phase SrMgF{sub 4} crystal was obtained (right) and its electronic structure was investigated by X-ray photoelectron spectroscopy and first-principles calculation (left). - Highlights: • Large size single crystal of low-temperature phase SrMgF{sub 4} is obtained. • Electronic structure of SrMgF{sub 4} is measured by X-ray photoelectron spectroscopy. • Partial densities of states are determined by first-principles calculation. • Good agreement between experimental and calculated results is achieved. • Strong ionic characteristics of chemical bonds are exhibited in SrMgF{sub 4}.

  9. Growth of NH4Cl Single Crystal from Vapor Phase in Vertical Furnace

    Science.gov (United States)

    Nigara, Yutaka; Yoshizawa, Masahito; Fujimura, Tadao

    1983-02-01

    A pure and internally stress-free single crystal of NH4Cl was grown successfully from the vapor phase. The crystal measured 1.6 cmφ× 2 cm and had the disordered CsCl structure, which was stable below 184°C. The crystal was grown in an ampoule in a vertical furnace, in which the vapor was efficiently transported both by diffusion and convection. In line with the growth mechanism of a single crystal, the temperature fluctuation (°C/min) on the growth interface was kept smaller than the product of the temperature gradient (°C/cm) and the growth rate (cm/min). The specific heat of the crystal was measured around -31°C (242 K) during cooling and heating cycles by AC calorimetry. The thermal hysteresis (0.4 K) obtained here was smaller than that (0.89 K) of an NH4Cl crystal grown from its aqueous solution with urea added as a habit modifier.

  10. Illusion optics via one-dimensional ultratransparent photonic crystals with shifted spatial dispersions.

    Science.gov (United States)

    Yao, Zhongqi; Luo, Jie; Lai, Yun

    2017-12-11

    In this work, we propose that one-dimensional ultratransparent dielectric photonic crystals with wide-angle impedance matching and shifted elliptical equal frequency contours are promising candidate materials for illusion optics. The shift of the equal frequency contour does not affect the refractive behaviors, but enables a new degree of freedom in phase modulation. With such ultratransparent photonic crystals, we demonstrate some applications in illusion optics, including creating illusions of a different-sized scatterer and a shifted source with opposite phase. Such ultratransparent dielectric photonic crystals may establish a feasible platform for illusion optics devices at optical frequencies.

  11. Magnetic islands modelled by a phase-field-crystal approach

    Science.gov (United States)

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

    2018-03-01

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

  12. Crystallization and degradation behaviors of poly(butylene succinate)/poly(Z-L-lysine) composites

    International Nuclear Information System (INIS)

    Tan, Licheng; Hu, Jun; Ye, Suwen; Wei, Junchao; Chen, Yiwang

    2014-01-01

    Highlights: • A new biodegradable poly(butylene succinate) (PBS)/poly(Z-L-lysine) (PZlys) composites were successfully prepared through physical blend. • PZlys may greatly affected the crystallization behaviors of PBS without changing its crystalline structure. • The degradation speed of PBS may be greatly accelerated by introduction of PZlys in PBS matrix. - Abstract: A new type of biodegradable poly(butylene succinate) (PBS)/poly(Z-L-lysine) (PZlys) composites were prepared. The crystallization behaviors were investigated by differential scanning calorimetry (DSC), wide angle X-ray diffraction (WAXD) and polarizing optical microscopy (POM) and the results showed that PZlys can restrict the crystallization of PBS, the crystallization speed of PBS/PZlys were slower than that of PBS, and the crystallization degree of the composites were smaller than that of PBS. However, the WAXD results showed that the incorporation of PZlys did not change the crystalline structure of PBS. The in vitro degradation experiments demonstrated that the degradation speed of the composites were faster than that of PBS. Moreover, the mechanical properties of the composites showed that the composites with a proper composition (for example, 80/20) can keep the mechanical properties of PBS without evident difference, which implied that the composites might be potentially useful as biodegradable materials

  13. Formamidinium iodide: crystal structure and phase transitions

    Directory of Open Access Journals (Sweden)

    Andrey A. Petrov

    2017-04-01

    Full Text Available At a temperature of 100 K, CH5N2+·I− (I, crystallizes in the monoclinic space group P21/c. The formamidinium cation adopts a planar symmetrical structure [the r.m.s. deviation is 0.002 Å, and the C—N bond lengths are 1.301 (7 and 1.309 (8 Å]. The iodide anion does not lie within the cation plane, but deviates from it by 0.643 (10 Å. The cation and anion of I form a tight ionic pair by a strong N—H...I hydrogen bond. In the crystal of I, the tight ionic pairs form hydrogen-bonded zigzag-like chains propagating toward [20-1] via strong N—H...I hydrogen bonds. The hydrogen-bonded chains are further packed in stacks along [100]. The thermal behaviour of I was studied by different physicochemical methods (thermogravimetry, differential scanning calorimetry and powder diffraction. Differential scanning calorimetry revealed three narrow endothermic peaks at 346, 387 and 525 K, and one broad endothermic peak at ∼605 K. The first and second peaks are related to solid–solid phase transitions, while the third and fourth peaks are attributed to the melting and decomposition of I. The enthalpies of the phase transitions at 346 and 387 K are estimated as 2.60 and 2.75 kJ mol−1, respectively. The X-ray powder diffraction data collected at different temperatures indicate the existence of I as the monoclinic (100–346 K, orthorhombic (346–387 K and cubic (387–525 K polymorphic modifications.

  14. Phase behavior and formation of o/w nano-emulsion in vegetable oil/ mixture of polyglycerol polyricinoleate and polyglycerin fatty acid ester/water systems.

    Science.gov (United States)

    Wakisaka, Satoshi; Nakanishi, Masami; Gohtani, Shoichi

    2014-01-01

    It is reported that mixing polyglycerol polyricinoleate (PGPR) and polyglycerol laurilester has a great emulsifying capacity, and consequently fine oil-in-water (o/w) emulsions can be formed. However, the role of PGPR is not clear. The objective of this research is to investigate the phase behavior of vegetable oil/mixture of PGPR and polyglycerol fatty acid ester/water systems, and to clarify the role of PGPR in making a fine emulsion. Phase diagrams were constructed to elucidate the optimal process for preparing fine emulsions. In all the systems examined in this study, the phases, including the liquid crystal phase (L(c)) and sponge phase (L(3)), spread widely in the phase diagrams. We examined droplet size of the emulsions prepared from each phase and found that o/w nano-emulsions with droplet sizes as small as 50 nm were formed by emulsifying either from a single L(3) phase or a two-phase region, L(c) + L(3). These results indicate that a sponge phase L(3) or liquid crystal phase L(c) or both is necessary to form an o/w nano-emulsion whose average droplet diameter is less than 50 nm for PGPR and polyglycerin fatty acid ester mixtures used as surfactant.

  15. Structural study of intermediate phase in layered perovskite SrBi sub 2 Ta sub 2 O sub 9 single crystal

    CERN Document Server

    Onodera, A; Yamashita, H

    2003-01-01

    The crystal structure of an intermediate phase of Bi-layered ferroelectric SrBi sub 2 Ta sub 2 O sub 9 single crystals was studied by means of X-ray diffraction. An analysis of the extinction rules and X-ray intensities demonstrated that the crystal structure is orthorhombic with space group A2 sub 1 am in the ferroelectric phase and Amam in the intermediate phase; this conclusion is in good agreement with the findings of previous powder neutron diffraction studies.

  16. PRECIPITATION BEHAVIOR OF Co PHASES IN B2-ORDERED(Ni,Co)Al COMPOUND

    Institute of Scientific and Technical Information of China (English)

    W.H. Tian; A.L. Fan; M. Nemoto

    2002-01-01

    The precipitation behavior of Co phases in B2-ordered (Ni, Co)Al has been investigatedin terms of transmission electron microscopy. Fine precipitation off cc-Co occurs in(Ni, Co)Al by aging at temperature over 973K. The orientation relationship betweenthe fcc-Co precipitates and the B2-(Ni, Co)Al matrix follows the Kurdjumow-Sachs(K-S) orientation relation. But when the aging temperature is under 873K the Coprecipitates have a hcp crystal structure. The orientation relationship between thehcp-Co precipitates and the B2-(Ni, Co)Al matrix follows the Burgers orientation re-lation. (Ni, Co)Al is hardened appreciably by the fine precipitation of both the fcc-Coand hcp-Co phases. The temperature dependence of the yield strength of precipitate-containing B2-ordered (Ni, Co)Al was investigated by compression tests over the rangeof 298-1273K. The fine precipitation of Co phases enhances greatly the low and in-termediate temperature yield strength. When the deformation temperature was over873K, the strength of precipitate-containing (Ni, Co)Al is comparable to ternary dual-phase (Ni, Co)Al+Ni3Al alloy.

  17. Dynamic Diffraction Studies on the Crystallization, Phase Transformation, and Activation Energies in Anodized Titania Nanotubes

    Directory of Open Access Journals (Sweden)

    Hani Albetran

    2018-02-01

    Full Text Available The influence of calcination time on the phase transformation and crystallization kinetics of anodized titania nanotube arrays was studied using in-situ isothermal and non-isothermal synchrotron radiation diffraction from room temperature to 900 °C. Anatase first crystallized at 400 °C, while rutile crystallized at 550 °C. Isothermal heating of the anodized titania nanotubes by an increase in the calcination time at 400, 450, 500, 550, 600, and 650 °C resulted in a slight reduction in anatase abundance, but an increase in the abundance of rutile because of an anatase-to-rutile transformation. The Avrami equation was used to model the titania crystallization mechanism and the Arrhenius equation was used to estimate the activation energies of the titania phase transformation. Activation energies of 22 (10 kJ/mol for the titanium-to-anatase transformation, and 207 (17 kJ/mol for the anatase-to-rutile transformation were estimated.

  18. Dynamic Diffraction Studies on the Crystallization, Phase Transformation, and Activation Energies in Anodized Titania Nanotubes.

    Science.gov (United States)

    Albetran, Hani; Vega, Victor; Prida, Victor M; Low, It-Meng

    2018-02-23

    The influence of calcination time on the phase transformation and crystallization kinetics of anodized titania nanotube arrays was studied using in-situ isothermal and non-isothermal synchrotron radiation diffraction from room temperature to 900 °C. Anatase first crystallized at 400 °C, while rutile crystallized at 550 °C. Isothermal heating of the anodized titania nanotubes by an increase in the calcination time at 400, 450, 500, 550, 600, and 650 °C resulted in a slight reduction in anatase abundance, but an increase in the abundance of rutile because of an anatase-to-rutile transformation. The Avrami equation was used to model the titania crystallization mechanism and the Arrhenius equation was used to estimate the activation energies of the titania phase transformation. Activation energies of 22 (10) kJ/mol for the titanium-to-anatase transformation, and 207 (17) kJ/mol for the anatase-to-rutile transformation were estimated.

  19. X-ray and neutron single crystal diffraction on (NH4)3H(SO4)2. II. Refinement of crystal structure of phase II at room temperature

    International Nuclear Information System (INIS)

    Reehuis, M.; Wozniak, K.; Dominiak, P.; Smirnov, L.S.; Natkaniec, I.; Baranov, A.I.; Dolbinina, V.V.

    2006-01-01

    The (NH 4 ) 3 H(SO 4 ) 2 is of special interest due to the possible influence of ammonium ions on a series of phase transitions: I => II => III => IV => V => VII. Earlier, the X-ray single crystal diffraction study of phase II of (NH 4 ) 3 H(SO 4 ) 2 showed that the crystal structure of this compound has two crystallographically independent groups of ammonium ions NH 4 (1) and NH 4 (2), but orientational positions of these ammonium ions were not determined exactly. The refinement of NH 4 (1) and NH 4 (2) orientational positions in phase II is carried out with the help of the X-ray and neutron single crystal diffraction study. The analyses of differential Fourier maps of electron charge density and nuclear density point out the possibility of disordering of NH 4 (2) ammonium ions

  20. Crystallization of copper metaphosphate glass

    Science.gov (United States)

    Bae, Byeong-Soo; Weinberg, Michael C.

    1993-01-01

    The effect of the valence state of copper in copper metaphosphate glass on the crystallization behavior and glass transition temperature has been investigated. The crystallization of copper metaphosphate is initiated from the surface and its main crystalline phase is copper metaphosphate (Cu(PO)3),independent of the (Cu sup 2+)/(Cu(total)). However, the crystal morphology, the relative crystallization rates, and their temperature dependences are affected by the (Cu sup 2+)/(Cu (total)) ratio in the glass. On the other hand, the totally oxidized glass crystallizes from all over the surface. The relative crystallization rate of the reduced glass to the totally oxidized glass is large at low temperature, but small at high temperature. The glass transition temperature of the glass increases as the (Cu sup 2+)/(Cu(total)) ratio is raised. It is also found that the atmosphere used during heat treatment does not influence the crystallization of the reduced glass, except for the formation of a very thin CuO surface layer when heated in air.

  1. Crystallization and atomic diffusion behavior of high coercive Ta/Nd-Fe-B/Ta-based permanent magnetic thin film

    Energy Technology Data Exchange (ETDEWEB)

    Tian, Na; Zhang, Xiao; You, Caiyin; Fu, Huarui [Xi' an University of Technology, School of Materials Science and Engineering, Xi' an (China); Shen, Qianlong [Logistics University of People' s Armed Police Force, Tianjin (China)

    2017-06-15

    A high coercivity of about 20.4 kOe was obtained through post-annealing the sputtered Ta/Nd-Fe-B/Ta-based permanent magnetic thin films. Transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS) analyses were performed to investigate the crystallization and atomic diffusion behaviors during post-annealing. The results show that the buffer and capping Ta layers prefered to intermix with Fe and B atoms, and Nd tends to be combined with O atoms. The preferred atomic combination caused the appearance of the soft magnetic phase of Fe-Ta-B, resulting in a kink of the second quadratic magnetic hysteresis loop. The preferred atomic diffusion and phase formation of the thin films were well explained in terms of the formation enthalpy of the various compounds. (orig.)

  2. Synthesis, crystallization behavior and surface modification of Ni-Cr-Si-Fe amorphous alloy

    International Nuclear Information System (INIS)

    Iqbal, M.; Akhter, J.I.; Rajput, M.U.; Mahmood, K.; Hussain, Z.; Hussain, S.; Rafiq, M.

    2011-01-01

    A quaternary Ni/sub 86/Cr/sub 7/Si/sub 4/Fe/sub 3/ amorphous alloy was synthesized by melt spinning technique. Surface modification was done by electron beam melting (EBM), neutron irradiation and gamma-rays. Microstructure of as cast, annealed and modified samples was examined by scanning electron microscope. Crystallization behavior was studied by annealing the samples in vacuum at different temperatures in the range 773-1073 K. Techniques of X-ray diffraction (XRD), differential scanning calorimetry (DSC), scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) were used for characterization. Differential scanning calorimetry (DSC) was conducted at various heating rates in the range 10-40 K/min. Thermal parameters like glass transition temperature T/sub g/, crystallization temperature T/sub x/, supercooled liquid region delta T/sub x/ and reduced glass transition temperature T/sub rg/ were measured. The Ni/sub 86/Cr/sub 7/Si/sub 4/Fe/sub 3/ alloy exhibits wide supercooled liquid region of 60 K indicating good thermal stability. The activation energy was calculated to be 160 +- 4 kJ/mol using Kissinger and Ozawa equations respectively which indicates high resistance against crystallization. The XRD results of the samples annealed at 773 K, 923 K, 973 K and 1073 K/20 min show nucleation of Ni/sub 2/Cr/sub 3/ and NiCrFe crystalline phases. Vickers microhardness of the as cast ribbon was measured to be 680. About 30-50 % increase in hardness was achieved by applying EBM technique. (author)

  3. Spatiotemporal behavior and nonlinear dynamics in a phase conjugate resonator

    Science.gov (United States)

    Liu, Siuying Raymond

    1993-01-01

    The work described can be divided into two parts. The first part is an investigation of the transient behavior and stability property of a phase conjugate resonator (PCR) below threshold. The second part is an experimental and theoretical study of the PCR's spatiotemporal dynamics above threshold. The time-dependent coupled wave equations for four-wave mixing (FWM) in a photorefractive crystal, with two distinct interaction regions caused by feedback from an ordinary mirror, was used to model the transient dynamics of a PCR below threshold. The conditions for self-oscillation were determined and the solutions were used to define the PCR's transfer function and analyze its stability. Experimental results for the buildup and decay times confirmed qualitatively the predicted behavior. Experiments were carried out above threshold to study the spatiotemporal dynamics of the PCR as a function of Pragg detuning and the resonator's Fresnel number. The existence of optical vortices in the wavefront were identified by optical interferometry. It was possible to describe the transverse dynamics and the spatiotemporal instabilities by modeling the three-dimensional-coupled wave equations in photorefractive FWM using a truncated modal expansion approach.

  4. Anisotropic colloids: bulk phase behavior and equilibrium sedimentation

    NARCIS (Netherlands)

    Marechal, M.A.T.

    2009-01-01

    This thesis focuses on the phase behavior of anisotropically shaped (i.e. non-spherical) colloids using computer simulations. Only hard-core interactions between the colloids are taken into account to investigate the effects of shape alone. The bulk phase behavior of three different shapes of

  5. Some effects of ice crystals on the FSSP measurements in mixed phase clouds

    Directory of Open Access Journals (Sweden)

    G. Febvre

    2012-10-01

    Full Text Available In this paper, we show that in mixed phase clouds, the presence of ice crystals may induce wrong FSSP 100 measurements interpretation especially in terms of particle size and subsequent bulk parameters. The presence of ice crystals is generally revealed by a bimodal feature of the particle size distribution (PSD. The combined measurements of the FSSP-100 and the Polar Nephelometer give a coherent description of the effect of the ice crystals on the FSSP-100 response. The FSSP-100 particle size distributions are characterized by a bimodal shape with a second mode peaked between 25 and 35 μm related to ice crystals. This feature is observed with the FSSP-100 at airspeed up to 200 m s−1 and with the FSSP-300 series. In order to assess the size calibration for clouds of ice crystals the response of the FSSP-100 probe has been numerically simulated using a light scattering model of randomly oriented hexagonal ice particles and assuming both smooth and rough crystal surfaces. The results suggest that the second mode, measured between 25 μm and 35 μm, does not necessarily represent true size responses but corresponds to bigger aspherical ice particles. According to simulation results, the sizing understatement would be neglected in the rough case but would be significant with the smooth case. Qualitatively, the Polar Nephelometer phase function suggests that the rough case is the more suitable to describe real crystals. Quantitatively, however, it is difficult to conclude. A review is made to explore different hypotheses explaining the occurrence of the second mode. However, previous cloud in situ measurements suggest that the FSSP-100 secondary mode, peaked in the range 25–35 μm, is likely to be due to the shattering of large ice crystals on the probe inlet. This finding is supported by the rather good relationship between the concentration of particles larger than 20 μm (hypothesized to be ice shattered-fragments measured by the

  6. Crystal structure and phase transitions of sodium potassium niobate perovskites

    Science.gov (United States)

    Tellier, J.; Malic, B.; Dkhil, B.; Jenko, D.; Cilensek, J.; Kosec, M.

    2009-02-01

    This paper presents the crystal structure and the phase transitions of K xNa 1- xNbO 3 (0.4 ≤ x ≤ 0.6). X-ray diffraction measurements were used to follow the change of the unit-cell parameters and the symmetry in the temperature range 100-800 K. At room temperature all the compositions exhibited a monoclinic metric of the unit cell with a small monoclinic distortion (90.32° ≤ β ≤ 90.34°). No major change of symmetry was evidenced in the investigated compositional range, which should be characteristic of the morphotropic phase-boundary region. With increasing temperature, the samples underwent first-order monoclinic-tetragonal and tetragonal-cubic transitions. Only the potassium-rich phases were rhombohedral at 100 K.

  7. Critical current density, vortex dynamics, and phase diagram of single-crystal FeSe

    Science.gov (United States)

    Sun, Yue; Pyon, Sunseng; Tamegai, Tsuyoshi; Kobayashi, Ryo; Watashige, Tatsuya; Kasahara, Shigeru; Matsuda, Yuji; Shibauchi, Takasada

    2015-10-01

    We present a comprehensive study of the vortex pinning and dynamics in a high-quality FeSe single crystal which is free from doping-introduced inhomogeneities and charged quasiparticle scattering because of its innate superconductivity. The critical current density Jc is found to be almost isotropic and reaches a value of ˜3 ×104 A /cm2 at 2 K (self-field) for both H ∥c and a b . The normalized magnetic relaxation rate S (=∣d ln M /d ln t ∣ ) shows a temperature-insensitive plateau behavior in the intermediate temperature range with a relatively high creep rate (S ˜ 0.02 under zero field), which is interpreted in the framework of the collective creep theory. A crossover from the elastic to plastic creep is observed, while the fishtail effect is absent for both H ∥c and a b . Based on this observation, the origin of the fishtail effect is also discussed. Combining the results of Jc and S , the vortex motion in the FeSe single crystal is found to be dominated by sparse, strong pointlike pinning from nanometer-sized defects or imperfections. The weak collective pinning is also observed and proved in the form of large bundles. Besides, the vortex phase diagram of FeSe is also constructed and discussed.

  8. Anisotropic surface chemistry properties and adsorption behavior of silicate mineral crystals.

    Science.gov (United States)

    Xu, Longhua; Tian, Jia; Wu, Houqin; Fang, Shuai; Lu, Zhongyuan; Ma, Caifeng; Sun, Wei; Hu, Yuehua

    2018-03-07

    Anisotropic surface properties of minerals play an important role in a variety of fields. With a focus on the two most intensively investigated silicate minerals (i.e., phyllosilicate minerals and pegmatite aluminosilicate minerals), this review highlights the research on their anisotropic surface properties based on their crystal structures. Four surface features comprise the anisotropic surface chemistry of minerals: broken bonds, energy, wettability, and charge. Analysis of surface broken bond and energy anisotropy helps to explain the cleavage and growth properties of mineral crystals, and understanding surface wettability and charge anisotropy is critical to the analysis of minerals' solution behavior, such as their flotation performance and rheological properties. In a specific reaction, the anisotropic surface properties of minerals are reflected in the adsorption strengths of reagents on different mineral surfaces. Combined with the knowledge of mineral crushing and grinding, a thorough understanding of the anisotropic surface chemistry properties and the anisotropic adsorption behavior of minerals will lead to the development of effective relational models comprising their crystal structure, surface chemistry properties, and targeted reagent adsorption. Overall, such a comprehensive approach is expected to firmly establish the connection between selective cleavage of mineral crystals for desired surfaces and designing novel reagents selectively adsorbed on the mineral surfaces. As tools to characterize the anisotropic surface chemistry properties of minerals, DLVO theory, atomic force microscopy (AFM), and molecular dynamics (MD) simulations are also reviewed. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Relationship of electro-physical properties, thermal phase transition and microstructure of organic semiconducting crystals

    International Nuclear Information System (INIS)

    Gul, R.M.; Tahir, M.M.; Karomov, Kh.S.; Akhmedov, Kh.M.

    1999-01-01

    Organic crystals of Ph/sub 3/MeP(TCNQ) (Triphenyl-methyl-phosphonium tetracyano quino dimethane) and Et/sub 3/A (TCNQ) (Triethyl ammonium tetracyano quino dimethane) exhibit high tensity resistive effect which make them useful for applications like strain gauges, temperature sensitive resistors, etc. previous investigations of the effect of temperature on the electrical conductivity, thermoelectric power and acoustic emission in the range of 300-360 deg. K show the Ph/sub 3/MeP(TCNQ) crystals dispaly reversible phase transitions at 313 and 317 deg. K during heating the cooling, respectively. Contrary to this the crystals of Et/sub 3/A(TCNQ) and the press tablets of Ph/sub 3/MeP(TCNQ) do not display any such transition. Using Differential Scanning Calorimetry (DSC) in this study, we have confirmed that a reversible thermal transition also takes place at the similar temperature in Ph/sub 3/MeP(TCNQ); the transition is absent in Et/sub 3/A(TCNQ) and in press tablets of Ph/sub 3/MeP(TCNQ). Scanning electron Microscopy (SEM) shows number of structural voids in the single crystals of Ph/sub 3/Mep(TCNQ) which indicates that the phase transition is a volumetric phenomenon; the voids in the crystal may allow the volumetric changes. However, absence of surface defects as observed by SEM in Et/sub 3/A(TCNQ) and in pressed Ph/sub 3/MeP(TCNQ) may hinder the change in the volume of the material due to close packing of molecules. This result in the absence of the phase transitions as ascertained by DSC and other previous electro physical studies. (author)

  10. Far-field and Fresnel Liquid Crystal Geometric Phase Holograms via Direct-Write Photo-Alignment

    Directory of Open Access Journals (Sweden)

    Xiao Xiang

    2017-12-01

    Full Text Available We study computer-generated geometric-phase holograms (GPHs realized by photo-aligned liquid crystals, in both simulation and experiment. We demonstrate both far-field and Fresnel holograms capable of producing far-field and near-field images with preserved fidelity for all wavelengths. The GPHs are fabricated by patterning a photo-alignment layer (PAL using a direct-write laser scanner and coating the surface with a polymerizable liquid crystal (i.e., a reactive mesogen. We study various recording pixel sizes, down to 3 μm, that are easily recorded in the PAL. We characterize the fabricated elements and find good agreement with theory and numerical simulation. Because of the wavelength independent geometric phase, the (phase fidelity of the replay images is preserved for all wavelengths, unlike conventional dynamic phase holograms. However, governed by the diffraction equation, the size and location of a reconstructed image depends on the replay wavelength for far-field and near-field GPHs, respectively. These offer interesting opportunities for white-light holography.

  11. Anisotropy of Single-Crystal Silicon in Nanometric Cutting.

    Science.gov (United States)

    Wang, Zhiguo; Chen, Jiaxuan; Wang, Guilian; Bai, Qingshun; Liang, Yingchun

    2017-12-01

    The anisotropy exhibited by single-crystal silicon in nanometric cutting is very significant. In order to profoundly understand the effect of crystal anisotropy on cutting behaviors, a large-scale molecular dynamics model was conducted to simulate the nanometric cutting of single-crystal silicon in the (100)[0-10], (100)[0-1-1], (110)[-110], (110)[00-1], (111)[-101], and (111)[-12-1] crystal directions in this study. The simulation results show the variations of different degrees in chip, subsurface damage, cutting force, and friction coefficient with changes in crystal plane and crystal direction. Shear deformation is the formation mechanism of subsurface damage, and the direction and complexity it forms are the primary causes that result in the anisotropy of subsurface damage. Structurally, chips could be classified into completely amorphous ones and incompletely amorphous ones containing a few crystallites. The formation mechanism of the former is high-pressure phase transformation, while the latter is obtained under the combined action of high-pressure phase transformation and cleavage. Based on an analysis of the material removal mode, it can be found that compared with the other crystal direction on the same crystal plane, the (100)[0-10], (110)[-110], and (111)[-101] directions are more suitable for ductile cutting.

  12. Role of Precursor-Conversion Chemistry in the Crystal-Phase Control of Catalytically Grown Colloidal Semiconductor Quantum Wires.

    Science.gov (United States)

    Wang, Fudong; Buhro, William E

    2017-12-26

    Crystal-phase control is one of the most challenging problems in nanowire growth. We demonstrate that, in the solution-phase catalyzed growth of colloidal cadmium telluride (CdTe) quantum wires (QWs), the crystal phase can be controlled by manipulating the reaction chemistry of the Cd precursors and tri-n-octylphosphine telluride (TOPTe) to favor the production of either a CdTe solute or Te, which consequently determines the composition and (liquid or solid) state of the Bi x Cd y Te z catalyst nanoparticles. Growth of single-phase (e.g., wurtzite) QWs is achieved only from solid catalysts (y ≪ z) that enable the solution-solid-solid growth of the QWs, whereas the liquid catalysts (y ≈ z) fulfill the solution-liquid-solid growth of the polytypic QWs. Factors that affect the precursor-conversion chemistry are systematically accounted for, which are correlated with a kinetic study of the composition and state of the catalyst nanoparticles to understand the mechanism. This work reveals the role of the precursor-reaction chemistry in the crystal-phase control of catalytically grown colloidal QWs, opening the possibility of growing phase-pure QWs of other compositions.

  13. Transient phases during fast crystallization of organic thin films from solution

    Science.gov (United States)

    Wan, Jing; Li, Yang; Ulbrandt, Jeffrey G.; Smilgies, Detlef-M.; Hollin, Jonathan; Whalley, Adam C.; Headrick, Randall L.

    2016-01-01

    We report an in situ microbeam grazing incidence X-ray scattering study of 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT) organic semiconductor thin film deposition by hollow pen writing. Multiple transient phases are observed during the crystallization for substrate temperatures up to ≈93 °C. The layered smectic liquid-crystalline phase of C8-BTBT initially forms and preceedes inter-layer ordering, followed by a transient crystalline phase for temperature >60 °C, and ultimately the stable phase. Based on these results, we demonstrate a method to produce extremely large grain size and high carrier mobility during high-speed processing. For high writing speed (25 mm/s), mobility up to 3.0 cm2/V-s has been observed.

  14. Light phase testing of social behaviors: not a problem

    Directory of Open Access Journals (Sweden)

    Mu Yang

    2008-12-01

    Full Text Available The rich repertoire of mouse social behaviors makes it possible to use mouse models to study neurodevelopmental disorders characterized by social deficits. The fact that mice are naturally nocturnal animals raises a critical question of whether behavioral experiments should be strictly conducted in the dark phase and whether light phase testing is a major methodologically mistake. Although mouse social tasks have been performed in both phases in different laboratories, there seems to be no general consensus on whether testing phase is a critical factor or not. A recent study from our group showed remarkably similar social scores obtained from inbred mice tested in the light and the dark phase, providing evidence that light phase testing could yield reliable results as robust as dark phase testing for the sociability test. Here we offer a comprehensive review on mouse social behaviors measured in light and dark phases and explain why it is reasonable to test laboratory mice in experimental social tasks in the light phase.

  15. Key Developments in Ionic Liquid Crystals.

    Science.gov (United States)

    Alvarez Fernandez, Alexandra; Kouwer, Paul H J

    2016-05-16

    Ionic liquid crystals are materials that combine the classes of liquid crystals and ionic liquids. The first one is based on the multi-billion-dollar flat panel display industry, whilst the latter quickly developed in the past decades into a family of highly-tunable non-volatile solvents. The combination yields materials with a unique set of properties, but also with many challenges ahead. In this review, we provide an overview of the key concepts in ionic liquid crystals, particularly from a molecular perspective. What are the important molecular parameters that determine the phase behavior? How should they be introduced into the molecules? Finally, which other tools does one have to realize specific properties in the material?

  16. Key Developments in Ionic Liquid Crystals

    Directory of Open Access Journals (Sweden)

    Alexandra Alvarez Fernandez

    2016-05-01

    Full Text Available Ionic liquid crystals are materials that combine the classes of liquid crystals and ionic liquids. The first one is based on the multi-billion-dollar flat panel display industry, whilst the latter quickly developed in the past decades into a family of highly-tunable non-volatile solvents. The combination yields materials with a unique set of properties, but also with many challenges ahead. In this review, we provide an overview of the key concepts in ionic liquid crystals, particularly from a molecular perspective. What are the important molecular parameters that determine the phase behavior? How should they be introduced into the molecules? Finally, which other tools does one have to realize specific properties in the material?

  17. Phase change behaviors of Zn-doped Ge2Sb2Te5 films

    International Nuclear Information System (INIS)

    Wang Guoxiang; Nie Qiuhua; Shen Xiang; Fu Jing; Xu Tiefeng; Dai Shixun; Wang, R. P.; Wu Liangcai

    2012-01-01

    Zn-doped Ge 2 Sb 2 Te 5 phase-change materials have been investigated for phase change memory applications. Zn 15.16 (Ge 2 Sb 2 Te 5 ) 84.84 phase change film exhibits a higher crystallization temperature (∼258 °C), wider band gap (∼0.78 eV), better data retention of 10 years at 167.5 °C, higher crystalline resistance, and faster crystallization speed compared with the conventional Ge 2 Sb 2 Te 5 . The proper Zn atom added into Ge 2 Sb 2 Te 5 serves as a center for suppression of the face-centered-cubic (fcc) phase to hexagonal close-packed (hcp) phase transition, and fcc phase has high thermal stability partially due to the bond recombination among Zn, Sb, and Te atoms.

  18. Phase contrast image segmentation using a Laue analyser crystal

    International Nuclear Information System (INIS)

    Kitchen, Marcus J; Paganin, David M; Lewis, Robert A; Pavlov, Konstantin M; Uesugi, Kentaro; Allison, Beth J; Hooper, Stuart B

    2011-01-01

    Dual-energy x-ray imaging is a powerful tool enabling two-component samples to be separated into their constituent objects from two-dimensional images. Phase contrast x-ray imaging can render the boundaries between media of differing refractive indices visible, despite them having similar attenuation properties; this is important for imaging biological soft tissues. We have used a Laue analyser crystal and a monochromatic x-ray source to combine the benefits of both techniques. The Laue analyser creates two distinct phase contrast images that can be simultaneously acquired on a high-resolution detector. These images can be combined to separate the effects of x-ray phase, absorption and scattering and, using the known complex refractive indices of the sample, to quantitatively segment its component materials. We have successfully validated this phase contrast image segmentation (PCIS) using a two-component phantom, containing an iodinated contrast agent, and have also separated the lungs and ribcage in images of a mouse thorax. Simultaneous image acquisition has enabled us to perform functional segmentation of the mouse thorax throughout the respiratory cycle during mechanical ventilation.

  19. Global mean-field phase diagram of the spin-1 Ising ferromagnet in a random crystal field

    Science.gov (United States)

    Borelli, M. E. S.; Carneiro, C. E. I.

    1996-02-01

    We study the phase diagram of the mean-field spin-1 Ising ferromagnet in a uniform magnetic field H and a random crystal field Δi, with probability distribution P( Δi) = pδ( Δi - Δ) + (1 - p) δ( Δi). We analyse the effects of randomness on the first-order surfaces of the Δ- T- H phase diagram for different values of the concentration p and show how these surfaces are affected by the dilution of the crystal field.

  20. Co-crystallization phase transformations in all π-conjugated block copolymers with different main-chain moieties.

    Science.gov (United States)

    Lee, Yi-Huan; Chen, Wei-Chih; Yang, Yi-Lung; Chiang, Chi-Ju; Yokozawa, Tsutomu; Dai, Chi-An

    2014-05-21

    Driven by molecular affinity and balance in the crystallization kinetics, the ability to co-crystallize dissimilar yet self-crystallizable blocks of a block copolymer (BCP) into a uniform domain may strongly affect its phase diagram. In this study, we synthesize a new series of crystalline and monodisperse all-π-conjugated poly(2,5-dihexyloxy-p-phenylene)-b-poly(3-(2-ethylhexyl)thiophene) (PPP-P3EHT) BCPs and investigate this multi-crystallization effect. Despite vastly different side-chain and main-chain structures, PPP and P3EHT blocks are able to co-crystallize into a single uniform domain comprising PPP and P3EHT main-chains with mutually interdigitated side-chains spaced in-between. With increasing P3EHT fraction, PPP-P3EHTs undergo sequential phase transitions and form hierarchical superstructures including predominately PPP nanofibrils, co-crystalline nanofibrils, a bilayer co-crystalline/pure P3EHT lamellar structure, a microphase-separated bilayer PPP-P3EHT lamellar structure, and finally P3EHT nanofibrils. In particular, the presence of the new co-crystalline lamellar structure is the manifestation of the interaction balance between self-crystallization and co-crystallization of the dissimilar polymers on the resulting nanostructure of the BCP. The current study demonstrates the co-crystallization nature of all-conjugated BCPs with different main-chain moieties and may provide new guidelines for the organization of π-conjugated BCPs for future optoelectronic applications.

  1. Ternary systems Sr-{Ni,Cu}-Si: Phase equilibria and crystal structure of ternary phases

    International Nuclear Information System (INIS)

    Nasir, Navida; Melnychenko-Koblyuk, Nataliya; Grytsiv, Andriy; Rogl, Peter; Giester, Gerald; Wosik, Jaroslaw; Nauer, Gerhard E.

    2010-01-01

    Phase relations were established in the Sr-poor part of the ternary systems Sr-Ni-Si (900 deg. C) and Sr-Cu-Si (800 deg. C) by light optical microscopy, electron probe microanalysis and X-ray diffraction on as cast and annealed alloys. Two new ternary compounds SrNiSi 3 (BaNiSn 3 -type) and SrNi 9-x Si 4+x (own-type) were found in the Sr-Ni-Si system along with previously reported Sr(Ni x Si 1-x ) 2 (AlB 2 -type). The crystal structure of SrNi 9-x Si 4+x (own-type, x=2.7, a=0.78998(3), c=1.1337(2) nm; space group P4/nbm) was determined from X-ray single crystal counter to be a low symmetry derivative of the cubic, parent NaZn 13 -type. At higher Si-content X-ray Rietveld refinements reveal the formation of a vacant site (□) corresponding to a formula SrNi 5.5 Si 6.5 □ 1.0 . Phase equilibria in the Sr-Cu-Si system are characterized by the compounds SrCu 2-x Si 2+x (ThCr 2 Si 2 -type), Sr(Cu x Si 1-x ) 2 (AlB 2 -type), SrCu 9-x Si 4+x (0≤x≤1.0; CeNi 8.5 Si 4.5 -type) and SrCu 13-x Si x (4≤x≤1.8; NaZn 13 -type). The latter two structure types appear within a continuous solid solution. Neither a type-I nor a type-IX clathrate compound was encountered in the Sr-{Cu,Ni}-Si systems. Structural details are furthermore given for about 14 new ternary compounds from related alloy systems with Ba. - Graphical abstract: The crystal structure of SrNi 9-x Si 4+x (own-type, x=2.7, a=0.78998(3), c=1.1337(2) nm; space group P4/nbm) was determined from X-ray single crystal counter to be a low symmetry derivative of the cubic, parent NaZn 13 -type and is related to CeNi 8.5 Si 4.5 -type.

  2. Formation of tilted smectic-C liquid crystal phase in polar Gay-Berne molecules

    International Nuclear Information System (INIS)

    Saha, J.; Bose, T.R.; Ghosh, D.; Saha, M.

    2005-01-01

    We perform molecular dynamics simulation for a system of Gay-Berne molecules having two terminal dipole moments to generate tilted smectic-C liquid crystal phase. We investigate the effect of dipolar orientation with respect to the long molecular axis on phase behaviour. The study indicates that larger dipolar angle can give rise to greater tilt in molecular organization within a layer

  3. An energy-stable convex splitting for the phase-field crystal equation

    KAUST Repository

    Vignal, P.; Dalcin, L.; Brown, D. L.; Collier, N.; Calo, V. M.

    2015-01-01

    Abstract The phase-field crystal equation, a parabolic, sixth-order and nonlinear partial differential equation, has generated considerable interest as a possible solution to problems arising in molecular dynamics. Nonetheless, solving this equation is not a trivial task, as energy dissipation and mass conservation need to be verified for the numerical solution to be valid. This work addresses these issues, and proposes a novel algorithm that guarantees mass conservation, unconditional energy stability and second-order accuracy in time. Numerical results validating our proofs are presented, and two and three dimensional simulations involving crystal growth are shown, highlighting the robustness of the method. © 2015 Elsevier Ltd.

  4. An energy-stable convex splitting for the phase-field crystal equation

    KAUST Repository

    Vignal, P.

    2015-10-01

    Abstract The phase-field crystal equation, a parabolic, sixth-order and nonlinear partial differential equation, has generated considerable interest as a possible solution to problems arising in molecular dynamics. Nonetheless, solving this equation is not a trivial task, as energy dissipation and mass conservation need to be verified for the numerical solution to be valid. This work addresses these issues, and proposes a novel algorithm that guarantees mass conservation, unconditional energy stability and second-order accuracy in time. Numerical results validating our proofs are presented, and two and three dimensional simulations involving crystal growth are shown, highlighting the robustness of the method. © 2015 Elsevier Ltd.

  5. Escherichia coli MltA : MAD phasing and refinement of a tetartohedrally twinned protein crystal structure (vol D61, pg 613, 2005)

    NARCIS (Netherlands)

    Barends, Thomas R.M.; Jong, René M. de; Straaten, Karin E. van; Thunnissen, Andy-Mark W.H.; Dijkstra, Bauke W.

    Crystals were grown of a mutant form of the bacterial cell-wall maintenance protein MltA that diffracted to 2.15 Å resolution. When phasing with molecular replacement using the native structure failed, selenium MAD was used to obtain initial phases. However, after MAD phasing the crystals were found

  6. Studies of Phase Transformation in Molecular Crystals Using the Positron Annihilation Technique

    DEFF Research Database (Denmark)

    Eldrup, Morten Mostgaard; Lightbody, David; Sherwood, John N.

    1980-01-01

    An examination has been made of the brittle/plastic phase transformation in the molecular crystals cyclohexane, DL-camphene and succinonitrile using the positron annihilation technique. In each material, the transition is characterized by a distinct increase in ortho-positronium lifetime. The inf...

  7. Shear effects on crystallization behaviors and structure transitions of isotactic poly-1-butene

    DEFF Research Database (Denmark)

    Li, Jingqing; Guan, Peipei; Zhang, Yao

    2014-01-01

    Different melt pre-shear conditions were applied to isotactic poly-1-butene (iP-1-B) and the effect on the crystallization behaviors and the crystalline structure transitions of iP-1-B were investigated. The polarized optical microscope observations during isothermal crystallization process...... revealed that the applied melt pre-shear within the experimental range could enhance the nucleation of crystal II and accelerate the diameter growth of the formed spherulites. If the applied melt pre-shear rate was large enough, Shish-Kebabs structure could be formed. After the isothermal crystallization...... was formed in the melt pre-sheared iP-1-B samples. Further investigations were applied with synchrotron radiation instruments. Wide angle X-ray scattering (WAXS) and small angle X-ray scattering (SAXS) after the crystal transition showed that the applied melt pre-shear could result in orientated fine...

  8. Dynamic Diffraction Studies on the Crystallization, Phase Transformation, and Activation Energies in Anodized Titania Nanotubes

    OpenAIRE

    Hani Albetran; Victor Vega; Victor M. Prida; It-Meng Low

    2018-01-01

    The influence of calcination time on the phase transformation and crystallization kinetics of anodized titania nanotube arrays was studied using in-situ isothermal and non-isothermal synchrotron radiation diffraction from room temperature to 900 °C. Anatase first crystallized at 400 °C, while rutile crystallized at 550 °C. Isothermal heating of the anodized titania nanotubes by an increase in the calcination time at 400, 450, 500, 550, 600, and 650 °C resulted in a slight reduction in anatase...

  9. Non-linear thermal evolution of the crystal structure and phase transitions of LaFeO3 investigated by high temperature X-ray diffraction

    International Nuclear Information System (INIS)

    Selbach, Sverre M.; Tolchard, Julian R.; Fossdal, Anita; Grande, Tor

    2012-01-01

    The crystal structure, anisotropic thermal expansion and structural phase transition of the perovskite LaFeO 3 has been studied by high-temperature X-ray diffraction from room temperature to 1533 K. The structural evolution of the orthorhombic phase with space group Pbnm and the rhombohedral phase with R3 ¯ c structure of LaFeO 3 is reported in terms of lattice parameters, thermal expansion coefficients, atomic positions, octahedral rotations and polyhedral volumes. Non-linear lattice expansion across the antiferromagnetic to paramagnetic transition of LaFeO 3 at T N =735 K was compared to the corresponding behavior of the ferroelectric antiferromagnet BiFeO 3 to gain insight to the magnetoelectric coupling in BiFeO 3 , which is also multiferroic. The first order phase transition of LaFeO 3 from Pbnm to R3 ¯ c was observed at 1228±9 K, and a subsequent transition to Pm3 ¯ m was extrapolated to occur at 2140±30 K. The stability of the Pbnm and R3 ¯ c polymorphs of LaFeO 3 is discussed in terms of the competing enthalpy and entropy of the two crystal polymorphs and the thermal evolution of the polyhedral volume ratio V A /V B . - Graphical abstract: Aniostropic thermal evolution of the lattice parameters and phase transition of LaFeO 3 . Highlights: ► The crystal structure of LaFeO 3 is studied by HTXRD from RT to 1533 K. ► A non-linear expansion across the Néel temperature is observed for LaFeO 3 . ► The ratio V A /V B is used to rationalize the thermal evolution of the structure.

  10. Unit-cell design for two-dimensional phase-field simulation of microstructure evolution in single-crystal Ni-based superalloys during solidification

    Directory of Open Access Journals (Sweden)

    Dongjia Cao

    2017-12-01

    Full Text Available Phase-field simulation serves as an effective tool for quantitative characterization of microstructure evolution in single-crystal Ni-based superalloys during solidification nowadays. The classic unit cell is either limited to γ dendrites along crystal orientation or too ideal to cover complex morphologies for γ dendrites. An attempt to design the unit cell for two-dimensional (2-D phase-field simulations of microstructure evolution in single-crystal Ni-based superalloys during solidification was thus performed by using the MICRESS (MICRostructure Evolution Simulation Software in the framework of the multi-phase-field (MPF model, and demonstrated in a commercial TMS-113 superalloy. The coupling to CALPHAD (CALculation of PHAse Diagram thermodynamic database was realized via the TQ interface and the experimental diffusion coefficients were utilized in the simulation. Firstly, the classic unit cell with a single γ dendrite along crystal orientation was employed for the phase-field simulation in order to reproduce the microstructure features. Then, such simple unit cell was extended into the cases with two other different crystal orientations, i.e., and . Thirdly, for crystal orientations, the effect of γ dendritic orientations and unit cell sizes on microstructure and microsegregation was comprehensively studied, from which a new unit cell with multiple γ dendrites was proposed. The phase-field simulation with the newly proposed unit cell was further performed in the TMS-113 superalloy, and the microstructure features including the competitive growth of γ dendrites, microsegregation of different solutes and distribution of γ′ grains, can be nicely reproduced.

  11. Photoluminescence Polarization Anisotropy in a Single Heterostructured III-V Nanowire with Mixed Crystal Phases

    International Nuclear Information System (INIS)

    Moses, A. F.; Hoang, T. B.; Ahtapodov, L.; Dheeraj, D. L.; Fimland, B. O.; Weman, H.; Helvoort, A. T. J. van

    2011-01-01

    Low temperature (10 K) micro-photoluminescence (μ-PL) of single GaAs/AlGaAs core-shell nanowires with single GaAsSb inserts were measured. The PL emission from the zinc blende GaAsSb insert is strongly polarized along the nanowire axis while the PL emission from the wurtzite GaAs nanowire is perpendiculary polarized to the nanowire axis. The result indicates that the crystal phase, through the optical selection rules, has significant effect on the polarization of the PL from NWs besides the dielectric mismatch. The analysis of the PL results based on the electronic structure of these nanowires supports the correlation between the crystal phase and the PL emission.

  12. Transient phases during fast crystallization of organic thin films from solution

    Directory of Open Access Journals (Sweden)

    Jing Wan

    2016-01-01

    Full Text Available We report an in situ microbeam grazing incidence X-ray scattering study of 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT organic semiconductor thin film deposition by hollow pen writing. Multiple transient phases are observed during the crystallization for substrate temperatures up to ≈93 °C. The layered smectic liquid-crystalline phase of C8-BTBT initially forms and preceedes inter-layer ordering, followed by a transient crystalline phase for temperature >60 °C, and ultimately the stable phase. Based on these results, we demonstrate a method to produce extremely large grain size and high carrier mobility during high-speed processing. For high writing speed (25 mm/s, mobility up to 3.0 cm2/V-s has been observed.

  13. Sliding three-phase contact line of printed droplets for single-crystal arrays

    International Nuclear Information System (INIS)

    Kuang, Minxuan; Wu, Lei; Li, Yifan; Gao, Meng; Zhang, Xingye; Jiang, Lei; Song, Yanlin

    2016-01-01

    Controlling the behaviours of printed droplets is an essential requirement for inkjet printing of delicate three-dimensional (3D) structures or high-resolution patterns. In this work, molecular deposition and crystallization are regulated by manipulating the three-phase contact line (TCL) behaviour of the printed droplets. The results show that oriented single-crystal arrays are fabricated based on the continuously sliding TCL. Owing to the sliding of the TCL on the substrate, the outward capillary flow within the evaporating droplet is suppressed and the molecules are brought to the centre of the droplet, resulting in the formation of a single crystal. This work provides a facile strategy for controlling the structures of printed units by manipulating the TCL of printed droplets, which is significant for realizing high-resolution patterns and delicate 3D structures. (paper)

  14. X-ray and neutron single-crystal diffraction on [Rbx(NH4)1-x]3H(SO4)2. I. Refinement of crystal structure of phase II with x=0.11 at 300 K

    International Nuclear Information System (INIS)

    Loose, A.; Wozniak, K.; Dominiak, P.; Smirnov, L.S.; Natkaniec, I.; Frontas'eva, M.V.; Pomyakushina, E.V.; Baranov, A.I.; Dolbinina, V.V

    2006-01-01

    The study of [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystals by X-ray single-crystal diffraction is known up to now only for x=0.57 at the temperatures 293 and 180 K. The crystal structures at these temperatures as was determined [1] belong to monoclinic phase II (C2/c sp. gr., Z=4). In accordance with this work, ammonium ions should be considered as deformed tetrahedra. Monoclinic phase II on the x-T phase diagram of [Rb x (NH 4 ) 1-x ] 3 H(SO 4 ) 2 mixed crystals, which has earlier been determined by the dielectric spectroscopy, is stabilized below room temperature if Rb concentration exceeds 9%. The presented results of X-ray and neutron single-crystal diffraction of the [Rb 0.11 (NH 4 ) 0.89 ] 3 H(SO 4 ) 2 mixed crystal at T= 300 K show that ammonium ions could be considered as regular tetrahedra

  15. Dimension changing phase transitions in instanton crystals

    International Nuclear Information System (INIS)

    Kaplunovsky, Vadim; Sonnenschein, Jacob

    2014-01-01

    We investigate lattices of instantons and the dimension-changing transitions between them. Our ultimate goal is the 3D→4D transition, which is holographically dual to the phase transition between the baryonic and the quarkyonic phases of cold nuclear matter. However, in this paper (just as in http://dx.doi.org/10.1007/JHEP11(2012)047) we focus on lower dimensions — the 1D lattice of instantons in a harmonic potential V∝M 2 2 x 2 2 +M 3 2 x 2 2 +M 4 2 x 4 2 , and the zigzag-shaped lattice as a first stage of the 1D→2D transition. We prove that in the low- and moderate-density regimes, interactions between the instantons are dominated by two-body forces. This drastically simplifies finding the ground state of the instantons’ orientations, so we made a numeric scan of the whole orientation space instead of assuming any particular ansatz. We find that depending on the M 2 /M 3 /M 4 ratios, the ground state of instanton orientations can follow a wide variety of patterns. For the straight 1D lattices, we found orientations periodically running over elements of a ℤ 2 , Klein, prismatic, or dihedral subgroup of the SU(2)/ℤ 2 , as well as irrational but link-periodic patterns. For the zigzag-shaped lattices, we detected 4 distinct orientation phases — the anti-ferromagnet, another abelian phase, and two non-abelian phases. Allowing the zigzag amplitude to vary as a function of increasing compression force, we obtained the phase diagrams for the straight and zigzag-shaped lattices in the (force,M 3 /M 4 ), (chemical potential,M 3 /M 4 ), and (density,M 3 /M 4 ) planes. Some of the transitions between these phases are second-order while others are first-order. Our techniques can be applied to other types of non-abelian crystals

  16. Relationships between the morphology and thermoresponsive behavior in micro/nanostructured thermosetting matrixes containing a 4'-(hexyloxy)-4-biphenylcarbonitrile liquid crystal.

    Science.gov (United States)

    Tercjak, Agnieszka; Mondragon, Iñaki

    2008-10-07

    Meso/nanostructured thermoresponsive thermosetting materials based on an epoxy resin modified with two different molecular weight amphiphilic poly(styrene- block-ethylene oxide) block copolymers (PSEO) and a low molecular weight liquid crystal, 4'-(hexyloxy)-4-biphenylcarbonitrile (HOBC), were investigated. A strong influence of the addition of PSEO on the morphology generated in HOBC--(diglicydyl ether of bisphenol A epoxy resin/ m-xylylenediamine) was detected, especially in the case of the addition of PSEO block copolymers with a higher PEO-block content and a lower molecular weight. The morphologies generated in the ternary systems also influenced the thermoresponsive behavior of the HOBC separated phase provoked by applying an external field, such as a temperature gradient and an electrical field. Thermal analysis of the investigated materials allowed for a better understanding of the relationships between generated morphology/thermo-optical properties/PSEO:HOBC ratio, and HOBC content. Controlling the relationship between the morphology and thermoresponsive behavior in micro/nanostructured thermosetting materials based on a 4'-(hexyloxy)-4-biphenylcarbonitrile liquid crystal allows the development of materials which can find application in thermo- and in some cases electroresponsive devices, with a high contrast ratio between transparent and opaque states.

  17. Room temperature exchange bias in SmFeO_3 single crystal

    International Nuclear Information System (INIS)

    Wang, Xiaoxiong; Cheng, Xiangyi; Gao, Shang; Song, Junda; Ruan, Keqing; Li, Xiaoguang

    2016-01-01

    Exchange bias phenomenon is generally ascribed to the unidirectional magnetic shift along the field axes at interface of two magnetic materials. Room temperature exchange bias is found in SmFeO_3 single crystal. The behavior after different cooling procedure is regular, and the training behavior is attributed to the athermal training and its pinning origin is attributed to the antiferromagnetic clusters. Its being single phase and occurring at room temperature make it an appropriate candidate for application. - Graphical abstract: Room temperature exchange bias was found in oxide single crystal. Highlights: • Room temperature exchange bias has been discovered in single-crystalline SmFeO_3. • Its pinning origin is attributed to the antiferromagnetic clusters. • Its being single phase and occurring at room temperature make it an appropriate candidate for application.

  18. A 4-D dataset for validation of crystal growth in a complex three-phase material, ice cream

    Science.gov (United States)

    Rockett, P.; Karagadde, S.; Guo, E.; Bent, J.; Hazekamp, J.; Kingsley, M.; Vila-Comamala, J.; Lee, P. D.

    2015-06-01

    Four dimensional (4D, or 3D plus time) X-ray tomographic imaging of phase changes in materials is quickly becoming an accepted tool for quantifying the development of microstructures to both inform and validate models. However, most of the systems studied have been relatively simple binary compositions with only two phases. In this study we present a quantitative dataset of the phase evolution in a complex three-phase material, ice cream. The microstructure of ice cream is an important parameter in terms of sensorial perception, and therefore quantification and modelling of the evolution of the microstructure with time and temperature is key to understanding its fabrication and storage. The microstructure consists of three phases, air cells, ice crystals, and unfrozen matrix. We perform in situ synchrotron X-ray imaging of ice cream samples using in-line phase contrast tomography, housed within a purpose built cold-stage (-40 to +20oC) with finely controlled variation in specimen temperature. The size and distribution of ice crystals and air cells during programmed temperature cycling are determined using 3D quantification. The microstructural evolution of three-phase materials has many other important applications ranging from biological to structural and functional material, hence this dataset can act as a validation case for numerical investigations on faceted and non-faceted crystal growth in a range of materials.

  19. A 4-D dataset for validation of crystal growth in a complex three-phase material, ice cream

    International Nuclear Information System (INIS)

    Rockett, P; Karagadde, S; Guo, E; Kingsley, M; Lee, P D; Bent, J; Hazekamp, J; Vila-Comamala, J

    2015-01-01

    Four dimensional (4D, or 3D plus time) X-ray tomographic imaging of phase changes in materials is quickly becoming an accepted tool for quantifying the development of microstructures to both inform and validate models. However, most of the systems studied have been relatively simple binary compositions with only two phases. In this study we present a quantitative dataset of the phase evolution in a complex three-phase material, ice cream. The microstructure of ice cream is an important parameter in terms of sensorial perception, and therefore quantification and modelling of the evolution of the microstructure with time and temperature is key to understanding its fabrication and storage. The microstructure consists of three phases, air cells, ice crystals, and unfrozen matrix. We perform in situ synchrotron X-ray imaging of ice cream samples using in-line phase contrast tomography, housed within a purpose built cold-stage (-40 to +20 o C) with finely controlled variation in specimen temperature. The size and distribution of ice crystals and air cells during programmed temperature cycling are determined using 3D quantification. The microstructural evolution of three-phase materials has many other important applications ranging from biological to structural and functional material, hence this dataset can act as a validation case for numerical investigations on faceted and non-faceted crystal growth in a range of materials. (paper)

  20. The effect of crystallization pressure on macromolecular structure, phase evolution, and fracture resistance of nano-calcium carbonate-reinforced high density polyethylene

    International Nuclear Information System (INIS)

    Yuan, Q.; Yang, Y.; Chen, J.; Ramuni, V.; Misra, R.D.K.; Bertrand, K.J.

    2010-01-01

    We describe here phase evolution and structural changes that are induced when high density polyethylene (HDPE) containing dispersion of nano-calcium carbonate is isothermally crystallized in the pressure range of 0.1-100 MPa. To delineate and separate the effects of applied crystallization pressure from nanoparticle effects, a relative comparison is made between neat HDPE and HDPE containing nano-calcium carbonate under similar experimental conditions. X-ray diffraction studies point toward the evolution of monoclinic phase at high crystallization pressure together with the commonly observed orthorhombic phase of HDPE. Furthermore, the nucleation of monoclinic phase is promoted by nanoparticles even at low crystallization pressure. The equilibrium melting point is insignificantly influenced on the addition of nanoparticle, such that the crystallization pressure has no obvious effect. The strong thermodynamic interaction between nano-calcium carbonate and HDPE is supported by the shift in glass transition temperature and changes in the modification of absorption bands of HDPE in Fourier transform infrared (FTIR) spectrum. Furthermore, the reinforcement of HDPE with nano-calcium carbonate increases impact strength and alters the micromechanism from crazing-tearing in polyethylene to fibrillated fracture in polymer nanocomposite, such that the fibrillation increases with crystallization pressure.

  1. Effect of Alcohols on the Phase Behavior and Emulsification of a Sucrose Fatty Acid Ester/Water/Edible Oil System.

    Science.gov (United States)

    Matsuura, Tsutashi; Ogawa, Akihiro; Ohara, Yukari; Nishina, Shogo; Nakanishi, Maho; Gohtani, Shoichi

    2018-02-01

    The effect of alcohols (ethanol, 1-propanol, propylene glycol, glycerin, sucrose) on the phase behavior and emulsification of sucrose stearic acid ester (SSE)/water/edible vegetable oil (EVO) systems was investigated. Adding sucrose, propylene glycol, and glycerin narrowed the oil-separated two-phase region in the phase diagram of the SSE/water/EVO systems, whereas adding ethanol and 1-propanol expanded the oil-separated two-phase region. Changing the course of emulsification in the phase diagram showed that the size of the oil-droplet particle typically decreased in a system with a narrowed oil-separated region. The emulsification properties of the systems varied with respect to changes in the phase diagram. The microstructure of the systems was examined using small-angle X-ray scattering, and the ability to retain the oil in the lamellar structure of the SSEs was suggested as an important role in emulsification, because the mechanism of the systems was the same as that for the liquid crystal emulsification method.

  2. Phase formation and crystallization behavior of melt spun Sm-Fe-based alloys

    International Nuclear Information System (INIS)

    Shield, J.E.

    1999-01-01

    The phase formation and microstructures of Sm-Fe alloys have been investigated at Sm levels of 11 and 17 atomic percent and with alloying additions of Ti and C. At lower Sm content, virtually phase pure SmFe 7 formed, while higher Sm content resulted in the formation of SmFe 7 , SmFe 2 and amorphous phases. The addition of Ti and C resulted in greater stability and a larger volume fraction of the amorphous phase. The binary Sm-Fe alloys at both Sm levels had tremendously variable microstructures, with large discrepancies in grain size and phase distribution from region to region. The addition of Ti and C tended to result in a more homogeneous microstructure, as well as a refinement in the microstructural scale. (orig.)

  3. Crystallization and melting behavior of nanoclay-containing polypropylene/poly(trimethylene terephthalate blends

    Directory of Open Access Journals (Sweden)

    S. H. Jafari

    2012-02-01

    Full Text Available This contribution concerns preparation and characterization of polypropylene (PP/poly(trimethylene terephthalate (PTT melt-mixed blends in the presence of organically-modified montmorillonite nanoclays and functional compatibilizers. Immiscibility and nanocomposite formation were confirmed via transmission electron microscopy. An intercalated structure was observed by wide angle X-ray diffraction technique. Crystallization, and melting characteristics were studied by differential scanning calorimetry in both isothermal and non-isothermal modes, supplemented by temperature modulated DSC (TMDSC. A concurrent crystallization was found for both polymeric components in the blends. Whereas blending favored PP crystallizability, it interrupted that of PTT. The addition compatibilizers interfered with rate, temperature, and degree of crystallization of PP and PTT. On the contrary, nanoclays incorporation increased crystallizability of each individual component. However, as for blend nanocomposite samples, the way the crystallization behavior changed was established to depend on the type of nanoclay. Based on kinetic analysis, isothermal crystallization nucleation followed athermal mechanism, while that of non-isothermal obeyed thermal mode. Addition of nanoclays shifted nucleation mechanism from athermal to thermal mode.

  4. Dipolar phases in liquid crystals with the chiral part based on the lactic acid

    Czech Academy of Sciences Publication Activity Database

    Glogarová, Milada; Novotná, Vladimíra; Kašpar, Miroslav; Hamplová, Věra; Pociecha, D.

    2008-01-01

    Roč. 81, 11-12 (2008), 963-970 ISSN 0141-1594 R&D Projects: GA MŠk OC 175; GA AV ČR IAA100100710 Institutional research plan: CEZ:AV0Z10100520 Keywords : liquid crystals * paraelectric * ferroelectric and antiferroelectric phases * TGB phases * lactate unit Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.201, year: 2008

  5. Bi2(Sr, Ln)2CuOz (Ln = Nd, Sm) phases: stability, crystal growth and superconducting properties

    International Nuclear Information System (INIS)

    Faqir, H.; Kikuchi, M.; Syono, Y.; Mansori, M.; Satre, P.; Sebaoun, A.; Vacquier, G.

    2000-01-01

    Bi 2 (Sr,Ln) 2 CuO z (Ln = Nd, Sm) single crystals were successfully grown by a self-flux method from stoichiometric and (Bi, Cu)-rich melts. Thermal analysis and thermogravimetry were used to determine stability and the melting sequence of Bi 2 (Sr,Ln) 2 CuO z phases in air. As-grown crystals of the ideal Bi 2 (Sr,Ln) 2 CuO z phase, of dimensions 1x0.5x0.03 mm 3 , exhibit superconducting behaviour with critical temperature T c = 21 K for the Bi 1.9 Sr 1.6 Nd 0.6 CuO z crystal and Tc = 14 K for the Bi 1.8 Sr 1.6 Sm 0.6 CuO z crystal. The compositions of these crystals were homogeneous and close to the stoichiometric composition. We report on the growth of Bi 2 Sr 2-x Sm x CuO z single crystals of large dimensions 9x3x0.03 mm 3 using Bi 2 Sr 1.5 Sm 0.5 CuO z as precursor and Bi 2 CuO 4 as flux. (author)

  6. A Physical Model for Three-Phase Compaction in Silicic Magma Reservoirs

    Science.gov (United States)

    Huber, Christian; Parmigiani, Andrea

    2018-04-01

    We develop a model for phase separation in magma reservoirs containing a mixture of silicate melt, crystals, and fluids (exsolved volatiles). The interplay between the three phases controls the dynamics of phase separation and consequently the chemical and physical evolution of magma reservoirs. The model we propose is based on the two-phase damage theory approach of Bercovici et al. (2001, https://doi.org/10.1029/2000JB900430) and Bercovici and Ricard (2003, https://doi.org/10.1046/j.1365-246X.2003.01854.x) because it offers the leverage of considering interface (in the macroscopic limit) between phases that can deform depending on the mechanical work and phase changes taking place locally in the magma. Damage models also offer the advantage that pressure is defined uniquely to each phase and does not need to be equal among phases, which will enable us to consider, in future studies, the large capillary pressure at which fluids are mobilized in mature, crystal-rich, magma bodies. In this first analysis of three-phase compaction, we solve the three-phase compaction equations numerically for a simple 1-D problem where we focus on the effect of fluids on the efficiency of melt-crystal separation considering the competition between viscous and buoyancy stresses only. We contrast three sets of simulations to explore the behavior of three-phase compaction, a melt-crystal reference compaction scenario (two-phase compaction), a three-phase scenario without phase changes, and finally a three-phase scenario with a parameterized second boiling (crystallization-induced exsolution). The simulations show a dramatic difference between two-phase (melt crystals) and three-phase (melt-crystals-exsolved volatiles) compaction-driven phase separation. We find that the presence of a lighter, significantly less viscous fluid hinders melt-crystal separation.

  7. Crystallization and unusual rheological behavior in poly(ethylene oxide)–clay nanocomposites

    KAUST Repository

    Kelarakis, Antonios; Giannelis, Emmanuel P.

    2011-01-01

    We report a systematic study of the crystallization and rheological behavior of poly(ethylene oxide) (PEO)-clay nanocomposites. To that end a series of nanocomposites based on PEOs of different molecular weight (103 < MW < 105 g/mol) and clay

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

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

    Science.gov (United States)

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

    2014-01-01

    We have grown In2Se3 layered-type crystals using chemical vapor transport method with ICl3 as the transport agent. The as-grown crystals show two different color groups of black shiny for α-phase In2Se3 and red to yellow for γ-phase In2Se3. High-resolution transmission electron micro scopy verifies crystalline state and structural polytype of the as-grown In2Se3. The results indicate that the α-In2Se3 crystals present more crystalline states than those of the other amorphous γ-In2Se3. The amorphous effect on the advancing of optoelectronic property of γ-In2Se3 shows erasable optical-memorized effect in the disordered and polycrystalline γ-In2Se3 layers. Laser-induced photodarkening and annealed-recovery test verified that a reversible structural-phase transition of γ↔α can occur inside the γ-In2Se3. Thermoreflectance and Raman scattering measurements are carried out to identify the inter-phase transformation of the γ-In2Se3 polycrystals using different heat treatments. Direct band gaps and Raman vibration modes for the γ- and α-In2Se3 crystalline phases are, respectively, characterized and identified. The character of γ↔α inter-phase transition promotes feasible optical and optoelectronic applications of the γ-In2Se3 material in optical memory, optics, and solar-energy devices.

  10. High-Pressure High-Temperature Phase Diagram of the Organic Crystal Paracetamol

    Science.gov (United States)

    Smith, Spencer; Montgomery, Jeffrey; Vohra, Yogesh

    High-pressure high-temperature (HPHT) Raman spectroscopy studies have been performed on the organic crystal paracetamol in a diamond anvil cell utilizing boron-doped diamond as heating anvil. The HPHT data obtained from boron-doped diamond heater is cross-checked with data obtained using a standard block heater diamond anvil cell. Isobaric measurements were conducted at pressures up to 8.5 GPa and temperature up to 520 K in a number of different experiments. Solid state phase transitions from monoclinic Form I --> orthorhombic Form II were observed at various pressures and temperatures as well as transitions from Form II --> unknown Form IV. The melting temperature for paracetamol was observed to increase with increasing pressures to 8.5 GPa. Our previous angle dispersive x-ray diffraction studies at the Advanced Photon Source has confirmed the existence of two unknown crystal structures Form IV and Form V of paracetamol at high pressure and ambient temperature. The phase transformation from Form II to Form IV occurs at ~8.5 GPa and from Form IV to Form V occurs at ~11 GPa at ambient temperature. Our new data is combined with the previous ambient temperature high-pressure Raman and X- ray diffraction data to create the first HPHT phase diagram of paracetamol. Doe-NNSA Carnegie DOE Alliance Center (CDAC) under Grant Number DE-NA0002006.

  11. Searching for new TiO2 crystal phases with better photoactivity

    International Nuclear Information System (INIS)

    Shang, Cheng; Zhao, Wei-Na; Liu, Zhi-Pan

    2015-01-01

    Using the recently developed stochastic surface walking global optimization method, this work explores the potential energy surface of TiO 2 crystals aiming to search for likely phases with higher photocatalytic activity. Five new phases of TiO 2 are identified and the lowest energy phase transition pathways connecting to the most abundant phases (rutile and anatase) are determined. Theory shows that a high-pressure phase, α-PbO 2 -like form (TiO 2 II) acts as the key intermediate in between rutile and anatase. The phase transition of anatase to rutile belongs to the diffusionless Martensitic phase transition, occurring through a set of habit planes, rutile(101)//TiO 2 II(001), and TiO 2 II(100)//anatase(112). With regard to the photocatalytic activity, three pure phases (#110, pyrite and fluorite) are found to possess the band gap narrower than rutile, but they are unstable at the low-pressure condition. Instead, a mixed anatase-TiO 2 II phase is found to have good stability and narrower band gap than both parent phases. Because of the phase separation, the mixed phase is also expected to improve the photocatalytic performance by reducing the probability of the electron-hole pair recombination. (paper)

  12. The finite-size effect in thin liquid crystal systems

    Science.gov (United States)

    Śliwa, I.

    2018-05-01

    Effects of surface ordering in liquid crystal systems confined between cell plates are of great theoretical and experimental interest. Liquid crystals introduced in thin cells are known to be strongly stabilized and ordered by cell plates. We introduce a new theoretical method for analyzing the effect of surfaces on local molecular ordering in thin liquid crystal systems with planar geometry of the smectic layers. Our results show that, due to the interplay between pair long-range intermolecular forces and nonlocal, relatively short-range, surface interactions, both orientational and translational orders of liquid crystal molecules across confining cells are very complex. In particular, it is demonstrated that the SmA, nematic, and isotropic phases can coexist. The phase transitions from SmA to nematic, as well as from nematic to isotropic phases, occur not simultaneously in the whole volume of the system but begin to appear locally in some regions of the LC sample. Phase transition temperatures are demonstrated to be strongly affected by the thickness of the LC system. The dependence of the corresponding shifts of phase transition temperatures on the layer number is shown to exhibit a power law character. This new type of scaling behavior is concerned with the coexistence of local phases in finite systems. The influence of a specific character of interactions of molecules with surfaces and other molecules on values of the resulting critical exponents is also analyzed.

  13. Coupled Interfacial Tension and Phase Behavior Model Based on Micellar Curvatures

    KAUST Repository

    Torrealba, V. A.

    2017-11-08

    This article introduces a consistent and robust model that predicts interfacial tensions for all microemulsion Winsor types and overall compositions. The model incorporates film bending arguments and Huh\\'s equation and is coupled to phase behavior so that simultaneous tuning of both interfacial tension (IFT) and phase behavior is possible. The oil-water interfacial tension and characteristic length are shown to be related to each other through the hydrophilic-lipophilic deviation (HLD). The phase behavior is tied to the micelle curvatures, without the need for using the net average curvature (NAC). The interfacial tension model is related to solubilization ratios in order to introduce a coupled interfacial tension-phase behavior model for all phase environments. The approach predicts two- and three-phase interfacial tensions and phase behavior (i.e., tie lines and tie triangles) for changes in composition and HLD input parameters, such as temperature, pressure, surfactant structure, and oil equivalent alkane carbon number. Comparisons to experimental data show excellent fits and predictive capability.

  14. Vanadium doped Sb2Te3 material with modified crystallization mechanism for phase-change memory application

    International Nuclear Information System (INIS)

    Ji, Xinglong; Zheng, Yonghui; Zhou, Wangyang; Wu, Liangcai; Cao, Liangliang; Zhu, Min; Rao, Feng; Song, Zhitang; Feng, Songlin

    2015-01-01

    In this paper, V 0.21 Sb 2 Te 3 (VST) has been proposed for phase-change memory applications. With vanadium incorporating, VST has better thermal stability than Sb 2 Te 3 and can maintain in amorphous phase at room temperature. Two resistance steps were observed in temperature dependent resistance measurements. By real-time observing the temperature dependent lattice structure evolution, VST presents as a homogenous phase throughout the whole thermal process. Combining Hall measurement and transmission electron microscopy results, we can ascribe the two resistance steps to the unique crystallization mechanism of VST material. Then, the amorphous thermal stability enhancement can also be rooted in the suppression of the fast growth crystallization mechanism. Furthermore, the applicability of VST is demonstrated by resistance-voltage measurement, and the phase transition of VST can be triggered by a 15 ns electric pulse. In addition, endurance up to 2.7×10 4 cycles makes VST a promising candidate for phase-change memory applications

  15. Crystallization and deuterium permeation behaviors of yttrium oxide coating prepared by metal organic decomposition

    Directory of Open Access Journals (Sweden)

    Takumi Chikada

    2016-12-01

    Full Text Available Yttrium oxide coatings were fabricated on reduced activation ferritic/martensitic steels by metal organic decomposition with a dip-coating technique, and their deuterium permeation behaviors were investigated. The microstructure of the coatings varied with heat-treatment temperature: amorphous at 670ºC (amorphous coating and crystallized at 700ºC (crystallized coating. Deuterium permeation flux of the amorphous coating was lower than the uncoated steel by a factor of 5 at 500ºC, while that of the crystallized coating was lower by a factor of around 100 at 400‒550ºC. The permeation fluxes of both coatings were drastically decreased during the measurements at higher temperatures by a factor of up to 790 for the amorphous coating and 1000 for the crystallized one, indicating a microstructure modification occurred by an effect of test temperature with hydrogen flux. Temperature dependence of deuterium diffusivity in the coatings suggests that the decrease of the permeation flux has been derived from a decrease of the diffusivity. Characteristic permeation behaviors were observed with different annealing conditions; however, they can be interpreted using the permeation mechanism clarified in the previous erbium oxide coating studies.

  16. One-pot synthesis of CuInS2 nanocrystals using different anions to engineer their morphology and crystal phase.

    Science.gov (United States)

    Tang, Aiwei; Hu, Zunlan; Yin, Zhe; Ye, Haihang; Yang, Chunhe; Teng, Feng

    2015-05-21

    A simple one-pot colloidal method has been described to engineer ternary CuInS2 nanocrystals with different crystal phases and morphologies, in which dodecanethiol is chosen as the sulfur source and the capping ligands. By a careful choice of the anions in the metal precursors and manipulation of the reaction conditions including the reactant molar ratios and the reaction temperature, CuInS2 nanocrystals with chalcopyrite, zincblende and wurtzite phases have been successfully synthesized. The type of anion in the metal precursors has been found to be essential for determining the crystal phase and morphology of the as-obtained CuInS2 nanocrystals. In particular, the presence of Cl(-) ions plays an important role in the formation of CuInS2 nanoplates with a wurtzite-zincblende polytypism structure. In addition, the molar ratios of Cu to In precursors have a significant effect on the crystal phase and morphology, and the intermediate Cu2S-CuInS2 heteronanostructures are formed which are critical for the anisotropic growth of CuInS2 nanocrystals. Furthermore, the optical absorption results of the as-obtained CuInS2 nanocrystals exhibit a strong dependence on the crystal phase and size.

  17. Phase-field-crystal model for magnetocrystalline interactions in isotropic ferromagnetic solids

    Science.gov (United States)

    Faghihi, Niloufar; Provatas, Nikolas; Elder, K. R.; Grant, Martin; Karttunen, Mikko

    2013-09-01

    An isotropic magnetoelastic phase-field-crystal model to study the relation between morphological structure and magnetic properties of pure ferromagnetic solids is introduced. Analytic calculations in two dimensions were used to determine the phase diagram and obtain the relationship between elastic strains and magnetization. Time-dependent numerical simulations in two dimensions were used to demonstrate the effect of grain boundaries on the formation of magnetic domains. It was shown that the grain boundaries act as nucleating sites for domains of reverse magnetization. Finally, we derive a relation for coercivity versus grain misorientation in the isotropic limit.

  18. Thermotropic and Barotropic Phase Behavior of Phosphatidylcholine Bilayers

    Directory of Open Access Journals (Sweden)

    Nobutake Tamai

    2013-01-01

    Full Text Available Bilayers formed by phospholipids are frequently used as model biological membranes in various life science studies. A characteristic feature of phospholipid bilayers is to undergo a structural change called a phase transition in response to environmental changes of their surroundings. In this review, we focus our attention on phase transitions of some major phospholipids contained in biological membranes, phosphatidylcholines (PCs, depending on temperature and pressure. Bilayers of dipalmitoylphosphatidylcholine (DPPC, which is the most representative lipid in model membrane studies, will first be explained. Then, the bilayer phase behavior of various kinds of PCs with different molecular structures is revealed from the temperature–pressure phase diagrams, and the difference in phase stability among these PC bilayers is discussed in connection with the molecular structure of the PC molecules. Furthermore, the solvent effect on the phase behavior is also described briefly.

  19. Investigation of PEG crystallization in frozen PEG-sucrose-water solutions. I. Characterization of the nonequilibrium behavior during freeze-thawing.

    Science.gov (United States)

    Bhatnagar, Bakul S; Martin, Susan M; Teagarden, Dirk L; Shalaev, Evgenyi Y; Suryanarayanan, Raj

    2010-06-01

    Our objective was to characterize the nonequilibrium thermal behavior of frozen aqueous solutions containing PEG and sucrose. Aqueous solutions of (i) sucrose (10%, w/v) with different concentrations of PEG (1-20%, w/v), and (ii) PEG (10%, w/v) with different concentrations of sucrose (2-20%, w/v), were cooled to -70 degrees C at 5 degrees C/min and heated to 25 degrees C at 2 degrees C/min in a differential scanning calorimeter. Annealing was performed at temperatures ranging from -50 to -20 degrees C for 2 or 6 h. Similar experiments were also performed in the low-temperature stage of a powder X-ray diffractometer. A limited number of additional DSC experiments were performed wherein the samples were cooled to -100 degrees C. In unannealed systems with a fixed sucrose concentration (10%, w/v), the T'g decreased from -35 to -48 degrees C when PEG concentration was increased from 1% to 20% (w/v). On annealing at -25 degrees C, PEG crystallized. This was evident from the increase in T'g and the appearance of a secondary melting endotherm in the DSC. Low-temperature XRD provided direct evidence of PEG crystallization. Annealing at temperatures crystallization and a devitrification event was observed above the T'g. In unannealed systems with a fixed PEG concentration (10%, w/v), the T'g increased from -50 to -40 degrees C when sucrose concentration was increased from 5% to 50%, w/v. As the annealing time increased (at -25 degrees C), the T'g approached that of a sucrose-water system, reflecting progressive PEG crystallization. A second glass transition at approximately -65 degrees C was evident in unannealed systems [10%, w/v sucrose and 10 (or 20%), w/v PEG] cooled to -100 degrees C. Investigation of the nonequilibrium behavior of frozen PEG-sucrose-water ternary system revealed phase separation in the freeze-concentrate. Annealing facilitated PEG crystallization. (c) 2010 Wiley-Liss, Inc. and the American Pharmacists Association

  20. Crystallization kinetics of GeTe phase-change thin films grown by pulsed laser deposition

    Science.gov (United States)

    Sun, Xinxing; Thelander, Erik; Gerlach, Jürgen W.; Decker, Ulrich; Rauschenbach, Bernd

    2015-07-01

    Pulsed laser deposition was employed to the growth of GeTe thin films on Silicon substrates. X-ray diffraction measurements reveal that the critical crystallization temperature lies between 220 and 240 °C. Differential scanning calorimetry was used to investigate the crystallization kinetics of the as-deposited films, determining the activation energy to be 3.14 eV. Optical reflectivity and in situ resistance measurements exhibited a high reflectivity contrast of ~21% and 3-4 orders of magnitude drop in resistivity of the films upon crystallization. The results show that pulsed laser deposited GeTe films can be a promising candidate for phase-change applications.

  1. Crystallization kinetics of GeTe phase-change thin films grown by pulsed laser deposition

    International Nuclear Information System (INIS)

    Sun, Xinxing; Thelander, Erik; Gerlach, Jürgen W; Decker, Ulrich; Rauschenbach, Bernd

    2015-01-01

    Pulsed laser deposition was employed to the growth of GeTe thin films on Silicon substrates. X-ray diffraction measurements reveal that the critical crystallization temperature lies between 220 and 240 °C. Differential scanning calorimetry was used to investigate the crystallization kinetics of the as-deposited films, determining the activation energy to be 3.14 eV. Optical reflectivity and in situ resistance measurements exhibited a high reflectivity contrast of ∼21% and 3–4 orders of magnitude drop in resistivity of the films upon crystallization. The results show that pulsed laser deposited GeTe films can be a promising candidate for phase-change applications. (paper)

  2. Crystallization behavior of (1 - x)Li2O.xNa2O.Al2O3.4SiO2 glasses

    International Nuclear Information System (INIS)

    Wang, Moo-Chin; Cheng, Chih-Wei; Chang, Kuo-Ming; Hsi, Chi-Shiung

    2010-01-01

    The crystallization behavior of the (1 - x)Li 2 O.xNa 2 O.Al 2 O 3 .4SiO 2 glasses has been investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), electron diffraction (ED) and energy dispersive spectroscopy (EDS). The crystalline phase was composed of β-spodumene. The isothermal crystallization kinetics of β-spodumene from the (1 - x)Li 2 O.xNa 2 O.Al 2 O 3 .4SiO 2 glasses has also been studied by a quantitative X-ray diffraction method. The activation energy of β-spodumene formation decreases from 359.2 to 317.8 kJ/mol when the Na 2 O content increases from 0 to 0.4 mol and it increases from 317.8 to 376.9 kJ/mol when the Na 2 O content increases from 0.4 to 0.6 mol. The surface nucleation and plate-like growth were dominant in the crystallization of the (1 - x)Li 2 O.xNa 2 O.Al 2 O 3 .4SiO 2 glasses.

  3. Phase retrieval of diffraction from highly strained crystals

    International Nuclear Information System (INIS)

    Newton, Marcus C.; Harder, Ross; Huang Xiaojing; Xiong Gang; Robinson, Ian K.

    2010-01-01

    An important application of phase retrieval methods is to invert coherent x-ray diffraction measurements to obtain real-space images of nanoscale crystals. The phase information is currently recovered from reciprocal-space amplitude measurements by the application of iterative projective algorithms that solve the nonlinear and nonconvex optimization problem. Various algorithms have been developed each of which apply constraints in real and reciprocal space on the reconstructed object. In general, these methods rely on experimental data that is oversampled above the Nyquist frequency. To date, support-based methods have worked well, but are less successful for highly strained structures, defined as those which contain (real-space) phase information outside the range of ±π/2. As a direct result the acquired experimental data is, in general, inadvertently subsampled below the Nyquist frequency. In recent years, a new theory of 'compressive sensing' has emerged, which dictates that an appropriately subsampled (or compressed) signal can be recovered exactly through iterative reconstruction and various routes to minimizing the l 1 norm or total variation in that signal. This has proven effective in solving several classes of convex optimization problems. Here we report on a 'density-modification' phase reconstruction algorithm that applies the principles of compressive sensing to solve the nonconvex phase retrieval problem for highly strained crystalline materials. The application of a nonlinear operator in real-space minimizes the l 1 norm of the amplitude by a promotion-penalization (or 'propenal') operation that confines the density bandwidth. This was found to significantly aid in the reconstruction of highly strained nanocrystals. We show how this method is able to successfully reconstruct phase information that otherwise could not be recovered.

  4. First principles study of CaTIO3 crystal in paraelectric and ferroelectric phases

    International Nuclear Information System (INIS)

    Hashemi, H.; Kompany, A.; Hosseini, M.

    2005-01-01

    Electronic properties of CaTiO 3 crystal in paraelectric and ferroelectric phases have been studied by first principles, using Hohenberg-kohn-sham density functional theory. In paraelectric phase the results show an indirect band gap of about at 2eV at Γ-R direction in the Brillouin zone and a strong hybridization between Ti-3d an O-2P orbital. In ferroelectric phase a direct band gap of about 1 eV is seen at ***Γ point. Up to our knowledge no data has been reported on the ferroelectric phase so far, therefore our results might be useful for the future works

  5. Strain-hardening behavior and microstructure development in polycrystalline as-cast Mg-Zn-Y alloys with LPSO phase subjected to cyclic loading

    Energy Technology Data Exchange (ETDEWEB)

    Shiraishi, Kazuma [Department of Materials Science and Engineering, Kumamoto University, 2-39-1, Kurokami, Chuo-ku, Kumamoto 860-8555 (Japan); Mayama, Tsuyoshi, E-mail: mayama@kumamoto-u.ac.jp [Priority Organization for Innovation and Excellence, Kumamoto University, 2-39-1, Kurokami, Chuo-ku, Kumamoto 860-8555 (Japan); Department of Materials Science and Engineering, University of Virginia, Charlottesville, VA 22904 (United States); Yamasaki, Michiaki [School of Mechanical and Mining Engineering, The University of Queensland, St Lucia, Brisbane, Qld 4072 (Australia); Magnesium Research Center/Department of Materials Science and Engineering, Kumamoto University, 2-39-1, Kurokami, Chuo-ku, Kumamoto 860-8555 (Japan); Kawamura, Yoshihito [Magnesium Research Center/Department of Materials Science and Engineering, Kumamoto University, 2-39-1, Kurokami, Chuo-ku, Kumamoto 860-8555 (Japan)

    2016-08-30

    The strain-hardening behavior and microstructural development of polycrystalline as-cast Mg-Zn-Y alloys with various volume fractions of the long-period stacking ordered (LPSO) phase subjected to cyclic loading were experimentally evaluated. For all alloys, cyclic loading tests with a constant strain amplitude of 0.5% for up to 100 cycles showed asymmetric cyclic hardening behavior. That is, the absolute value of the compressive peak stress significantly increased during cyclic loading while the tensile peak stress slightly decreased. With increasing volume fraction of the LPSO phase, the stress amplitude significantly increased. Cyclic loading tests after compressive preloading up to 200 or 250 MPa resulted in a significant increase in the stress amplitude, while a number of kink bands developed during preloading. For the cyclic hardening behavior, the contribution of the increase in kinematic hardening was significant in the alloys with a higher volume fraction of the LPSO phase. Transmission electron microscopy observation of the cyclically deformed Mg{sub 85}Zn{sub 6}Y{sub 9} alloy indicated the formation of a deformation-induced band, where the crystal structure was transformed from 18R-LPSO to hcp-Mg with the exclusion of solute elements.

  6. Refractive indices of K2ZnCl4 crystals in an incommensurate phase under uniaxial stresses

    International Nuclear Information System (INIS)

    Gaba, V.M.; Kogut, Z.O.; Brezvin, R.S.; Stadnik, V.I.

    2010-01-01

    The influence of uniaxial mechanical stresses directed along the principal crystallophysical axes on refractiveindex temperature dependences in K 2 ZnCl 4 crystals was studied. It is established that the refractive indices ni are quite sensitive to uniaxial stresses. Significant baric shifts of the paraphase-incommensurate-commensurate phase transition points to different temperature regions were observed, which is due to the effect of the uniaxial stress on the K 2 ZnCl 4 crystal structure. It is found that applying uniaxial pressure increases the value of the temperature hysteresis of the commensurate-incommensurate phase transition. (authors)

  7. Nitrogen-doped Sb-rich Si–Sb–Te phase-change material for high-performance phase-change memory

    International Nuclear Information System (INIS)

    Zhou, Xilin; Wu, Liangcai; Song, Zhitang; Cheng, Yan; Rao, Feng; Ren, Kun; Song, Sannian; Liu, Bo; Feng, Songlin

    2013-01-01

    The effects of nitrogen doping on the phase-change performance of Sb-rich Si–Sb–Te materials are systemically investigated, focusing on the chemical state and the role of nitrogen upon crystallization. The tendency of N atoms to bond with Si (SiN x ) in the crystalline film is analyzed by X-ray photoelectron spectroscopy. The microstructures of the materials mixed with Sb 2 Te crystal grains and amorphous Si/SiN x regions are elucidated via in situ transmission electron microscopy, from which a percolation behavior is demonstrated to possibly describe the random crystallization feature in the nucleation-dominated nanocomposite material. The phase-change memory cells based on N-doped Sb-rich Si–Sb–Te materials display more stable and reliable electrical performance than the nitrogen-free ones. An endurance characteristic in the magnitude of 10 7 cycles of the phase-change memory cells is realized with moderate nitrogen addition, meaning that the nitrogen incorporation into Si–Sb–Te material is a suitable method to achieve high-performance phase-change memory for commercial applications

  8. Phase transition in cadmium sulfide single crystals shocked along the c axis

    International Nuclear Information System (INIS)

    Tang, Z.P.; Gupta, Y.M.

    1997-01-01

    Cadmium sulfide crystals were shocked along the crystal c axis to peak stresses ranging between 18 and 75 kbar. Stress-time profiles were measured both at the impact surface and after transmission through 1 to 2-mm-thick samples. Detailed analysis of the present data in combination with published static results makes a persuasive case for the completion of the wurtzite to rocksalt phase change in less than 0.2 μs under shock loading. The main findings are: the transition stress is measured to be 32.5±1kbar; transformation to the final state is a two step process with the first step being too rapid (less than 10 ns) to be observed in our experiments and the second step occurring in 0.1 to 0.2 μs; the transition occurs directly from the elastic state prior to any plastic deformation. The calculated mean stress for the transition is 22.9 kbar in good agreement with the 23 kbar pressure reported in static high pressure studies; the presence of large shear stress has no effect on the transition pressure. Our results suggest that the onset of the phase transition results in plastic deformation and, subsequently, the phase transition and plasticity are coupled under shock loading. copyright 1997 American Institute of Physics

  9. Multiple-phase behavior and memory effect of polymer gel

    CERN Document Server

    Annaka, M; Nakahira, T; Sugiyama, M; Hara, K; Matsuura, T

    2002-01-01

    A poly(4-acrylamidosalicylic acid) gel (PASA gel) exhibits multiple phases as characterized by distinct degrees of swelling; the gel can take one of four different swelling values, but none of the intermediate values. The gel has remarkable memory: the phase behavior of the gel depends on whether the gel has experienced the most swollen phase or the most collapsed phase in the immediate past. The information is stored and reversibly erased in the form of a macroscopic phase transition behavior. The structure factors corresponding to these four phases were obtained by SANS, which indicated the presence of characteristic structures depending on pH and temperature, particularly in the shrunken state. (orig.)

  10. Submicrosecond electro-optic switching in the liquid-crystal smectic A phase: The soft-mode ferroelectric effect

    Science.gov (United States)

    Andersson, G.; Dahl, I.; Keller, P.; Kuczyński, W.; Lagerwall, S. T.; Skarp, K.; Stebler, B.

    1987-08-01

    A new liquid-crystal electro-optic modulating device similar to the surface-stabilized ferroelectric liquid-crystal device is described. It uses the same kind of ferroelectric chiral smectics and the same geometry as that device (thin sample in the ``bookshelf '' layer arrangement) but instead of using a tilted smectic phase like the C* phase, it utilizes the above-lying, nonferroelectric A phase, taking advantage of the electroclinic effect. The achievable optical intensity modulation that can be detected through the full range of the A phase is considerably lower than for the surface-stabilized device, but the response is much faster. Furthermore, the response is strictly linear with respect to the applied electric field. The device concept is thus appropriate for modulator rather than for display applications. We describe the underlying physics and present measurements of induced tilt angle, of light modulation depth, and of rise time.

  11. Effect of atomic initial phase difference on spontaneous emission of an atom embedded in photonic crystal

    International Nuclear Information System (INIS)

    Bing, Zhang; Xiu-Dong, Sun; Xiang-Qian, Jiang

    2010-01-01

    We investigate the effect of initial phase difference between the two excited states of a V-type three-level atom on its steady state behaviour of spontaneous emission. A modified density of modes is introduced to calculate the spontaneous emission spectra in photonic crystal. Spectra in free space are also shown to compare with that in photonic crystal with different relative positions of the excited levels from upper band-edge frequency. It is found that the initial phase difference plays an important role in the quantum interference property between the two decay channels. For a zero initial phase, destructive property is presented in the spectra. With the increase of initial phase difference, quantum interference between the two decay channels from upper levels to ground level turns to be constructive. Furthermore, we give an interpretation for the property of these spectra. (atomic and molecular physics)

  12. Synthesizing lattice structures in phase space

    International Nuclear Information System (INIS)

    Guo, Lingzhen; Marthaler, Michael

    2016-01-01

    In one dimensional systems, it is possible to create periodic structures in phase space through driving, which is called phase space crystals (Guo et al 2013 Phys. Rev. Lett. 111 205303). This is possible even if for particles trapped in a potential without periodicity. In this paper we discuss ultracold atoms in a driven optical lattice, which is a realization of such a phase space crystals. The corresponding lattice structure in phase space is complex and contains rich physics. A phase space lattice differs fundamentally from a lattice in real space, because its coordinate system, i.e., phase space, has a noncommutative geometry, which naturally provides an artificial gauge (magnetic) field. We study the behavior of the quasienergy band structure and investigate the dissipative dynamics. Synthesizing lattice structures in phase space provides a new platform to simulate the condensed matter phenomena and study the intriguing phenomena of driven systems far away from equilibrium. (paper)

  13. The phase diagrams and compensation behaviors of mixed spin Blume-Capel model in a trimodal magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Y.F. [Department of Physics, Suzhou University, Suzhou 215006 (China); Yan, S.L. [Department of Physics, Suzhou University, Suzhou 215006 (China); Jiangsu Key Loboratory of Film Materials, Suzhou University, Suzhou 215006 (China); CCAST (World Laboratory), PO Box 8730, Beijing 100080 (China)], E-mail: slyan@suda.edu.cn

    2008-04-07

    The phase diagrams and compensation behaviors of mixed spin-1/2 and spin-1 Blume-Capel model in a trimodal magnetic field are investigated in the framework of the effective field theory on simple cubic lattice. The change of negative crystal field and trimodal concentration can affect the TCP, the second-order phase and the magnetic field degeneration at ground state in T-H space. In T-D space, the trajectory of the TCP takes on the acre curve and there exist the two TCPs under certain condition. In addition to giving one or two compensation temperature points in M-T space, the mixed spin Blume-Capel model also provides one or two novel compensation magnetic field points in M-H space. Some results are not revealed in previous works.

  14. Dynamics of mineral crystallization from precipitated slab-derived fluid phase: first in situ synchrotron X-ray measurements

    Science.gov (United States)

    Malaspina, Nadia; Alvaro, Matteo; Campione, Marcello; Wilhelm, Heribert; Nestola, Fabrizio

    2015-03-01

    Remnants of the fluid phase at ultrahigh pressure (UHP) in subduction environments may be preserved as primary multiphase inclusions in UHP minerals. The mode of crystallization of daughter minerals during precipitation within the inclusion and/or the mechanism of interaction between the fluid at supercritical conditions and the host mineral are still poorly understood from a crystallographic point of view. A case study is represented by garnet-orthopyroxenites from the Maowu Ultramafic Complex (China) deriving from harzburgite precursors metasomatized at ~4 GPa, 750 °C by a silica- and incompatible trace element-rich fluid phase. This metasomatism produced poikilitic orthopyroxene and inclusion-rich garnet porphyroblasts. Solid multiphase primary inclusions in garnet display a size within a few tens of micrometres and negative crystal shapes. Infilling minerals (spinel: 10-20 vol%; amphibole, chlorite, talc, mica: 80-90 vol%) occur with constant volume proportions and derive from trapped solute-rich aqueous fluids. To constrain the possible mode of precipitation of daughter minerals, we performed for the first time a single-crystal X-ray diffraction experiment by synchrotron radiation at Diamond Light Source. In combination with electron probe microanalyses, this measurement allowed the unique identification of each mineral phase and reciprocal orientations. We demonstrated the epitaxial relationship between spinel and garnet and between some hydrous minerals. Such information is discussed in relation to the physico-chemical aspects of nucleation and growth, shedding light on the mode of mineral crystallization from a fluid phase trapped at supercritical conditions.

  15. Shape effect related to crystallographic orientation of deformation behavior in copper crystals

    International Nuclear Information System (INIS)

    Kim, K.H.; Chang, C.H.; Koo, Y.M.; MacDowell, A.A.

    1999-01-01

    The deformation behavior of pure copper single crystals has been investigated by scanning electron microscopy and synchrotron radiation using the in situ reflection Laue method. Two types of samples with the same orientation of tensile axes, but with different crystallographic orientations in the directions of the width and thickness of the samples, have been studied. They showed different characteristics of deformation behavior, such as the activated slip systems, the movement of the tensile axis, and the mode of fracture

  16. Phase Transition Behavior in a Neutral Evolution Model

    Science.gov (United States)

    King, Dawn; Scott, Adam; Maric, Nevena; Bahar, Sonya

    2014-03-01

    The complexity of interactions among individuals and between individuals and the environment make agent based modeling ideal for studying emergent speciation. This is a dynamically complex problem that can be characterized via the critical behavior of a continuous phase transition. Concomitant with the main tenets of natural selection, we allow organisms to reproduce, mutate, and die within a neutral phenotype space. Previous work has shown phase transition behavior in an assortative mating model with variable fitness landscapes as the maximum mutation size (μ) was varied (Dees and Bahar, 2010). Similarly, this behavior was recently presented in the work of Scott et al. (2013), even on a completely neutral landscape, for bacterial-like fission as well as for assortative mating. Here we present another neutral model to investigate the `critical' phase transition behavior of three mating types - assortative, bacterial, and random - in a phenotype space as a function of the percentage of random death. Results show two types of phase transitions occurring for the parameters of the population size and the number of clusters (an analogue of species), indicating different evolutionary dynamics for system survival and clustering. This research was supported by funding from: University of Missouri Research Board and James S. McDonnell Foundation.

  17. Analysis of phase transitions and crystal structures of novel benzothiophene derivatives

    Science.gov (United States)

    Zhang, Shuo

    Although single crystal X-ray diffraction remains the most important technique for analyzing periodically ordered structures at atomic resolution, single crystal X-ray diffraction of organic macromolecules is challenged by difficulty in growing single crystals of desired size and quality. Electron crystallography of organic macromolecules, on the other hand, is limited by image resolution due to radiation damage and highly dependent on high-resolution instrumentation. Novel alkylated benzothiophene derivatives synthesized previously can be readily fabricated into semiconductor devices for various applications (photodetectors, explosive sensors, field-effect transistors, light-emitting diodes, etc.) via solution process. The object of this research is to identify phase transitions of organic macromolecules of this kind via differential scanning calorimetry and temperature-resolved wide angle X-ray diffraction, and to determine their lattice parameters and space groups by reconstruction of their reciprocal space via transmission electron microscopy/selected area electron diffraction followed by refinement with X-ray diffraction, supplemented by polarized light microscopy. Computer simulation was performed to rationalize the molecular packing schemes, so as to understand the origin of their electronic performance from crystallographic perspective.

  18. Coronagraph Focal-Plane Phase Masks Based on Photonic Crystal Technology: Recent Progress and Observational Strategy

    Science.gov (United States)

    Murakami, Naoshi; Nishikawa, Jun; Sakamoto, Moritsugu; Ise, Akitoshi; Oka, Kazuhiko; Baba, Naoshi; Murakami, Hiroshi; Tamura, Motohide; Traub, Wesley A.; Mawet, Dimitri; hide

    2012-01-01

    Photonic crystal, an artificial periodic nanostructure of refractive indices, is one of the attractive technologies for coronagraph focal-plane masks aiming at direct imaging and characterization of terrestrial extrasolar planets. We manufactured the eight-octant phase mask (8OPM) and the vector vortex mask (VVM) very precisely using the photonic crystal technology. Fully achromatic phase-mask coronagraphs can be realized by applying appropriate polarization filters to the masks. We carried out laboratory experiments of the polarization-filtered 8OPM coronagraph using the High-Contrast Imaging Testbed (HCIT), a state-of-the-art coronagraph simulator at the Jet Propulsion Laboratory (JPL). We report the experimental results of 10-8-level contrast across several wavelengths over 10% bandwidth around 800nm. In addition, we present future prospects and observational strategy for the photonic-crystal mask coronagraphs combined with differential imaging techniques to reach higher contrast. We proposed to apply a polarization-differential imaging (PDI) technique to the VVM coronagraph, in which we built a two-channel coronagraph using polarizing beam splitters to avoid a loss of intensity due to the polarization filters. We also proposed to apply an angular-differential imaging (ADI) technique to the 8OPM coronagraph. The 8OPM/ADI mode avoids an intensity loss due to a phase transition of the mask and provides a full field of view around central stars. We present results of preliminary laboratory demonstrations of the PDI and ADI observational modes with the phase-mask coronagraphs.

  19. Direct Observation of Bloch Harmonics and Negative Phase Velocity in Photonic Crystal Waveguides

    NARCIS (Netherlands)

    Gersen, H.; Karle, T.J.; Engelen, R.J.P.; Engelen, R.J.P.; Bogaerts, W.; Korterik, Jeroen P.; van Hulst, N.F.; Krauss, T.F.; Kuipers, L.

    2005-01-01

    The eigenfield distribution and the band structure of a photonic crystal waveguide have been measured with a phase-sensitive near-field scanning optical microscope. Bloch modes, which consist of more than one spatial frequency, are visualized in the waveguide. In the band structure, multiple

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

    Directory of Open Access Journals (Sweden)

    Michael Vetter

    2016-12-01

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

  1. Unidirectional transmission in 1D nonlinear photonic crystal based on topological phase reversal by optical nonlinearity

    Directory of Open Access Journals (Sweden)

    Chong Li

    2017-02-01

    Full Text Available We propose a scheme of unidirectional transmission in a 1D nonlinear topological photonic crystal based on the topological edge state and three order optical nonlinearity. The 1D photonic crystals consists of a nonlinear photonic crystal L and a linear photonic crystal R. In the backward direction, light is totally reflected for the photons transmission prohibited by the bandgap. While in the forward direction, light interacts with the nonlinear photonic crystal L by optical Kerr effect, bringing a topological phase reversal and results the topological edge mode arising at the interface which could transmit photons through the bandgaps both of the photonic crystal L and R. When the signal power intensity larger than a moderate low threshold value of 10.0 MW/cm2, the transmission contrast ratio could remain at 30 steadily.

  2. Pressure-induced phase transformations in L-alanine crystals

    DEFF Research Database (Denmark)

    Olsen, J. Staun; Gerward, Leif; Freire, P.T.C.

    2008-01-01

    Raman scattering and synchrotron X-ray diffraction have been used to investigate the high-pressure behavior of L-alanine. This study has confirmed a structural phase transition observed by Raman scattering at 2.3 GPa and identified it as a change from orthorhombic to tetragonal structure. Another...... phase transformation from tetragonal to monoclinic structure has been observed at about 9 GPa. From the equation of state, the zero-pressure bulk modulus and its pressure derivative have been determined as (31.5 +/- 1.4) GPa and 4.4 +/- 0.4, respectively....

  3. Effect of crystal orientation on the phase diagrams, dielectric and piezoelectric properties of epitaxial BaTiO3 thin films

    Directory of Open Access Journals (Sweden)

    Huaping Wu

    2016-01-01

    Full Text Available The influence of crystal orientations on the phase diagrams, dielectric and piezoelectric properties of epitaxial BaTiO3 thin films has been investigated using an expanded nonlinear thermodynamic theory. The calculations reveal that crystal orientation has significant influence on the phase stability and phase transitions in the misfit strain-temperature phase diagrams. In particular, the (110 orientation leads to a lower symmetry and more complicated phase transition than the (111 orientation in BaTiO3 films. The increase of compressive strain will dramatically enhance the Curie temperature TC of (110-oriented BaTiO3 films, which matches well with previous experimental data. The polarization components experience a great change across the boundaries of different phases at room temperature in both (110- and (111-oriented films, which leads to the huge dielectric and piezoelectric responses. A good agreement is found between the present thermodynamics calculation and previous first-principles calculations. Our work provides an insight into how to use crystal orientation, epitaxial strain and temperature to tune the structure and properties of ferroelectrics.

  4. Crossover from Polaronic to Magnetically Phase-Separated Behavior in La1-xSrxCoO3

    Science.gov (United States)

    Phelan, D.; El Khatib, S.; Wang, S.; Barker, J.; Zhao, J.; Zheng, H.; Mitchell, J. F.; Leighton, C.

    2013-03-01

    Dilute hole-doping in La1-xSrxCoO3 leads to the formation of ``spin-state polarons'' where a non-zero spin-state is stabilized on the nearest Co3+ ions surrounding a hole. Here, we discuss the development of electronic/magnetic properties of this system from non-magnetic x=0, through the regime of spin-state polarons, and into the region where longer-range spin correlations and phase separation develop. We present magnetometry, transport, heat capacity, and small-angle neutron scattering (SANS) on single crystals. Magnetometry indicates a crossover with x from Langevin-like behavior (polaronic) to a state with a freezing temperature and finite coercivity. Fascinating correlations with this behavior are seen in transport measurements, the evolution from polaronic to clustered states being accompanied by a crossover from Mott variable range hopping to intercluster hopping. SANS data shows Lorentzian scattering from short-range ferromagnetic clusters first emerging around x = 0.03 with correlation lengths of order two unit cells. We argue that this system provides a unique opportunity to understand in detail the crossover from polaronic to truly phase-separated states.

  5. Anisotropic thermal properties and ferroelectric phase transitions in layered CuInP2S6 and CuInP2Se6 crystals

    Science.gov (United States)

    Liubachko, V.; Shvalya, V.; Oleaga, A.; Salazar, A.; Kohutych, A.; Pogodin, A.; Vysochanskii, Yu. M.

    2017-12-01

    Thermal diffusivity and thermal conductivity have been studied for the layered crystals CuInP2S6, CuInP2Se6 from 30 K to 350 K, showing a relevant thermal anisotropy. Heat is much more efficiently transferred within the layers than perpendicular to them. The ferrielectric transition in CuInP2S6 is proven to be clearly first order while the ferroelectric one in CuInP2Se6 has a weak first order character. The behavior of the thermal conductivity as a function of temperature in the ferroelectric phases shows that heat conduction is phonon driven. Disorder in the paraelectric phases due to hopping motions of Cu ions significantly reduces the thermal conductivity to extremely low values.

  6. Routine phasing of coiled-coil protein crystal structures with AMPLE

    Directory of Open Access Journals (Sweden)

    Jens M. H. Thomas

    2015-03-01

    Full Text Available Coiled-coil protein folds are among the most abundant in nature. These folds consist of long wound α-helices and are architecturally simple, but paradoxically their crystallographic structures are notoriously difficult to solve with molecular-replacement techniques. The program AMPLE can solve crystal structures by molecular replacement using ab initio search models in the absence of an existent homologous protein structure. AMPLE has been benchmarked on a large and diverse test set of coiled-coil crystal structures and has been found to solve 80% of all cases. Successes included structures with chain lengths of up to 253 residues and resolutions down to 2.9 Å, considerably extending the limits on size and resolution that are typically tractable by ab initio methodologies. The structures of two macromolecular complexes, one including DNA, were also successfully solved using their coiled-coil components. It is demonstrated that both the ab initio modelling and the use of ensemble search models contribute to the success of AMPLE by comparison with phasing attempts using single structures or ideal polyalanine helices. These successes suggest that molecular replacement with AMPLE should be the method of choice for the crystallographic elucidation of a coiled-coil structure. Furthermore, AMPLE may be able to exploit the presence of a coiled coil in a complex to provide a convenient route for phasing.

  7. Phase behavior of the 38-atom Lennard-Jones cluster

    International Nuclear Information System (INIS)

    Sehgal, Ray M.; Maroudas, Dimitrios; Ford, David M.

    2014-01-01

    We have developed a coarse-grained description of the phase behavior of the isolated 38-atom Lennard-Jones cluster (LJ 38 ). The model captures both the solid-solid polymorphic transitions at low temperatures and the complex cluster breakup and melting transitions at higher temperatures. For this coarse model development, we employ the manifold learning technique of diffusion mapping. The outcome of the diffusion mapping analysis over a broad temperature range indicates that two order parameters are sufficient to describe the cluster's phase behavior; we have chosen two such appropriate order parameters that are metrics of condensation and overall crystallinity. In this well-justified coarse-variable space, we calculate the cluster's free energy landscape (FEL) as a function of temperature, employing Monte Carlo umbrella sampling. These FELs are used to quantify the phase behavior and onsets of phase transitions of the LJ 38 cluster

  8. (Solid + liquid) phase diagram for (indomethacin + nicotinamide)-methanol or methanol/ethyl acetate mixture and solubility behavior of 1:1 (indomethacin + nicotinamide) co-crystal at T = (298.15 and 313.15) K

    International Nuclear Information System (INIS)

    Sun, Xiaowei; Yin, Qiuxiang; Ding, Suping; Shen, Zhiming; Bao, Ying; Gong, Junbo; Hou, Baohong; Hao, Hongxun; Wang, Yongli; Wang, Jingkang; Xie, Chuang

    2015-01-01

    Highlights: • Ternary phase diagrams of (IMC + NCT)-methanol or methanol/ethyl acetate mixture at T = (298.15 and 313.15) K were measured. • The effects of temperature and introduced ethyl acetate on solid phase stability were discussed. • Solubility of (IMC + NCT) cocrystals was first correlated using a model considering solubility product and complexation. • Solubility of (IMC + NCT) cocrystals as a function of co-former concentration was evaluated. - Abstract: (Solid + liquid) equilibrium data for indomethacin (IMC) and nicotinamide (NCT) in both methanol (MeOH) and methanol/ethyl acetate (EA) mixture were determined using a static method at T = (298.15 and 313.15) K under atmospheric pressure. The 1:1 (IMC + NCT) co-crystal and IMC·MeOH were found in both systems under conditions investigated. The solubility of the 1:1 (IMC + NCT) co-crystal was correlated using a mathematical model consisting of both solubility product and a complexation process. Solubility of (IMC + NCT) co-crystals as a function of co-former (NCT) concentration was evaluated. It was found that temperature has a significant effect on the formation of methanol solvate in the systems investigated. Solvate formation could be suppressed either by increasing temperature or using solvent mixtures. Additionally, the solvent mixture could level out the solubility differences between IMC and NCT, resulting in larger and more symmetric regions for the (IMC + NCT) co-crystal, which would be helpful to the development of the co-crystallization process for the 1:1 (IMC + NCT) co-crystal

  9. Continuum mechanical and computational aspects of phase field elasticity as applied to phase transitions and fracture. Final report: DE-FG02-97ER25318, June 1, 1997 - May 31, 2000

    Energy Technology Data Exchange (ETDEWEB)

    Fried, Eliot; Gurtin, Morton E.

    2001-04-20

    The central focus of the research carried out under this grant is the application of continuum mechanics to materials science, specifically to the macroscopic characterization of material behavior at small length scales. Specifically, research was carried out in the following general areas: dislocations in solids; point defects in liquid crystals; dynamic fracture; diffusional phase transitions in deformable solids; incoherent phase interfaces; phase field simulations of twinning and coarsening in solids; crystal plasticity; microforce theories for diffusion and recrystallization; granular flow.

  10. Abnormal viscoelastic behavior of side-chain liquid-crystal polymers

    Science.gov (United States)

    Gallani, J. L.; Hilliou, L.; Martinoty, P.; Keller, P.

    1994-03-01

    We show that, contrary to what is commonly believed, the isotropic phase of side-chain liquid-crystal polymers has viscoelastic properties which are totally different from those of ordinary flexible melt polymers. The results can be explained by the existence of a transient network created by the dynamic association of mesogenic groups belonging to different chains. The extremely high sensitivity of the compound to the state of the surfaces with which it is in contact offers us an unexpected method of studying surface states.

  11. Phase change and optical band gap behavior of Se0.8S0.2 chalcogenide glass films

    International Nuclear Information System (INIS)

    Abdel Rafea, M.; Farid, Huda

    2009-01-01

    Se 0.8 S 0.2 chalcogenide glass films have been prepared by thermal vacuum evaporation technique with thickness 583 nm. Annealing process at T ≥ 333 K crystallizes the films and nanostructured films are formed. The crystallite size was increased to 24 nm as the annealing temperature increased to 373 K. Orthorhombic crystalline system was identified for the annealed films. SEM micrographs show that films consist of two parallel surfaces and the thickness was determined by cross section imaging. The optical transmittance is characterized by interference patterns as a result of these two parallel surfaces, besides their average value at longer wavelength decreases as a result of annealing process. The band gap, E g is red shifted due to crystallization by annealing. As the phase of the films changes from amorphous to crystalline in the annealing temperature range 333-363 K, a non sharp change of the band gap (E g ) is observed. This change was explained by Brus's model of the energy gap confinement behavior of the nanostructured films. The optical refractive index increases suddenly when the system starts to be crystallized by annealing

  12. Determination of thermal diffusivity at low temperature using the two-beam phase-lag photoacoustic method with observation of phase-transitions

    International Nuclear Information System (INIS)

    Jorge, M.P.P.

    1992-01-01

    This study consists of the determination of thermal diffusivity int he temperature range from 77 K to 300 K by the two-beam phase-lag photoacoustic method. Room temperature measurements of NTD (neutron transmutation doping) silicon suggest that the doping process does not affect its thermal properties. For the superconductor Y Ba 2 Cu 3 O 7 - x it has been verified that the sample density affects its thermal diffusivity. The validity of the experimental method on the Li K SO 4 crystal has been examined by using the thermal diffusivity of a Li F crystal and an Y 2 O 3 ceramic, at room temperature. The behavior of the thermal diffusivity as a function of the temperature for the Li K SO 4 crystal shows two anomalies which correspond at phase-transitions of this crystal in the studied temperature range. (author)

  13. Moessbauer diffraction study of the Neel phase transition in Fe3BO6 crystal

    International Nuclear Information System (INIS)

    Kovalenko, P.P.; Labushkin, V.G.; Sarkisov, Eh.R.; Tolpekin, I.G.

    1987-01-01

    Phase transitions in a 57 Fe 3 BO 6 monocrystal in the vicinity of the Neel point, T N =507.5 K were investigated by means of the Moessbauergraphy. For the first time the relaxation type of Moessbauer spectra was observed near the phase transition point. First in the Moessbauer diffraction spectrum of the crystal the simultaneous presence of a component resulted from magnetic ordering and a paramagnetic component was observed

  14. The Phase Behavior of γ-Oryzanol and β-Sitosterol in Edible Oil

    NARCIS (Netherlands)

    Sawalha, H.I.M.; Venema, P.; Bot, A.; Flöter, E.; Adel, den R.; Linden, van der E.

    2015-01-01

    The phase behavior of binary mixtures of ¿-oryzanol and ß-sitosterol and ternary mixtures of ¿-oryzanol and ß-sitosterol in sunflower oil was studied. Binary mixtures of ¿-oryzanol and ß-sitosterol show double-eutectic behavior. Complex phase behavior with two intermediate mixed solid phases was

  15. Crystal-phase intergradation in InAs nanostructures grown by van der Waals heteroepitaxy on graphene

    Science.gov (United States)

    Choi, Ji Eun; Yoo, Jinkyoung; Lee, Donghwa; Hong, Young Joon; Fukui, Takashi

    2018-04-01

    This study demonstrates the crystal-phase intergradation of InAs nanostructures grown on graphene via van der Waals epitaxy. InAs nanostructures with diverse diameters are yielded on graphene. High-resolution transmission electron microscopy (HR-TEM) reveals two crystallographic features of (i) wurtzite (WZ)-to-zinc blende (ZB) intergradation along the growth direction of InAs nanostructures and (ii) an increased mean fraction of ZB according to diameter increment. Based on the HR-TEM observations, a crystal-phase intergradation diagram is depicted. We discuss how the formation of a WZ-rich phase during the initial growth stage is an effective way of releasing heterointerfacial stress endowed by the lattice mismatch of InAs/graphene for energy minimization in terms of less in-plane lattice mismatching between WZ-InAs and graphene. The WZ-to-ZB evolution is responsible for the attenuation of the bottom-to-top surface charge interaction as growth proceeds.

  16. Crystal nucleation and dendrite growth of metastable phases in undercooled melts

    International Nuclear Information System (INIS)

    Herlach, Dieter

    2011-01-01

    Research highlights: → Homogenous nucleation. → Effects of convection on dendrite growth kinetics. → Description of disorder trapping validated by experiment. - Abstract: An undercooled melt possesses an enhanced free enthalpy that opens up the possibility to crystallize metastable crystalline solids in competition with their stable counterparts. Crystal nucleation selects the crystallographic phase whereas the growth dynamics controls microstructure evolution. We apply containerless processing techniques such as electromagnetic and electrostatic levitation to containerlesss undercool and solidify metallic melts. Owing to the complete avoidance of heterogeneous nucleation on container-walls a large undercooling range becomes accessible with the extra benefit that the freely suspended drop is direct accessible for in situ observation of crystallization far away from equilibrium. Results of investigations of maximum undercoolability on pure zirconium are presented showing the limit of maximum undercoolability set by the onset of homogeneous nucleation. Rapid dendrite growth is measured as a function of undercooling by a high-speed camera and analysed within extended theories of non-equilibrium solidification. In such both supersaturated solid solutions and disordered superlattice structure of intermetallics are formed at high growth velocities. A sharp interface theory of dendrite growth is capable to describe the non-equilibrium solidification phenomena during rapid crystallization of deeply undercooled melts. Eventually, anomalous growth behaviour of Al-rich Al-Ni alloys is presented, which may be caused by forced convection.

  17. Lidar inelastic multiple-scattering parameters of cirrus particle ensembles determined with geometrical-optics crystal phase functions.

    Science.gov (United States)

    Reichardt, J; Hess, M; Macke, A

    2000-04-20

    Multiple-scattering correction factors for cirrus particle extinction coefficients measured with Raman and high spectral resolution lidars are calculated with a radiative-transfer model. Cirrus particle-ensemble phase functions are computed from single-crystal phase functions derived in a geometrical-optics approximation. Seven crystal types are considered. In cirrus clouds with height-independent particle extinction coefficients the general pattern of the multiple-scattering parameters has a steep onset at cloud base with values of 0.5-0.7 followed by a gradual and monotonic decrease to 0.1-0.2 at cloud top. The larger the scattering particles are, the more gradual is the rate of decrease. Multiple-scattering parameters of complex crystals and of imperfect hexagonal columns and plates can be well approximated by those of projected-area equivalent ice spheres, whereas perfect hexagonal crystals show values as much as 70% higher than those of spheres. The dependencies of the multiple-scattering parameters on cirrus particle spectrum, base height, and geometric depth and on the lidar parameters laser wavelength and receiver field of view, are discussed, and a set of multiple-scattering parameter profiles for the correction of extinction measurements in homogeneous cirrus is provided.

  18. Phase Diagram of Binary Mixture E7:TM74A Liquid Crystals

    Directory of Open Access Journals (Sweden)

    Serafin Delica

    1999-12-01

    Full Text Available Although there are many liquid crystalline materials, difficulty is often experienced in obtaining LCs that are stable and has a wide mesophase range. In this study, mixtures of two different LCs were used to formulate a technologically viable LC operating at room temperature. Nematic E7(BDH and cholesteric TM74A were mixed at different weight ratios at 10% increments. Transition temperatures were determined via Differential Scanning Calorimetry and phase identification was done using Optical Polarizing Microscopy. The phase diagram showed the existence of three different phases for the temperature range of 10-80°C. Mixtures with 0-20% E7 exhibit only the cholesteric-nematic mesophase, which could be due to the mixture's being largely TM74A and its behavior in the temperature range considered is similar to the behavior of pure TM74A. With an increase in the concentration of E7, the smectic phase of the pure cholesteric was enhanced, as seen from the increased transition to the cholesteric-nematic phase and a broader smectic range. The cholesteric-nematic to isotropic transition increased as the nematic concentration increases, following the behavior expected from LC mixtures. For mixtures that are largely nematic (more than 50% E7, the smectic phase has vanished and the cholesteric-nematic phase dominated from 30-60°C.

  19. Photo-Induced Phase Transitions to Liquid Crystal Phases: Influence of the Chain Length from C8E4 to C14E4

    Directory of Open Access Journals (Sweden)

    Simone Techert

    2009-09-01

    Full Text Available Photo-induced phase transitions are characterized by the transformation from phase A to phase B through the absorption of photons. We have investigated the mechanism of the photo-induced phase transitions of four different ternary systems CiE4/alkane (i with n = 8, 10, 12, 14; cyclohexane/H2O. We were interested in understanding the effect of chain length increase on the dynamics of transformation from the microemulsion phase to the liquid crystal phase. Applying light pump (pulse/x-ray probe (pulse techniques, we could demonstrate that entropy and diffusion control are the driving forces for the kind of phase transition investigated.

  20. Crystal structure and thermal behavior of KB3O6

    International Nuclear Information System (INIS)

    Bubnova, R.S.; Fundamenskij, V.S.; Filatov, S.K.; Polyakova, I.G.

    2004-01-01

    The structure of potassium triborate prepared in metastable state by crystallization from melt at ∼ 800 deg C was studied by the method of X-ray diffraction analysis. It was ascertained that KB 3 O 6 belongs to monoclinic crystal system, space group P2 1 /c, a = 9.319(1), b = 6.648(1), c = 21.094(2) A, β = 94.38(1) deg, Z = 12. The compound is referred to a new structural type. Anion of the structure is a single boron-oxygen frame formed by three independent rigid triborate rings of [B 3 O 5 ] - , each of them consisting of two BO 3 triangles and BO 4 tetrahedron. Phase transformations during KB 3 O 6 heating up to 800 deg C, as well as thermal expansion in the range of 20-650 deg C, were studied [ru

  1. Effects of monoclinic symmetry on the properties of biaxial liquid crystals

    Science.gov (United States)

    Solodkov, Nikita V.; Nagaraj, Mamatha; Jones, J. Cliff

    2018-04-01

    Tilted smectic liquid crystal phases such as the smectic-C phase seen in calamitic liquid crystals are usually treated using the assumption of biaxial orthorhombic symmetry. However, the smectic-C phase has monoclinic symmetry, thereby allowing disassociation of the principal optic and dielectric axes based on symmetry and invariance principles. This is demonstrated here by comparing optical and dielectric measurements for two materials with highly first-order direct transitions from nematic to smectic-C phases. The results show a high difference between the orientations of the principal axes sets, which is interpreted as the existence of two distinct cone angles for optical and dielectric frequencies. Both materials exhibit an increasing degree of monoclinic behavior with decreasing temperature. Due to fast switching speeds, ferroelectric smectic-C* materials are important for fast modulators and LCoS devices, where the dielectric biaxiality influences device operation.

  2. (Li1−xFexOHFeSe Superconductors: Crystal Growth, Structure, and Electromagnetic Properties

    Directory of Open Access Journals (Sweden)

    Guo-Yong Zhang

    2017-06-01

    Full Text Available This review focuses on the growth of high-quality (Li1−xFexOHFeSe single crystals by a hydrothermal method using floating-zone-grown AxFe2−ySe2 (A = K, Rb, and Cs as precursors. The structure, superconductivity, and magnetic behavior of the obtained crystals are highly influenced by the growth conditions, such as time, temperature, and composition. A phase diagram with temperature against the c-lattice constant is summarized including the antiferromagnetic spin density wave, superconducting, and paramagnetic phases.

  3. The effect of UV exposure and heat treatment on crystallization behavior of photosensitive glasses

    Science.gov (United States)

    Kıbrıslı, Orhan; Ersundu, Ali Erçin

    2018-05-01

    In this study, photosensitive glasses in the Na2O-ZnO-Al2O3-SiO2 system with photosensitizing agents (cerium, silver, tin, antimony) and halogenides (NaF and KBr) were synthesized through a conventional melt-quenching technique. The crystallization mechanism was investigated for solely heat-treated and UV-exposed + heat-treated samples using differential thermal analysis (DTA), X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDS) and scanning electron microscopy (SEM) techniques to understand the effect of UV exposure on crystallization behavior of photosensitive glasses. Accordingly, non-isothermal DTA measurements were performed at different heating rates to determine crystallization peak, T p, and onset, T c, temperatures. For solely heat-treated samples, the kinetic parameters such as the Avrami constant, n, and morphology index, m, were calculated as 1 from the Ozawa method indicating surface crystallization and the value of crystallization activation energy was calculated as 944 kJ/mol using modified Kissinger method. On the contrary, bulk crystallization was found to be predominant for UV exposed + heat-treated samples revealing that UV exposure is the primary cause of bulk crystallization in photosensitive glasses.

  4. High-pressure high-temperature phase diagram of organic crystal paracetamol

    Science.gov (United States)

    Smith, Spencer J.; Montgomery, Jeffrey M.; Vohra, Yogesh K.

    2016-01-01

    High-pressure high-temperature (HPHT) Raman spectroscopy studies have been performed on the organic crystal paracetamol in a diamond anvil cell utilizing boron-doped heating diamond anvil. Isobaric measurements were conducted at pressures up to 8.5 GPa and temperature up to 520 K in five different experiments. Solid state phase transitions from monoclinic Form I  →  orthorhombic Form II were observed at various pressures and temperatures as well as transitions from Form II  →  unknown Form IV. The melting temperature for paracetamol was observed to increase with increasing pressures to 8.5 GPa. This new data is combined with previous ambient temperature high-pressure Raman and x-ray diffraction data to create the first HPHT phase diagram of paracetamol.

  5. High-pressure high-temperature phase diagram of organic crystal paracetamol

    International Nuclear Information System (INIS)

    Smith, Spencer J; Montgomery, Jeffrey M; Vohra, Yogesh K

    2016-01-01

    High-pressure high-temperature (HPHT) Raman spectroscopy studies have been performed on the organic crystal paracetamol in a diamond anvil cell utilizing boron-doped heating diamond anvil. Isobaric measurements were conducted at pressures up to 8.5 GPa and temperature up to 520 K in five different experiments. Solid state phase transitions from monoclinic Form I  →  orthorhombic Form II were observed at various pressures and temperatures as well as transitions from Form II  →  unknown Form IV. The melting temperature for paracetamol was observed to increase with increasing pressures to 8.5 GPa. This new data is combined with previous ambient temperature high-pressure Raman and x-ray diffraction data to create the first HPHT phase diagram of paracetamol. (paper)

  6. Orientation selection process during the early stage of cubic dendrite growth: A phase-field crystal study

    International Nuclear Information System (INIS)

    Tang Sai; Wang Zhijun; Guo Yaolin; Wang Jincheng; Yu Yanmei; Zhou Yaohe

    2012-01-01

    Using the phase-field crystal model, we investigate the orientation selection of the cubic dendrite growth at the atomic scale. Our simulation results reproduce how a face-centered cubic (fcc) octahedral nucleus and a body-centered cubic (bcc) truncated-rhombic dodecahedral nucleus choose the preferred growth direction and then evolve into the dendrite pattern. The interface energy anisotropy inherent in the fcc crystal structure leads to the fastest growth velocity in the 〈1 0 0〉 directions. New { 1 1 1} atomic layers prefer to nucleate at positions near the tips of the fcc octahedron, which leads to the directed growth of the fcc dendrite tips in the 〈1 0 0〉 directions. A similar orientation selection process is also found during the early stage of bcc dendrite growth. The orientation selection regime obtained by phase-field crystal simulation is helpful for understanding the orientation selection processes of real dendrite growth.

  7. Purification, crystallization, X-ray diffraction analysis and phasing of an engineered single-chain PvuII restriction endonuclease

    International Nuclear Information System (INIS)

    Meramveliotaki, Chrysi; Kotsifaki, Dina; Androulaki, Maria; Hountas, Athanasios; Eliopoulos, Elias; Kokkinidis, Michael

    2007-01-01

    PvuII is the first type II restriction endonuclease to be converted from its wild-type homodimeric form into an enzymatically active single-chain variant. The enzyme was crystallized and phasing was successfully performed by molecular replacement. The restriction endonuclease PvuII from Proteus vulgaris has been converted from its wild-type homodimeric form into the enzymatically active single-chain variant scPvuII by tandemly joining the two subunits through the peptide linker Gly-Ser-Gly-Gly. scPvuII, which is suitable for the development of programmed restriction endonucleases for highly specific DNA cleavage, was purified and crystallized. The crystals diffract to a resolution of 2.35 Å and belong to space group P4 2 , with unit-cell parameters a = b = 101.92, c = 100.28 Å and two molecules per asymmetric unit. Phasing was successfully performed by molecular replacement

  8. Behavior of water of crystallization in CuSO4·5H2O studied by the tritium tracer method

    International Nuclear Information System (INIS)

    Sato, Tetsuya; Jiao, Yurong; Imaizumi, Hiroshi; Kano, Naoki

    2011-01-01

    Tritium (T) is one of hydrogen isotopes, and its chemical behavior is similar to other hydrogen isotopes. Therefore tritium is used as one of tracers in chemical experimental tracer. As one of applications, we tried to apply this method to clarifying the behavior of water of crystallization in an inorganic material. The sample used was copper sulfate pentahydrate. First, this compound was tritiated, then desorbed the water of crystallization from the tritiated compound. Comparing the behavior of amount of substance with the specific activity, the following four matters have been found. (1) There is no relation between each T concentration of HTO water and the mass of the compound within the T concentration used. (2) It can be confirmed that copper sulfate pentahydrate has three kinds of energetically different water of crystallization by T tracer method. (3) Each T concentration of water of crystallization is different at the coordinate position, and the HTO molecule is hard to coordinate at the position having weak binding force. (4) The T tracer method is useful to analyze the behavior of the combined water in materials. (author)

  9. Crystallization Kinetics and Characterization of Nanostructure Mica Glass-Ceramics with Optical Transparency

    Directory of Open Access Journals (Sweden)

    P. Alizadeh

    2014-01-01

    Full Text Available Transparent glasses in a system of Li2O-MgO-SiO2-Al2O3-Fchemical constituents were prepared by melt quenching method. In the fabrication of nanocrystal glass-ceramics, controlled nucleation and subsequent crystal growth were necessary to avoid loss of transparency. It was therefore important to understand thermal properties and crystallization kinetics of the glass ceramics. The crystallization behavior of the prepared glass was investigated by DTA, XRD and SEM. By crystallization heat-treatment, various crystalline phases, microstructure and transmittance were obtained. The sellaite was first precipitated as the nuclei before the crystallization of mica and then mica nanocrystals were precipitated with average size of

  10. Traders' behavioral coupling and market phase transition

    Science.gov (United States)

    Ma, Rong; Zhang, Yin; Li, Honggang

    2017-11-01

    Traditional economic theory is based on the assumption that traders are completely independent and rational; however, trading behavior in the real market is often coupled by various factors. This paper discusses behavioral coupling based on the stock index in the stock market, focusing on the convergence of traders' behavior, its effect on the correlation of stock returns and market volatility. We find that the behavioral consensus in the stock market, the correlation degree of stock returns, and the market volatility all exhibit significant phase transitions with stronger coupling.

  11. Crystallization behavior of ZrO{sub 2}−3Y{sub 2}O{sub 3}−xSrO precursor powders synthesized by a coprecipitation process

    Energy Technology Data Exchange (ETDEWEB)

    Chu, Hsueh-Liang [Department of Materials Science and Engineering, National Cheng Kung University, 1 Ta- Hsueh Road, Tainan 70101, Taiwan (China); Hwang, Weng-Sing [Department of Materials Science and Engineering, National Cheng Kung University, 1 Ta- Hsueh Road, Tainan 70101, Taiwan (China); Institute of Nanotechnology and Microsystems Engineering, National Cheng Kung University, 1 Ta- Hsueh Road, Tainan 70101, Taiwan (China); Du, Je-Kang [Department of Dentistry, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 80708, Taiwan (China); Department of Dentistry, Kaohsiung Medical University, Chung Ho Memorial Hospital, 100 Tzyou 1st Road, Kaohsiung 80708, Taiwan (China); Chen, Ker-Kong, E-mail: enamel@kmu.edu.tw [Department of Dentistry, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 80708, Taiwan (China); Department of Dentistry, Kaohsiung Medical University, Chung Ho Memorial Hospital, 100 Tzyou 1st Road, Kaohsiung 80708, Taiwan (China); Wang, Moo-Chin, E-mail: mcwang@kmu.edu.tw [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 80708, Taiwan (China)

    2016-09-05

    Crystallization behaviors of ZrO{sub 2}−3Y{sub 2}O{sub 3}−xSrO precursor powders were studied with zirconium nitrate (Zr(NO{sub 3}){sub 4}·xH{sub 2}O), yttrium nitrate (Y(NO{sub 3}){sub 3}·6H{sub 2}O) and strontium nitrate (Sr(NO{sub 3}){sub 2}) constituting the initial materials. Differential thermal analysis (DTA), X-ray diffraction (XRD), transmission electron microscopy (TEM), selected area electron diffraction (SAED), nano beam electron diffraction (NBED) and high-resolution TEM (HRTEM) were utilized to characterize the crystallization behavior of ZrO{sub 2}−3Y{sub 2}O{sub 3}−xSrO precursor powders. The activation energies of tetragonal ZrO{sub 2} (t-ZrO{sub 2}) crystallization were 389.1, 327.6, and 315.1 kJ/mol with SrO content for 1, 2, and 3 mol%, respectively, obtained with a non-isothermal method. The growth morphology parameter and growth mechanism index were close to 2.0 and 1.0, respectively, showing that t-ZrO{sub 2} had a plate-like morphology. - Highlights: • The single phase of tetragonal ZrO{sub 2} formed when calcined at 923 K for 2 h. • ZrO{sub 2}−3Y{sub 2}O{sub 3}−2SrO precursor powders crystallization is at 765.6 K. • The activation energy of t-ZrO{sub 2} crystallization was 389.1 kJ/mol with 1 mol% SrO. • The growth morphology and index of crystallization were close to 2.0 and 1.0.

  12. Glass and liquid phase diagram of a polyamorphic monatomic system

    Science.gov (United States)

    Reisman, Shaina; Giovambattista, Nicolas

    2013-02-01

    We perform out-of-equilibrium molecular dynamics (MD) simulations of a monatomic system with Fermi-Jagla (FJ) pair potential interactions. This model system exhibits polyamorphism both in the liquid and glass state. The two liquids, low-density (LDL) and high-density liquid (HDL), are accessible in equilibrium MD simulations and can form two glasses, low-density (LDA) and high-density amorphous (HDA) solid, upon isobaric cooling. The FJ model exhibits many of the anomalous properties observed in water and other polyamorphic liquids and thus, it is an excellent model system to explore qualitatively the thermodynamic properties of such substances. The liquid phase behavior of the FJ model system has been previously characterized. In this work, we focus on the glass behavior of the FJ system. Specifically, we perform systematic isothermal compression and decompression simulations of LDA and HDA at different temperatures and determine "phase diagrams" for the glass state; these phase diagrams varying with the compression/decompression rate used. We obtain the LDA-to-HDA and HDA-to-LDA transition pressure loci, PLDA-HDA(T) and PHDA-LDA(T), respectively. In addition, the compression-induced amorphization line, at which the low-pressure crystal (LPC) transforms to HDA, PLPC-HDA(T), is determined. As originally proposed by Poole et al. [Phys. Rev. E 48, 4605 (1993)], 10.1103/PhysRevE.48.4605 simulations suggest that the PLDA-HDA(T) and PHDA-LDA(T) loci are extensions of the LDL-to-HDL and HDL-to-LDL spinodal lines into the glass domain. Interestingly, our simulations indicate that the PLPC-HDA(T) locus is an extension, into the glass domain, of the LPC metastability limit relative to the liquid. We discuss the effects of compression/decompression rates on the behavior of the PLDA-HDA(T), PHDA-LDA(T), PLPC-HDA(T) loci. The competition between glass polyamorphism and crystallization is also addressed. At our "fast rate," crystallization can be partially suppressed and the

  13. Study on glass formation and crystallization of Zr54.5Cu20Al10Ni8Ti75 alloy

    International Nuclear Information System (INIS)

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

    2009-01-01

    The microstructure of Zr 54.5 Cu 20 Al 10 Ni 8 Ti 75 alloy has been examined after solidification involving three different techniques viz., copper mould casting, suction casting and melt spinning. The bulk glass microstructure of the alloy obtained through copper mould casting was found to comprise of big cube Zr 2 Ni phase in a dendritic morphology and tetragonal Zr 2 Ni phase in a faulted morphology besides the amorphous phase. High-resolution electron microscopy (HREM) was carried out to examine the internal structure and interface structure of the phases. The dendritic phase was found to consist of primary and secondary dendrite arms with faceted as well rounded interfaces with the amorphous phase. Ledges were noticed at either of the interfaces with higher density at the rounded interfaces. The presence of the faulted phase was noticed in between dendritic arms. The faulted phase was found to consist of different domains corresponding to different orientations. A variety of interfaces could be noticed between these individual domains and also within a single domain itself. At least three different kinds of faulted region were identified to coexist in a single domain. The melt spun ribbon and bulk glass made through suction casting was found to be fully amorphous. The amorphous phase obtained from the three different techniques showed different degrees of medium range order as revealed by the fluctuation microscopy technique. Crystallization behavior of as solidified structures has been examined by comparing the crystallization kinetics and microstructure. Crystallization led to the transformation of the amorphous phase to nanocrystals in all the cases. The crystallization event was found to be singular in the case of copper mold cast bulk glass and multiple in the case of suction cast bulk glass and ribbon. The phase forming on crystallization was found to be the same faulted tetragonal Zr 2 Ni that was encountered during solidification. Multiple domains

  14. Crystal phase transition in LixNa1-xGdF4 solid solution nanocrystals - Tuning of optical properties

    KAUST Repository

    Bański, Mateusz

    2014-01-01

    The influence of precursor composition on the crystallization of LixNa1-xGdF4 is investigated and discussed. Nanocrystals are prepared from the thermal decomposition of trifluoroacetates in the presence of trioctylphosphine oxide to provide control over particle size. A crystal phase transition from hexagonal to cubic and to tetragonal is observed by increasing lithium trifluoroacetate (Li-TFA) in the solution. Controlling the composition of LixNa1-xGdF4 nanocrystals results in modified crystal field symmetry and emission properties from doped europium (Eu3+) ions. We report that for lithium (Li+) substitution <15%, the hexagonal crystal field is preferred, while the Eu3+ emission is already tuned, whereas at higher Li+ substitution, a phase change takes place and the number of crystalline matrix defects increases which is reflected in the optical properties of Eu3+. From Eu3+ emission properties, the optimum Li+ content is determined to be ∼6.2% in the prepared LixNa1-xGdF4 nanocrystals.

  15. Phase control of spin waves based on a magnetic defect in a one-dimensional magnonic crystal

    Science.gov (United States)

    Baumgaertl, Korbinian; Watanabe, Sho; Grundler, Dirk

    2018-04-01

    Magnonic crystals are interesting for spin-wave based data processing. We investigate one-dimensional magnonic crystals (1D MCs) consisting of bistable Co 20 Fe 60 B 20 nanostripes separated by 75 nm wide air gaps. By adjusting the magnetic history, we program a single stripe of opposed magnetization in an otherwise saturated 1D MC. Its influence on propagating spin waves is studied via broadband microwave spectroscopy. Depending on an in-plane bias magnetic field, we observe spin wave phase shifts of up to almost π and field-controlled attenuation attributed to the reversed nanostripe. Our findings are of importance for magnetologics, where the control of spin wave phases is essential.

  16. Effect of crystal orientation on the phase diagrams, dielectric and piezoelectric properties of epitaxial BaTiO{sub 3} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Huaping, E-mail: wuhuaping@gmail.com, E-mail: hpwu@zjut.edu.cn [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China); State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology, Dalian 116024 (China); Ma, Xuefu; Zhang, Zheng; Zeng, Jun; Chai, Guozhong [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China); Wang, Jie [Department of Engineering Mechanics, School of Aeronautics and Astronautics, Zhejiang University, Hangzhou 310027 (China)

    2016-01-15

    The influence of crystal orientations on the phase diagrams, dielectric and piezoelectric properties of epitaxial BaTiO{sub 3} thin films has been investigated using an expanded nonlinear thermodynamic theory. The calculations reveal that crystal orientation has significant influence on the phase stability and phase transitions in the misfit strain-temperature phase diagrams. In particular, the (110) orientation leads to a lower symmetry and more complicated phase transition than the (111) orientation in BaTiO{sub 3} films. The increase of compressive strain will dramatically enhance the Curie temperature T{sub C} of (110)-oriented BaTiO{sub 3} films, which matches well with previous experimental data. The polarization components experience a great change across the boundaries of different phases at room temperature in both (110)- and (111)-oriented films, which leads to the huge dielectric and piezoelectric responses. A good agreement is found between the present thermodynamics calculation and previous first-principles calculations. Our work provides an insight into how to use crystal orientation, epitaxial strain and temperature to tune the structure and properties of ferroelectrics.

  17. Eutectic crystallization behavior of new Zr48Cu36Al8Ag8 alloy with high glass-forming ability

    International Nuclear Information System (INIS)

    Zhang, Q S; Zhang, W; Xie, G Q; Inoue, A

    2009-01-01

    A water quenching method is used to produce as-cast Zr 48 Cu 36 Al 8 Ag 8 rods with diameters from 20 mm to 25 mm. The microstructures of the as-cast samples were investigated by X-ray diffraction, optical microscopy and scanning electron microscopy. Furthermore, the crystallization behavior of the Zr 48 Cu 36 Al 8 Ag 8 glassy alloy was examined by XRD and transmission electron microscopy. Based on the results obtained one can assume that the simultaneous precipitation of the Zr 2 Cu+AlCu 2 Zr eutectic phases is the possible reason for the high stabilization of the quaternary Zr 48 Cu 36 Al 8 Ag 8 supercooled liquid.

  18. Phase transformation of guanosine 5'-monophosphate in drowning-out crystallization: Comparison of experimental results with mathematical modeling

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Anh-Tuan; Kang, Jeong-Ki; Kim, Woo-Sik [Department of Chemical Engineering, Kyung Hee University, Seocheon-Dong, Giheung-Gu, 446-701 Yongin-Si (Korea, Republic of); Choi, Guang Jin [Department of Pharmaceutical Engineering, Inje University, 607 Uhbang-Dong, Gimhae, 621-746 Kyungnam (Korea, Republic of)

    2011-01-15

    The phase transformation of Guanosine 5{sup '}-Monophousphate (GMP) in drowning-out crystallization using a batch system was experimentally monitored and mathematically modeled. The solid (amorphous and crystalline GMP hydrate) and liquid phases of the GMP products were simultaneously monitored using a video microscope, FT-IR, and UV/Vis spectroscopy during the phase transformation. For the modeling, the phase transformation was assumed to occur via the simultaneous dissolution of amorphous GMP and growth of crystalline GMP hydrate in the solution. Based on a comparison of the experimental results and model predictions, both the dissolution and growth of the GMP solids were found to contribute competitively to the phase transformation. When varying the crystallization conditions, in this case the agitation speed and feed concentration, the phase transformation was significantly promoted when increasing the agitation speed, yet independent of the feed concentration. The simple mathematical model used for the GMP phase transformation was quite successful in describing the experimental results. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  19. Non-Darcy behavior of two-phase channel flow.

    Science.gov (United States)

    Xu, Xianmin; Wang, Xiaoping

    2014-08-01

    We study the macroscopic behavior of two-phase flow in porous media from a phase-field model. A dissipation law is first derived from the phase-field model by homogenization. For simple channel geometry in pore scale, the scaling relation of the averaged dissipation rate with the velocity of the two-phase flow can be explicitly obtained from the model which then gives the force-velocity relation. It is shown that, for the homogeneous channel surface, Dacry's law is still valid with a significantly modified permeability including the contribution from the contact line slip. For the chemically patterned surfaces, the dissipation rate has a non-Darcy linear scaling with the velocity, which is related to a depinning force for the patterned surface. Our result offers a theoretical understanding on the prior observation of non-Darcy behavior for the multiphase flow in either simulations or experiments.

  20. Accidental degeneracy in photonic bands and topological phase transitions in two-dimensional core-shell dielectric photonic crystals.

    Science.gov (United States)

    Xu, Lin; Wang, Hai-Xiao; Xu, Ya-Dong; Chen, Huan-Yang; Jiang, Jian-Hua

    2016-08-08

    A simple core-shell two-dimensional photonic crystal is studied where the triangular lattice symmetry and the C6 point group symmetry give rich physics in accidental touching points of photonic bands. We systematically evaluate different types of accidental nodal points at the Brillouin zone center for transverse-magnetic harmonic modes when the geometry and permittivity of the core-shell material are continuously tuned. The accidental nodal points can have different dispersions and topological properties (i.e., Berry phases). These accidental nodal points can be the critical states lying between a topological phase and a normal phase of the photonic crystal. They are thus very important for the study of topological photonic states. We show that, without breaking time-reversal symmetry, by tuning the geometry of the core-shell material, a phase transition into the photonic quantum spin Hall insulator can be achieved. Here the "spin" is defined as the orbital angular momentum of a photon. We study the topological phase transition as well as the properties of the edge and bulk states and their application potentials in optics.

  1. Effects of quartz on crystallization behavior of mold fluxes and microstructural characteristics of flux film.

    Science.gov (United States)

    Lei, Liu; Xiuli, Han; Mingduo, Li; Di, Zhang

    2018-01-01

    Mold fluxes are mainly prepared using cement clinker, quartz, wollastonite, borax, fluorite, soda ash and other mineral materials. Quartz, as one of the most common and essential materials, was chosen for this study to analyze itseffects on crystallization temperature, critical cooling rate, crystal incubation time, crystallization ratio and phases of flux film. We used the research methods of process mineralogy with the application of the single hot thermocouple technique, heat flux simulator, polarizing microscope, X-ray diffraction, etc. Results: By increasing the quartz content from 16 mass% to 24 mass%, the crystallization temperature, critical cooling rate and crystallization ratio of flux film decreased, and the crystal incubation time was extended. Meanwhile, the mineralogical structure of the flux film changed, with a large amount of wollastonite precipitation and a significant decrease in the cuspidine content until it reached zero. This showed a steady decline in the heat transfer control capacity of the flux film. The reason for the results above is that, by increasing the quartz content, the silicon-oxygen tetrahedron network structure promoted a rise in viscosity and restrained ion migration, inhibiting crystal nucleation and growth, leading to the weakening of the crystallization and a decline in the crystallization ratio.

  2. Experimental observation of both negative and positive phase velocities in a two-dimensional sonic crystal

    International Nuclear Information System (INIS)

    Lu, Ming-Hui; Feng, Liang; Liu, Xiao-Ping; Liu, Xiao-Kang; Chen, Yan-Feng; Zhu, Yong-Yuan; Mao, Yi-Wei; Zi, Jian

    2007-01-01

    Both negative and positive phase velocities for acoustic waves have been experimentally established in a two-dimensional triangular sonic crystal (SC) consisting of steel cylinders embedded in air at first. With the increase of the SCs thickness layer by layer in the experiments, phase shifts decrease in the second band but increase in the first band, showing the negative and the positive phase velocities, respectively. Moreover, the dispersion relation of the SC is constructed by the phase information, which is consistent well with the theoretical results. These abundant characteristics of acoustic wave propagation in the SC might be useful for the device applications

  3. Electronic properties and phase transitions in low-dimensional semiconductors

    International Nuclear Information System (INIS)

    Panich, A M

    2008-01-01

    We present the first review of the current state of the literature on electronic properties and phase transitions in TlX and TlMX 2 (M = Ga, In; X = Se, S, Te) compounds. These chalcogenides belong to a family of the low-dimensional semiconductors possessing chain or layered structure. They are of significant interest because of their highly anisotropic properties, semi- and photoconductivity, nonlinear effects in their I-V characteristics (including a region of negative differential resistance), switching and memory effects, second harmonic optical generation, relaxor behavior and potential applications for optoelectronic devices. We review the crystal structure of TlX and TlMX 2 compounds, their transport properties under ambient conditions, experimental and theoretical studies of the electronic structure, transport properties and semiconductor-metal phase transitions under high pressure, and sequences of temperature-induced structural phase transitions with intermediate incommensurate states. The electronic nature of the ferroelectric phase transitions in the above-mentioned compounds, as well as relaxor behavior, nanodomains and possible occurrence of quantum dots in doped and irradiated crystals is discussed. (topical review)

  4. Direct observation of a non-isothermal crystallization process in precursor Li10GeP2S12 glass electrolyte

    Science.gov (United States)

    Tsukasaki, Hirofumi; Mori, Shigeo; Shiotani, Shinya; Yamamura, Hideyuki; Iba, Hideki

    2017-11-01

    Crystallization of a precursor Li10GeP2S12 (LGPS) glass electrolyte by heat treatment significantly improves its ionic conductivity. The LGPS crystalline phase obtained by heat treatment above 450 °C shows an ionic conductivity on the order of 10-2 S/cm. To clarify the correlation between the crystallization behavior of precursor LGPS glasses and ionic conductivity, we developed an observation technique to visualize precipitated nanocrystallites and a new method to evaluate the crystallization degree via transmission electron microscopy (TEM). In-situ TEM observation revealed that LGPS nanocrystallites precipitated above 450 °C and their size remained fundamentally intact during heating. That is, the crystallization behavior could be characterized by only the formation of LGPS nanocrystallites in an amorphous matrix. In addition, the crystallization degree was quantitatively evaluated from electron diffraction patterns. The crystallization degree remarkably increased at around 450 °C and reached more than 60% above 450 °C. Based on these results, a high ionic conductivity of approximately 1.0 × 10-2 S/cm was confirmed to be directly associated with the appearance of the LGPS crystalline phase.

  5. Atomically Phase-Matched Second-Harmonic Generation in a 2D Crystal

    Science.gov (United States)

    2016-08-26

    OPEN ORIGINAL ARTICLE Atomically phase-matched second-harmonic generation in a 2D crystal Mervin Zhao1,2,*, Ziliang Ye1,2,*, Ryuji Suzuki3,4,*, Yu...photoluminescence mapping, Raman spectroscopy and atomic -force microscopy. (b) Image produced via scanning and gathering the SH light produced by the 3R-MoS2...arising from a single atomic layer, where the SH light elucidated important information such as the grain boundaries and electronic structure in these ultra

  6. Realisation of four-wave mixing phase matching for frequency components at intracavity stimulated Raman scattering in a calcite crystal

    International Nuclear Information System (INIS)

    Smetanin, Sergei N; Fedin, Aleksandr V; Shurygin, Anton S

    2013-01-01

    The possibilities of implementing four-wave mixing (FWM) phase matching at stimulated Raman scattering (SRS) in a birefringent SRS-active crystal placed in a cavity with highly reflecting mirrors have been theoretically and experimentally investigated. Phase-matching angles providing conditions for five types of phase matching are determined for a calcite crystal. These types are characterised by different combinations of polarisation directions for the interacting waves and ensure FWM generation of either an anti-Stokes wave or the second Stokes SRS component. In agreement with the calculation results, low-threshold generation of the second Stokes SRS component with a wavelength 0.602 μm was observed at angles of incidence on a calcite crystal of 4.8° and 18.2°, under SRS pumping at a wavelength of 0.532 μm. This generation is due to the FWM coupling of the first and second Stokes SRS components with the SRS-pump wave. (nonlinear optical phenomena)

  7. Synthesis and Exfoliation of Discotic Zirconium Phosphates to Obtain Colloidal Liquid Crystals

    Science.gov (United States)

    Yu, Yi-Hsien; Wang, Xuezhen; Shinde, Abhijeet; Cheng, Zhengdong

    2016-01-01

    Due to their abundance in natural clay and potential applications in advanced materials, discotic nanoparticles are of interest to scientists and engineers. Growth of such anisotropic nanocrystals through a simple chemical method is a challenging task. In this study, we fabricate discotic nanodisks of zirconium phosphate [Zr(HPO4)2·H2O] as a model material using hydrothermal, reflux and microwave-assisted methods. Growth of crystals is controlled by duration time, temperature, and concentration of reacting species. The novelty of the adopted methods is that discotic crystals of size ranging from hundred nanometers to few micrometers can be obtained while keeping the polydispersity well within control. The layered discotic crystals are converted to monolayers by exfoliation with tetra-(n)-butyl ammonium hydroxide [(C4H9)4NOH, TBAOH]. Exfoliated disks show isotropic and nematic liquid crystal phases. Size and polydispersity of disk suspensions is highly important in deciding their phase behavior. PMID:27284765

  8. Magnetic phase transitions in Er7Rh3 studied on single crystals

    International Nuclear Information System (INIS)

    Tsutaoka, Takanori; Obata, Keisuke; Cheyvuth, Seng; Koyama, Keiichi

    2014-01-01

    Highlights: • Magnetic and electrical properties of Er 7 Rh 3 were studied on single crystals. • The magnetic phase diagram along the c-axis was constructed. • The field-induced magnetic transitions in Er 7 Rh 3 can be explained by the magnetic structure with two magnetic propagation vectors. • The anomalies of electrical resistivity can also be described by the magnetic structure in Er 7 Rh 3 . - Abstract: Magnetic phase transitions in Er 7 Rh 3 with the Th 7 Fe 3 type hexagonal structure have been studied on single crystals by measuring magnetization, magnetic susceptibility and electrical resistivity. Er 7 Rh 3 possesses antiferromagnetic state below T N = 13 K. In the ordered state, the two successive magnetic transitions at T t1 = 6.2 K and T t2 = 4.5 K were observed. Several field-induced magnetic transitions were also observed along the a- and c-axes below T N ; magnetic field H – temperature T phase diagram along the c-axis was constructed. The field-induced magnetic transitions in Er 7 Rh 3 can be explained by the magnetic structure with two magnetic propagation vectors which were derived by the previous neutron diffraction studies. Electrical resistivity shows humps just below the magnetic transition temperatures, T N and T t1 due to the super-zone gap formation at the Fermi level; these anomalies can also be described by the magnetic structure changes in Er 7 Rh 3

  9. Phase behavior, rheological characteristics and microstructure of sodium caseinate-Persian gum system.

    Science.gov (United States)

    Sadeghi, Farzad; Kadkhodaee, Rassoul; Emadzadeh, Bahareh; Phillips, Glyn O

    2018-01-01

    In this study, the phase behavior of sodium caseinate-Persian gum mixtures was investigated. The effect of thermodynamic incompatibility on phase distribution of sodium caseinate fractions as well as the flow behavior and microstructure of the biopolymer mixtures were also studied. The phase diagram clearly demonstrated the dominant effect of Persian gum on the incompatibility of the two biopolymers. SDS-PAGE electrophoresis indicated no selective fractionation of sodium caseinate subunits between equilibrium phases upon de-mixing. The microstructure of mixtures significantly changed depending on their position within the phase diagram. Fitting viscometric data to Cross and Bingham models revealed that the apparent viscosity, relaxation time and shear thinning behavior of the mixtures is greatly influenced by the volume ratio and concentration of the equilibrium phases. There is a strong dependence of the flow behavior of sodium caseinate-Persian gum mixtures on the composition of the equilibrium phases and the corresponding microstructure of the system. Copyright © 2017. Published by Elsevier Ltd.

  10. Solidification behaviors of a single-crystal superalloy under lateral constraints

    International Nuclear Information System (INIS)

    Zhuangqi Hu; Huaming Wang

    1993-01-01

    The effect of lateral constraints ahead of solidification interface on the solidification behaviors of a newly developed hot corrosion resistant single-crystal nickel-base superalloy was investigated under commercial single-crystal production conditions. The lateral constraints or section variations ahead of solidification front were found to have drastic influences both on the modes of solidification and the profiles of solute segregation. As lateral constraints were imposed ahead of the directionally solidifying interface, the solidification microstructure of the single-crystal superalloy changed suddenly, through a γ/γ' eutectic-free zone which is characterized by an extremely-fine and highly-developed dendrite network, from the original well-branched dendritic structure to a fine cellular-dendrite or regular cell structure, accompanying which the primary arm spacing, the severity of segregation and the amount of microporosity decreased remarkably. The newly formed cellular dendrite or cell structure transforms always gradually to the initial coarse dendrite structure as the lateral constraint is finally released whether gradually or sharply. Moreover, an abnormal porosity zone was readily observed in the initial section beneath and away from the eutectic-free zone. The solidification microstructural changes were attributed to the drastic dynamical changes in local solidification cooling conditions and in momentum transport during solidification due to the presence of lateral constraint

  11. A comprehensive review of the lipid cubic phase or in meso method for crystallizing membrane and soluble proteins and complexes

    International Nuclear Information System (INIS)

    Caffrey, Martin

    2015-01-01

    A comprehensive and up-to-date review of the lipid cubic phase or in meso method for crystallizing membrane and soluble proteins and complexes is reported. Recent applications of the method for in situ serial crystallography at X-ray free-electron lasers and synchrotrons are described. The lipid cubic phase or in meso method is a robust approach for crystallizing membrane proteins for structure determination. The uptake of the method is such that it is experiencing what can only be described as explosive growth. This timely, comprehensive and up-to-date review introduces the reader to the practice of in meso crystallogenesis, to the associated challenges and to their solutions. A model of how crystallization comes about mechanistically is presented for a more rational approach to crystallization. The possible involvement of the lamellar and inverted hexagonal phases in crystallogenesis and the application of the method to water-soluble, monotopic and lipid-anchored proteins are addressed. How to set up trials manually and automatically with a robot is introduced with reference to open-access online videos that provide a practical guide to all aspects of the method. These range from protein reconstitution to crystal harvesting from the hosting mesophase, which is noted for its viscosity and stickiness. The sponge phase, as an alternative medium in which to perform crystallization, is described. The compatibility of the method with additive lipids, detergents, precipitant-screen components and materials carried along with the protein such as denaturants and reducing agents is considered. The powerful host and additive lipid-screening strategies are described along with how samples that have low protein concentration and cell-free expressed protein can be used. Assaying the protein reconstituted in the bilayer of the cubic phase for function is an important element of quality control and is detailed. Host lipid design for crystallization at low temperatures and for

  12. A comprehensive review of the lipid cubic phase or in meso method for crystallizing membrane and soluble proteins and complexes

    Energy Technology Data Exchange (ETDEWEB)

    Caffrey, Martin, E-mail: martin.caffrey@tcd.ie [Trinity College Dublin, Dublin (Ireland)

    2015-01-01

    A comprehensive and up-to-date review of the lipid cubic phase or in meso method for crystallizing membrane and soluble proteins and complexes is reported. Recent applications of the method for in situ serial crystallography at X-ray free-electron lasers and synchrotrons are described. The lipid cubic phase or in meso method is a robust approach for crystallizing membrane proteins for structure determination. The uptake of the method is such that it is experiencing what can only be described as explosive growth. This timely, comprehensive and up-to-date review introduces the reader to the practice of in meso crystallogenesis, to the associated challenges and to their solutions. A model of how crystallization comes about mechanistically is presented for a more rational approach to crystallization. The possible involvement of the lamellar and inverted hexagonal phases in crystallogenesis and the application of the method to water-soluble, monotopic and lipid-anchored proteins are addressed. How to set up trials manually and automatically with a robot is introduced with reference to open-access online videos that provide a practical guide to all aspects of the method. These range from protein reconstitution to crystal harvesting from the hosting mesophase, which is noted for its viscosity and stickiness. The sponge phase, as an alternative medium in which to perform crystallization, is described. The compatibility of the method with additive lipids, detergents, precipitant-screen components and materials carried along with the protein such as denaturants and reducing agents is considered. The powerful host and additive lipid-screening strategies are described along with how samples that have low protein concentration and cell-free expressed protein can be used. Assaying the protein reconstituted in the bilayer of the cubic phase for function is an important element of quality control and is detailed. Host lipid design for crystallization at low temperatures and for

  13. Crystallization behaviors of Zr-Ti-Cu-Ni-Be BMG sheet fabricated by squeeze-casting method and its micro-scaled forming

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, H.G. [Advanced Fusion Process Group, Production Technology R and D Department, Korea Institute of Industrial Technology, Incheon (Korea, Republic of); Lee, J.B., E-mail: ljb01@kitech.re.kr [Advanced Fusion Process Group, Production Technology R and D Department, Korea Institute of Industrial Technology, Incheon (Korea, Republic of)

    2012-09-25

    Highlights: Black-Right-Pointing-Pointer Compressibility and formability of Zr{sub 62.6}Ti{sub 11}Cu{sub 13.2}Ni{sub 9.8}Be{sub 3.4} BMG sheets increases with an increase in forging temperature and pressure. Black-Right-Pointing-Pointer Crystallization in the alloy BMG sheet began to occur during micro-scaled forming. Black-Right-Pointing-Pointer The volume fraction of crystalline phase increases as the forging temperature and pressure increase. - Abstract: We report the micro-scaled forming of Zr{sub 62.6}Ti{sub 11}Cu{sub 13.2}Ni{sub 9.8}Be{sub 3.4} bulk metallic glass (BMG) as a function of the forging pressure within super-cooled liquid region (SLR), and its effects on the transition to crystallization. The morphology after micro-scaled forming was examined by using a field emission scanning electron microscope (FE-SEM). Thermal behavior of the forged samples was analyzed by using a differential scanning calorimeter (DSC). It was found for perfect forming of the alloy BMG sheets that the temperature of 703 K and the pressure of 20 MPa are required in the present study. The compressibility and the volume fraction of crystalline phase increase with an increase of the forging pressure and temperature, and they are sensitive to temperature more than pressure within SLR.

  14. Controlling block copolymer phase behavior using ionic surfactant

    Energy Technology Data Exchange (ETDEWEB)

    Ray, D.; Aswal, V. K. [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085, India E-mail: debes.phys@gmail.com (India)

    2016-05-23

    The phase behavior of poly(ethylene oxide)-poly(propylene oxide-poly(ethylene oxide) PEO-PPO-PEO triblock copolymer [P85 (EO{sub 26}PO{sub 39}EO{sub 26})] in presence of anionic surfactant sodium dodecyl sulfate (SDS) in aqueous solution as a function of temperature has been studied using dynamic light scattering (DLS) and small-angle neutron scattering (SANS). The measurements have been carried out for fixed concentrations (1 wt%) of block copolymer and surfactants. Each of the individual components (block copolymer and surfactant) and the nanoparticle–surfactant mixed system have been examined at varying temperature. The block copolymer P85 forms spherical micelles at room temperature whereas shows sphere-to-rod like micelle transition at higher temperatures. On the other hand, SDS surfactant forms ellipsoidal micelles over a wide temperature range. Interestingly, it is found that phase behavior of mixed micellar system (P85 + SDS) as a function of temperature is drastically different from that of P85, giving the control over the temperature-dependent phase behavior of block copolymers.

  15. Precipitation behavior and effect of new precipitated β phase in AZ80 magnesium alloy

    Institute of Scientific and Technical Information of China (English)

    TANG Wei; HAN En-hou; XU Yong-bo; LIU Lu

    2006-01-01

    Granular precipitate that was a new kind of β-Mg17Al12 phase found in aged AZ80 wrought Mg alloy at all aging temperature was studied. The structure and precipitation behavior of this granular β-Mg17Al12 precipitate were studied by environmental scanning electron microscopy (ESEM) and transmission electron microscopy (TEM). The effect of the granular precipitate on mechanical properties of AZ80 alloy was also studied. The new precipitate that was granular and nucleated both on grain boundaries (GBs) and twin boundaries, has the same crystal structure and lattice parameter as those of the continuous or discontinuous precipitated β-Mg17Al12. And the nucleation and growth of the granular precipitate are faster than those of the other two precipitates at higher temperatures (above 583 K), but are suppressed at lower temperatures (below 423 K). At lower temperatures, the discontinuous β-Mg17Al12 precipitates firstly and the granular β-Mg17Al12 precipitates after aged more than 40 h. The crack is easily nucleated on the phase boundaries of granular phase and matrix because of the weak binding force. As a result, the strength and ductility of AZ80 Mg alloy are decreased by the granular β-Mg17Al12 precipitate.

  16. Classical nucleation theory in the phase-field crystal model.

    Science.gov (United States)

    Jreidini, Paul; Kocher, Gabriel; Provatas, Nikolas

    2018-04-01

    A full understanding of polycrystalline materials requires studying the process of nucleation, a thermally activated phase transition that typically occurs at atomistic scales. The numerical modeling of this process is problematic for traditional numerical techniques: commonly used phase-field methods' resolution does not extend to the atomic scales at which nucleation takes places, while atomistic methods such as molecular dynamics are incapable of scaling to the mesoscale regime where late-stage growth and structure formation takes place following earlier nucleation. Consequently, it is of interest to examine nucleation in the more recently proposed phase-field crystal (PFC) model, which attempts to bridge the atomic and mesoscale regimes in microstructure simulations. In this work, we numerically calculate homogeneous liquid-to-solid nucleation rates and incubation times in the simplest version of the PFC model, for various parameter choices. We show that the model naturally exhibits qualitative agreement with the predictions of classical nucleation theory (CNT) despite a lack of some explicit atomistic features presumed in CNT. We also examine the early appearance of lattice structure in nucleating grains, finding disagreement with some basic assumptions of CNT. We then argue that a quantitatively correct nucleation theory for the PFC model would require extending CNT to a multivariable theory.

  17. Classical nucleation theory in the phase-field crystal model

    Science.gov (United States)

    Jreidini, Paul; Kocher, Gabriel; Provatas, Nikolas

    2018-04-01

    A full understanding of polycrystalline materials requires studying the process of nucleation, a thermally activated phase transition that typically occurs at atomistic scales. The numerical modeling of this process is problematic for traditional numerical techniques: commonly used phase-field methods' resolution does not extend to the atomic scales at which nucleation takes places, while atomistic methods such as molecular dynamics are incapable of scaling to the mesoscale regime where late-stage growth and structure formation takes place following earlier nucleation. Consequently, it is of interest to examine nucleation in the more recently proposed phase-field crystal (PFC) model, which attempts to bridge the atomic and mesoscale regimes in microstructure simulations. In this work, we numerically calculate homogeneous liquid-to-solid nucleation rates and incubation times in the simplest version of the PFC model, for various parameter choices. We show that the model naturally exhibits qualitative agreement with the predictions of classical nucleation theory (CNT) despite a lack of some explicit atomistic features presumed in CNT. We also examine the early appearance of lattice structure in nucleating grains, finding disagreement with some basic assumptions of CNT. We then argue that a quantitatively correct nucleation theory for the PFC model would require extending CNT to a multivariable theory.

  18. Visualization of membrane protein crystals in lipid cubic phase using X-ray imaging.

    Science.gov (United States)

    Warren, Anna J; Armour, Wes; Axford, Danny; Basham, Mark; Connolley, Thomas; Hall, David R; Horrell, Sam; McAuley, Katherine E; Mykhaylyk, Vitaliy; Wagner, Armin; Evans, Gwyndaf

    2013-07-01

    The focus in macromolecular crystallography is moving towards even more challenging target proteins that often crystallize on much smaller scales and are frequently mounted in opaque or highly refractive materials. It is therefore essential that X-ray beamline technology develops in parallel to accommodate such difficult samples. In this paper, the use of X-ray microradiography and microtomography is reported as a tool for crystal visualization, location and characterization on the macromolecular crystallography beamlines at the Diamond Light Source. The technique is particularly useful for microcrystals and for crystals mounted in opaque materials such as lipid cubic phase. X-ray diffraction raster scanning can be used in combination with radiography to allow informed decision-making at the beamline prior to diffraction data collection. It is demonstrated that the X-ray dose required for a full tomography measurement is similar to that for a diffraction grid-scan, but for sample location and shape estimation alone just a few radiographic projections may be required.

  19. Critical points in the Bragg glass phase of a weakly pinned crystal of ...

    Indian Academy of Sciences (India)

    the dynamical annealing of the disordered bundles of vortices injected through the sample edges towards the destined ... weakly pinned crystals of the systems like, 2H-NbSe2 and the cubic (C15) CeRu2. [12]. ... systems. This in turn im- ..... We show in figure 6 an updated version of the vortex phase diagram in the given.

  20. Multiphase, multicomponent phase behavior prediction

    Science.gov (United States)

    Dadmohammadi, Younas

    Accurate prediction of phase behavior of fluid mixtures in the chemical industry is essential for designing and operating a multitude of processes. Reliable generalized predictions of phase equilibrium properties, such as pressure, temperature, and phase compositions offer an attractive alternative to costly and time consuming experimental measurements. The main purpose of this work was to assess the efficacy of recently generalized activity coefficient models based on binary experimental data to (a) predict binary and ternary vapor-liquid equilibrium systems, and (b) characterize liquid-liquid equilibrium systems. These studies were completed using a diverse binary VLE database consisting of 916 binary and 86 ternary systems involving 140 compounds belonging to 31 chemical classes. Specifically the following tasks were undertaken: First, a comprehensive assessment of the two common approaches (gamma-phi (gamma-ϕ) and phi-phi (ϕ-ϕ)) used for determining the phase behavior of vapor-liquid equilibrium systems is presented. Both the representation and predictive capabilities of these two approaches were examined, as delineated form internal and external consistency tests of 916 binary systems. For the purpose, the universal quasi-chemical (UNIQUAC) model and the Peng-Robinson (PR) equation of state (EOS) were used in this assessment. Second, the efficacy of recently developed generalized UNIQUAC and the nonrandom two-liquid (NRTL) for predicting multicomponent VLE systems were investigated. Third, the abilities of recently modified NRTL model (mNRTL2 and mNRTL1) to characterize liquid-liquid equilibria (LLE) phase conditions and attributes, including phase stability, miscibility, and consolute point coordinates, were assessed. The results of this work indicate that the ϕ-ϕ approach represents the binary VLE systems considered within three times the error of the gamma-ϕ approach. A similar trend was observed for the for the generalized model predictions using

  1. Liquid crystal alignment in electro-responsive nanostructured thermosetting materials based on block copolymer dispersed liquid crystal

    Energy Technology Data Exchange (ETDEWEB)

    Tercjak, A; Garcia, I; Mondragon, I [Materials-Technologies Group, Departamento IngenierIa Quimica y M Ambiente, Escuela Politecnica, Universidad PaIs Vasco/Euskal Herriko Unibertsitatea, Plaza Europa 1, E-20018 Donostia-San Sebastian (Spain)], E-mail: scptesza@sc.ehu.es, E-mail: inaki.mondragon@ehu.es

    2008-07-09

    Novel well-defined nanostructured thermosetting systems were prepared by modification of a diglicydylether of bisphenol-A epoxy resin (DGEBA) with 10 or 15 wt% amphiphilic poly(styrene-b-ethylene oxide) block copolymer (PSEO) and 30 or 40 wt% low molecular weight liquid crystal 4'-(hexyl)-4-biphenyl-carbonitrile (HBC) using m-xylylenediamine (MXDA) as a curing agent. The competition between well-defined nanostructured materials and the ability for alignment of the liquid crystal phase in the materials obtained has been studied by atomic and electrostatic force microscopy, AFM and EFM, respectively. Based on our knowledge, this is the first time that addition of an adequate amount (10 wt%) of a block copolymer to 40 wt% HBC-(DGEBA/MXDA) leads to a well-organized nanostructured thermosetting system (between a hexagonal and worm-like ordered structure), which is also electro-responsive with high rate contrast. This behavior was confirmed using electrostatic force microscopy (EFM), by means of the response of the HBC liquid crystal phase to the voltage applied to the EFM tip. In contrast, though materials containing 15 wt% PSEO and 30 wt% HBC also form a well-defined nanostructured thermosetting system, they do not show such a high contrast between the uncharged and charged surface.

  2. Liquid crystal alignment in electro-responsive nanostructured thermosetting materials based on block copolymer dispersed liquid crystal.

    Science.gov (United States)

    Tercjak, A; Garcia, I; Mondragon, I

    2008-07-09

    Novel well-defined nanostructured thermosetting systems were prepared by modification of a diglicydylether of bisphenol-A epoxy resin (DGEBA) with 10 or 15 wt% amphiphilic poly(styrene-b-ethylene oxide) block copolymer (PSEO) and 30 or 40 wt% low molecular weight liquid crystal 4'-(hexyl)-4-biphenyl-carbonitrile (HBC) using m-xylylenediamine (MXDA) as a curing agent. The competition between well-defined nanostructured materials and the ability for alignment of the liquid crystal phase in the materials obtained has been studied by atomic and electrostatic force microscopy, AFM and EFM, respectively. Based on our knowledge, this is the first time that addition of an adequate amount (10 wt%) of a block copolymer to 40 wt% HBC-(DGEBA/MXDA) leads to a well-organized nanostructured thermosetting system (between a hexagonal and worm-like ordered structure), which is also electro-responsive with high rate contrast. This behavior was confirmed using electrostatic force microscopy (EFM), by means of the response of the HBC liquid crystal phase to the voltage applied to the EFM tip. In contrast, though materials containing 15 wt% PSEO and 30 wt% HBC also form a well-defined nanostructured thermosetting system, they do not show such a high contrast between the uncharged and charged surface.

  3. Liquid crystal alignment in electro-responsive nanostructured thermosetting materials based on block copolymer dispersed liquid crystal

    International Nuclear Information System (INIS)

    Tercjak, A; Garcia, I; Mondragon, I

    2008-01-01

    Novel well-defined nanostructured thermosetting systems were prepared by modification of a diglicydylether of bisphenol-A epoxy resin (DGEBA) with 10 or 15 wt% amphiphilic poly(styrene-b-ethylene oxide) block copolymer (PSEO) and 30 or 40 wt% low molecular weight liquid crystal 4'-(hexyl)-4-biphenyl-carbonitrile (HBC) using m-xylylenediamine (MXDA) as a curing agent. The competition between well-defined nanostructured materials and the ability for alignment of the liquid crystal phase in the materials obtained has been studied by atomic and electrostatic force microscopy, AFM and EFM, respectively. Based on our knowledge, this is the first time that addition of an adequate amount (10 wt%) of a block copolymer to 40 wt% HBC-(DGEBA/MXDA) leads to a well-organized nanostructured thermosetting system (between a hexagonal and worm-like ordered structure), which is also electro-responsive with high rate contrast. This behavior was confirmed using electrostatic force microscopy (EFM), by means of the response of the HBC liquid crystal phase to the voltage applied to the EFM tip. In contrast, though materials containing 15 wt% PSEO and 30 wt% HBC also form a well-defined nanostructured thermosetting system, they do not show such a high contrast between the uncharged and charged surface

  4. Phase transition sequence in ferroelectric Aurivillius compounds investigated by single crystal X-ray diffraction

    Science.gov (United States)

    Boullay, P.; Tellier, J.; Mercurio, D.; Manier, M.; Zuñiga, F. J.; Perez-Mato, J. M.

    2012-09-01

    The investigation of the phase transition sequence in SrBi2Ta2O9 (SBT) and SrBi2Nb2O9 (SBN) is reported using single-crystal X-ray diffraction. By monitoring specific reflections as a function of temperature, sensitive either to the superstructure formation or to polar displacements, it was possible to check the existence or not of an intermediate phase. This latter was confirmed in SBT, but within experimental accuracy could not be detected in SBN.

  5. Silumins alloy crystallization

    Directory of Open Access Journals (Sweden)

    S. Pietrowski

    2009-07-01

    Full Text Available This paper presents the results of research, by ATD method, of hypo-, near- and hyperutectic silumins crystallization containing the following alloying additives: Mg, Ni, Cu, Cr, Mo, W, V. It has been shown that, depending on their concentration may crystallize pre-eutectic or eutectic multicomponent phases containing these alloy additives. It has been revealed that any subsequent crystallizable phase nucleate and grows near the liquid/former crystallized phase interface. In multiphases compound also falls the silicon, resulting in a reduction in its quantity and the fragmentation in the eutectic mixture. As a result, it gets a high hardness of silumins in terms of 110-220HB.

  6. Surface phase separation, dewetting feature size, and crystal morphology in thin films of polystyrene/poly(ε-caprolactone) blend.

    Science.gov (United States)

    Ma, Meng; He, Zhoukun; Li, Yuhan; Chen, Feng; Wang, Ke; Zhang, Qing; Deng, Hua; Fu, Qiang

    2012-12-01

    Thin films of polystyrene (PS)/poly(ε-caprolactone) (PCL) blends were prepared by spin-coating and characterized by tapping mode force microscopy (AFM). Effects of the relative concentration of PS in polymer solution on the surface phase separation and dewetting feature size of the blend films were systematically studied. Due to the coupling of phase separation, dewetting, and crystallization of the blend films with the evaporation of solvent during spin-coating, different size of PS islands decorated with various PCL crystal structures including spherulite-like, flat-on individual lamellae, and flat-on dendritic crystal were obtained in the blend films by changing the film composition. The average distance of PS islands was shown to increase with the relative concentration of PS in casting solution. For a given ratio of PS/PCL, the feature size of PS appeared to increase linearly with the square of PS concentration while the PCL concentration only determined the crystal morphology of the blend films with no influence on the upper PS domain features. This is explained in terms of vertical phase separation and spinodal dewetting of the PS rich layer from the underlying PCL rich layer, leading to the upper PS dewetting process and the underlying PCL crystalline process to be mutually independent. Copyright © 2012 Elsevier Inc. All rights reserved.

  7. Experimental Plan for Crystal Accumulation Studies in the WTP Melter Riser

    Energy Technology Data Exchange (ETDEWEB)

    Miller, D. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Fowley, M. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2015-04-28

    This experimental plan defines crystal settling experiments to be in support of the U.S. Department of Energy – Office of River Protection crystal tolerant glass program. The road map for development of crystal-tolerant high level waste glasses recommends that fluid dynamic modeling be used to better understand the accumulation of crystals in the melter riser and mechanisms of removal. A full-scale version of the Hanford Waste Treatment and Immobilization Plant (WTP) melter riser constructed with transparent material will be used to provide data in support of model development. The system will also provide a platform to demonstrate mitigation or recovery strategies in off-normal events where crystal accumulation impedes melter operation. Test conditions and material properties will be chosen to provide results over a variety of parameters, which can be used to guide validation experiments with the Research Scale Melter at the Pacific Northwest National Laboratory, and that will ultimately lead to the development of a process control strategy for the full scale WTP melter. The experiments described in this plan are divided into two phases. Bench scale tests will be used in Phase 1 (using the appropriate solid and fluid simulants to represent molten glass and spinel crystals) to verify the detection methods and analytical measurements prior to their use in a larger scale system. In Phase 2, a full scale, room temperature mockup of the WTP melter riser will be fabricated. The mockup will provide dynamic measurements of flow conditions, including resistance to pouring, as well as allow visual observation of crystal accumulation behavior.

  8. Single Crystal Piezoelectric Stack Actuator DM with Integrated Low-Power HVA-Based Driver ASIC, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This SBIR Phase I project aims to develop an innovative batch fabrication technique to create single crystal PMN-PT stack actuator deformable mirrors (DM) at low...

  9. Lubricating and Waxy Esters. VI. Effect of Symmetry about Ester on Crystallization of Linear Monoester Isomers

    Directory of Open Access Journals (Sweden)

    Laziz Bouzidi

    2014-08-01

    Full Text Available The crystal structure development of jojoba-like esters incorporating either 1-decenoic acid and/or 1-decenol, namely octadec-9-enyl dec-9-enoate (JLE-281, and its isomer dec-9-enyl oleate (JLE-282 was investigated to reveal the effect of symmetry about the ester group on crystallization of aliphatic fatty monoesters. The phase transformation path was investigated with temperature-time resolved X-ray diffraction during stepped isothermal crystallization, and while cooling from the melt at a fixed rate. Startling differences in phase behavior were uncovered between the isomers. When stepped isothermals were used, selective extinctions occurred at a transition temperature for JLE-281 but not for JLE-282. The extinctions, which are due to dramatic changes in the electronic density of certain families of planes, indicate a phase transition attributed to a brusque rearrangement of the oxygen atoms in the crystal subcell. The phase transition did not occur when the JLEs were cooled continuously. The crucial role played by the position of the alkyl chain and its orientation relative to the easy rotation site of the C–O bond in the phase trajectories of the JLEs was particularly highlighted.

  10. Effect of Y addition on crystallization behavior and soft-magnetic properties of Fe{sub 78}Si{sub 9}B{sub 13} ribbons

    Energy Technology Data Exchange (ETDEWEB)

    Zhanwei, Liu; Dunbo, Yu, E-mail: yudb2008@126.com; Kuoshe, Li; Yang, Luo; Chao, Yuan; Zilong, Wang; Liang, Sun; Kuo, Men

    2017-08-15

    Highlights: • Thermal stability of Fe-Si-B amorphous alloy is enhanced by Y addition. • Y addition can improve soft magnetic properties of Fe-Si-B amorphous alloy. • Decomposition of metastable Fe{sub 3}B phase is related to Y content in Fe-Si-B matrix. - Abstract: A series of amorphous Fe-Si-B ribbons with various Y addition were prepared by melt-spinning. The effect of Y addition on crystallization behavior, thermal and magnetic properties was systematically investigated. With the increase of Y content, the initial crystallization temperature shifted to a higher temperature, indicating that the thermal stability of amorphous state in Fe-Si-B-Y ribbon is enhanced compared to that of Fe-Si-B alloy. Meanwhile, compared to the two exothermic peaks in the samples with lower Y content, a new exothermic peak was found in the ribbons with Y content higher than 1 at%, which corresponded to the decomposition of metastable Fe{sub 3}B phase. Among all the alloys, Fe{sub 76.5}Si{sub 9}B{sub 13}Y{sub 1.5} alloy exhibits optimized magnetic properties, with high saturation magnetization M{sub s} of 187 emu/g and low coercivity H{sub cJ} of 7.6 A/m.

  11. Dynamic phase transition in the kinetic spin-1 Blume-Capel model: Phase diagrams in the temperature and crystal-field interaction plane

    International Nuclear Information System (INIS)

    Keskin, M.; Canko, O.; Temizer, U.

    2007-01-01

    Within a mean-field approach, the stationary states of the kinetic spin-1 Blume-Capel model in the presence of a time-dependent oscillating external magnetic field is studied. The Glauber-type stochastic dynamics is used to describe the time evolution of the system and obtain the mean-field dynamic equation of motion. The dynamic phase-transition points are calculated and phase diagrams are presented in the temperature and crystal-field interaction plane. According to the values of the magnetic field amplitude, three fundamental types of phase diagrams are found: One exhibits a dynamic tricritical point, while the other two exhibit a dynamic zero-temperature critical point

  12. Crystal structure across the β to α phase transition in thermoelectric Cu2−xSe

    Directory of Open Access Journals (Sweden)

    Espen Eikeland

    2017-07-01

    Full Text Available The crystal structure uniquely imparts the specific properties of a material, and thus provides the starting point for any quantitative understanding of thermoelectric properties. Cu2−xSe is an intensely studied high performing, non-toxic and cheap thermoelectric material, and here for the first time, the average structure of β-Cu2−xSe is reported based on analysis of multi-temperature single-crystal X-ray diffraction data. It consists of Se–Cu layers with additional copper between every alternate layer. The structural changes during the peculiar zT enhancing phase transition mainly consist of changes in the inter-layer distance coupled with subtle Cu migration. Just prior to the transition the structure exhibits strong negative thermal expansion due to the reordering of Cu atoms, when approached from low temperatures. The phase transition is fully reversible and group–subgroup symmetry relations are derived that relate the low-temperature β-phase to the high-temperature α-phase. Weak superstructure reflections are observed and a possible Cu ordering is proposed. The structural rearrangement may have a significant impact on the band structure and the Cu rearrangement may also be linked to an entropy increase. Both factors potentially contribute to the extraordinary zT enhancement across the phase transition.

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

    Directory of Open Access Journals (Sweden)

    Chul B. Park

    2009-12-01

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

  14. Raman spectroscopy study of the crystal - melt phase transition of lanthanum, cerium and neodymium trichlorides

    International Nuclear Information System (INIS)

    Zakir'yanova, I.D.; Salyulev, A.B.

    2007-01-01

    Systematic structural studies of crystalline (over a wide temperature range) and molten LaCl 3 , CeCl 3 , and NdCl 3 salts (near the crystal-melt phase transition temperature) are conducted employing Raman spectroscopy. A change in the trend of temperature dependences of characteristic frequencies is revealed in the pre-melting region of the compounds. This is attributed to an increase in the number of crystal defects due to weakening of a part of Ln-Cl bonds and decreasing of coordination number of chloride anions in the vicinity of rare earth cation [ru

  15. Structure, spectra and phase transition in p-nitroanilinium perchlorate crystal

    Energy Technology Data Exchange (ETDEWEB)

    Marchewka, M.K.; Drozd, M.; Pietraszko, A

    2003-07-25

    The first X-ray diffraction and vibrational spectroscopic analysis of a novel complex between p-nitroaniline and perchloric acid is reported. The structure was solved in 295 K. Room temperature powder infrared and Raman measurements for the p-nitroanilinium perchlorate (1:1) crystals were carried out. The vibrational spectra in the region of internal vibrations of ions corroborates the X-ray data which show that p-nitroaniline molecule is monoprotonated. DSC measurements on powder sample indicate the phase transition point at about 213 and 208 K for heating and cooling, respectively. No detectable signal was observed during powder test for second harmonic generation.

  16. In Situ Neutron Diffraction Analyzing Stress-Induced Phase Transformation and Martensite Elasticity in [001]-Oriented Co49Ni21Ga30 Shape Memory Alloy Single Crystals

    Science.gov (United States)

    Reul, A.; Lauhoff, C.; Krooß, P.; Gutmann, M. J.; Kadletz, P. M.; Chumlyakov, Y. I.; Niendorf, T.; Schmahl, W. W.

    2018-02-01

    Recent studies demonstrated excellent pseudoelastic behavior and cyclic stability under compressive loads in [001]-oriented Co-Ni-Ga high-temperature shape memory alloys (HT-SMAs). A narrow stress hysteresis was related to suppression of detwinning at RT and low defect formation during phase transformation due to the absence of a favorable slip system. Eventually, this behavior makes Co-Ni-Ga HT-SMAs promising candidates for several industrial applications. However, deformation behavior of Co-Ni-Ga has only been studied in the range of theoretical transformation strain in depth so far. Thus, the current study focuses not only on the activity of elementary deformation mechanisms in the pseudoelastic regime up to maximum theoretical transformation strains but far beyond. It is shown that the martensite phase is able to withstand about 5% elastic strain, which significantly increases the overall deformation capability of this alloy system. In situ neutron diffraction experiments were carried out using a newly installed testing setup on Co-Ni-Ga single crystals in order to reveal the nature of the stress-strain response seen in the deformation curves up to 10% macroscopic strain.

  17. Zinc oxide crystal whiskers as a novel sorbent for solid-phase extraction of flavonoids.

    Science.gov (United States)

    Wang, Licheng; Shangguan, Yangnan; Hou, Xiudan; Jia, Yong; Liu, Shujuan; Sun, Yingxin; Guo, Yong

    2017-08-15

    As a novel solid-phase extraction material, zinc oxide crystal whiskers were used to extract flavonoid compounds and showed good extraction abilities. X-ray diffraction, scanning electron microscopy with energy dispersive X-ray spectroscopy and surface area/pore volume characterized the sorbent. The zinc oxide was packed into a solid-phase extraction micro-column and its extraction ability was evaluated by four model flavonoid compounds. The sample loading and elution parameters were optimized and the zinc oxide based analytical method for flavonoids was established. It showed that the method has wide linearities from 1 to 150μg/L and low limits of detection at 0.25μg/L. The relative standard deviations of a single column repeatability and column to column reproducibility were less than 6.8% and 10.6%. Several real samples were analyzed by the established method and satisfactory results were obtained. The interactions between flavonoids and zinc oxide were calculated and proved to be from the Van der Waals' forces between the 4p and 5d orbitals from zinc atom and the neighboring π orbitals from flavonoid phenyl groups. Moreover, the zinc oxide crystal whiskers showed good stability and could be reused more than 50 times under the operation conditions. This work proves that the zinc oxide crystal whiskers are a good candidate for flavonoids enrichment. Copyright © 2017. Published by Elsevier B.V.

  18. Analyzing algorithms for nonlinear and spatially nonuniform phase shifts in the liquid crystal point diffraction interferometer. 1998 summer research program for high school juniors at the University of Rochester's Laboratory for Laser Energetics. Student research reports

    International Nuclear Information System (INIS)

    Jain, N.

    1999-03-01

    Phase-shifting interferometry has many advantages, and the phase shifting nature of the Liquid Crystal Point Diffraction Interferometer (LCPDI) promises to provide significant improvement over other current OMEGA wavefront sensors. However, while phase-shifting capabilities improve its accuracy as an interferometer, phase-shifting itself introduces errors. Phase-shifting algorithms are designed to eliminate certain types of phase-shift errors, and it is important to chose an algorithm that is best suited for use with the LCPDI. Using polarization microscopy, the authors have observed a correlation between LC alignment around the microsphere and fringe behavior. After designing a procedure to compare phase-shifting algorithms, they were able to predict the accuracy of two particular algorithms through computer modeling of device-specific phase shift-errors

  19. Twinning behavior in the Ti-5at.% Al single crystals during cyclic loading along [0001

    International Nuclear Information System (INIS)

    Xiao Lin

    2005-01-01

    Cyclic deformation behavior of Ti-5at.% Al single crystals subjected to pull-push cyclic load along [0001] crystallographic orientation was studied. A higher cyclic stress response was displayed in the Ti-5Al single crystal oriented for [0001] than that oriented for single prism slip. Optical microscopy and transmission electron microscopy examinations show that twinning is a dominant plastic deformation mode in the single crystals during cycling. Trace analysis of prepolished surfaces was used to identify the twin systems primarily responsible for deformation. The major twin type observed was {101-bar 2}, {112-bar 2}, {101-bar 1} and {112-bar 1}. slip was observed in the neighboring region of twins in the fatigued specimens. The activation of multiple twinning systems contributed to the higher cyclic saturation stress in Ti-5Al single crystals oriented for [0001

  20. Advanced Si solid phase crystallization for vertical channel in vertical NANDs

    Directory of Open Access Journals (Sweden)

    Sangsoo Lee

    2014-07-01

    Full Text Available The advanced solid phase crystallization (SPC method using the SiGe/Si bi-layer structure is proposed to obtain high-mobility poly-Si thin-film transistors in next generation vertical NAND (VNAND devices. During the SPC process, the top SiGe thin film acts as a selective nucleation layer to induce surface nucleation and equiaxial microstructure. Subsequently, this SiGe thin film microstructure is propagated to the underlying Si thin film by epitaxy-like growth. The initial nucleation at the SiGe surface was clearly observed by in situ transmission electron microscopy (TEM when heating up to 600 °C. The equiaxial microstructures of both SiGe nucleation and Si channel layers were shown in the crystallized bi-layer plan-view TEM measurements. Based on these experimental results, the large-grained and less-defective Si microstructure is expected to form near the channel region of each VNAND cell transistor, which may improve the electrical characteristics.

  1. Copper oxide content dependence of crystallization behavior, glass forming ability, glass stability and fragility of lithium borate glasses

    International Nuclear Information System (INIS)

    Soliman, A.A.; Kashif, I.

    2010-01-01

    Differential thermal analysis (DTA) and X-ray diffraction (XRD) have been employed to investigate the copper oxide content dependence of the glass transition temperatures data, activation energy for the glass transition E t , glass stability GS, fragility index Fi, the glass-forming ability (GFA) and crystallization behavior of {(100-x) mol% Li 2 B 4 O 7 -x mol% CuO} glass samples, where x=0-40 mol% CuO. From the dependence of the glass transition temperature T g on the heating rate β, the fragility, F i , and the activation energy, E t , have been calculated. It is seen that F i and E t are attained their minimum values at 0 x -T g , SCL region and the GS. The GFA has been investigated on the basis of Hruby parameter K H , which is a strong indicator of GFA, and the relaxation time. Results of GFA are in good agreement with the fragility index, F i , calculations indicating that {90Li 2 B 4 O 7 .10CuO} is the best glass former. The stronger glass forming ability has decreasing the fragility index. XRD result indicates that no fully amorphous samples but a mixture of crystalline and amorphous phases are formed in the samples containing x>25 mol% CuO and below it composed of glassy phase. Increasing the CuO content above 25 mol% helps the crystallization process, and thus promotes a distinct SCL region. XRD suggests the presence of micro-crystallites of remaining residual amorphous matrix by increasing the CuO content.

  2. Direct investigations on strain-induced cold crystallization behavior and structure evolutions in amorphous poly(lactic acid) with SAXS and WAXS measurements

    DEFF Research Database (Denmark)

    Zhou, Chengbo; Li, Hongfei; Zhang, Wenyang

    2016-01-01

    scanning calorimetry (DSC) measurements. The data obtained from the stretched samples within 70-90 degrees C showed that all of the formed crystals are disordered alpha' form with more compact chain packing than that of the cold crystallization. Upon stretching at 70 degrees C, the mesocrystal appears......Strain-induced cold crystallization behavior and structure evolution of amorphous poly(lactic acid) (PLA) stretched within 70-90 degrees C were investigated via in situ synchrotron small-angle X-ray scattering (SAXS) and wide-angle X-ray scattering (WAXS) measurements as well as differential...... in strain-induced crystallization behavior of amorphous PLA within 70-90 degrees C can be attributed to the competition between chain orientation caused by stretching and chain relaxation. It was proposed that the strain-induced mesocrystal/crystal and the lamellae are formed from the mesophase originally...

  3. Possible nucleation of a 2D superconducting phase on WO3 single crystals surface doped with Na+

    International Nuclear Information System (INIS)

    Reich, S.; Tsabba, Y.

    1999-01-01

    WO 3 crystals with a surface composition of Na 0.05 WO 3 were grown. These crystals exhibit a sharp diamagnetic step in magnetization at 91 K, and a magnetic hysteresis below this temperature. As the temperature is lowered below 100 K in transport measurements, a sharp metal to insulator transition is observed, this is followed by a sharp decrease in the resistivity when the temperature is lowered to about 90 K. When the surface of the crystals was covered by gold the depth of the diamagnetic step had decreased considerably. These results indicate a possible nucleation of a superconducting phase on the surface of these crystals. This is a non cuprate system exhibiting a critical temperature in the HTS range. (orig.)

  4. Shear induced structures in crystallizing cocoa butter

    Science.gov (United States)

    Mazzanti, Gianfranco; Guthrie, Sarah E.; Sirota, Eric B.; Marangoni, Alejandro G.; Idziak, Stefan H. J.

    2004-03-01

    Cocoa butter is the main structural component of chocolate and many cosmetics. It crystallizes in several polymorphs, called phases I to VI. We used Synchrotron X-ray diffraction to study the effect of shear on its crystallization. A previously unreported phase (phase X) was found and a crystallization path through phase IV under shear was observed. Samples were crystallized under shear from the melt in temperature controlled Couette cells, at final crystallization temperatures of 17.5^oC, 20^oC and 22.5^oC in Beamline X10A of NSLS. The formation of phase X was observed at low shear rates (90 s-1) and low crystallization temperature (17.5^oC), but was absent at high shear (720 s-1) and high temperature (20^oC). The d-spacing and melting point suggest that this new phase is a mixture rich on two of the three major components of cocoa butter. We also found that, contrary to previous reports, the transition from phase II to phase V can happen through the intermediate phase IV, at high shear rates and temperature.

  5. Crystallization of cristobalite from glass phase in mullite ceramics with excess SiO{sub 2} compositions; Sirika kajo muraito seramikkusu chu no garasuso no kesshoka kyodo

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Takashi; Sugai, Mikio; Nakagawa, Zenbee [Akita University, Akita (Japan). Faculty of Engineering and Resource Science; Sawabe, Yoshinari [Sumitomo Chemical Corp., Ibaraki (Japan). Tsukuba Research Laboratory; Oya, Yutaka [Gifu University, Gifu (Japan). Faculty of Engineering

    1999-09-01

    Crystallization of glass phase to cristobalite was investigated in mullite-glass ceramics with excess SiO{sub 2} compositions (5.3-16.4 mass %), namely, higher than stoichiometric mullite. Starting powders were prepared by alkoxide hydrolysis method. Compact specimens were sintered at 1600 degree C above the eutectic temperature (1587 degree C) for 2 h. Crystallization treatment was carried out at 1500 degree C, below the eutectic temperature, for times from 4 h to 96 h. Crystallization of glass phase proceeded from the surface of the specimen toward its inner part, in linear dependence on the annealing time. At the polished surface of the specimen, crystallization started in large glass pockets and the crystallized area extended spherically toward the inner part. This phenomenon suggests that nucleation occurs at the minimum parts in the elastic energy generated by the volume change involved in the crystallization of glass phase to cristobalite. (author)

  6. Can pharmaceutical co-crystals provide an opportunity to modify the biological properties of drugs?

    Science.gov (United States)

    Dalpiaz, Alessandro; Pavan, Barbara; Ferretti, Valeria

    2017-08-01

    Poorly soluble and/or permeable molecules jeopardize the discovery and development of innovative medicines. Pharmaceutical co-crystals, formed by an active pharmaceutical substance (API) and a co-crystal former, can show enhanced dissolution and permeation values compared with those of the parent crystalline pure phases. It is currently assumed that co-crystallization with pharmaceutical excipients does not affect the pharmacological activity of an API or, indeed, might even improve physical properties such as solubility and permeability. However, as we highlight here, the biological behavior of co-crystals can differ drastically with respect to that of their parent physical mixtures. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. Neutron diffraction study of crystal structures of deuterated glycinium phosphite in paraelectric and ferroelectric phases

    International Nuclear Information System (INIS)

    Machida, Mitsuo; Uchida, Hiroyuki; Ishibashi, Toku; Taniguchi, Hiroki; Komukae, Masaru; Osaka, Toshio; Koyano, Nobumitsu

    2004-01-01

    Crystal structure of deuterated glycinium phosphite was studied in the paraelectric (P) phase at 348 K and in the ferroelectric (F) phase at 223 K by means of the single crystal neutron diffraction. Deuteration rate is estimated to be 0.939 by the least-squares refinement. In the P phase, quasi-one-dimensional hydrogen bond chains are built by mutually linking the DPO 3 2- anions through two different types of hydrogen bonds with the bond angles of 179.2 and 171.6deg. Two independent deuterons within the hydrogen bonds forming the chains are disordered over two sites separated by 0.545 and 0.539A. In the F phase, they order at a position nearly equal to one of two sites related by the disorder in the P phase. With the ordering of the deuterons, the P-O bonds with covalently bonded deuteron elongate, and those without covalently bonded deuteron reduce their lengths to some extend from the values determined in the P phase. Two oxygens involved in the hydrogen bond with the bond angle 179.2deg exhibits especially large displacements in the F phase. This suggests strongly an importance of this hydrogen bond in the polarization appearance and in the ferroelectric transition. Comparison with results of non-deuterated salt indicates that only the hydrogen bonds forming the chains show significant isotope shift. In particular, the hydrogen bond with the bond angle 179.2deg exhibits the most pronounced shift on the angle parameter defined by the angle between the line connecting two sites of disordered proton or deuteron and the line connecting two oxygens involved in the hydrogen bond. (author)

  8. Induced Smectic X Phase Through Intermolecular Hydrogen-Bonded Liquid Crystals Formed Between Citric Acid and p- n-(Octyloxy)Benzoic Acid

    Science.gov (United States)

    Sundaram, S.; Subhasri, P.; Rajasekaran, T. R.; Jayaprakasam, R.; Senthil, T. S.; Vijayakumar, V. N.

    2017-08-01

    Hydrogen-bonded liquid crystal (HBLC) is synthesized from citric acid (CA) and 4-(octyloxy)benzoic acid (8OBA) with different mole ratios. Fourier transform infrared spectroscopy (FT-IR) confirms the presence of hydrogen bond between CA and 8OBA. Nuclear magnetic resonance (NMR) spectroscopic studies validate the intermolecular complementary, cyclic type of hydrogen bond, and molecular environment in the designed HBLC complex. Powder X-ray diffraction analysis reveals the monoclinic nature of liquid crystal complex in solid phase. Liquid crystal parameters such as phase transition temperature and enthalpy values for the corresponding mesogenic phases are investigated using a polarizing optical microscope (POM) and differential scanning calorimetry (DSC). It is observed that the change in chain length and steric hindrance while increasing the mole ratio in HBLC complex induces a new smectic X (Sm X) along with higher-order smectic G (Sm G) phases by quenching of smectic C (Sm C). From the experimental observations, induced Sm X phase has been identified as a finger print texture. Also, Sm G is a multi-colored mosaic texture in 1:1, 1:2, and 1:3 mol ratios. The optical tilt angle, thermal stability factor, and enhanced thermal span width of CA + 8OBA complex are discussed.

  9. Magnetostriction of Hexagonal HoMnO3 and YMnO3 Single Crystals

    Science.gov (United States)

    Pavlovskii, N. S.; Dubrovskii, A. A.; Nikitin, S. E.; Semenov, S. V.; Terent'ev, K. Yu.; Shaikhutdinov, K. A.

    2018-03-01

    We report on the magnetostriction of hexagonal HoMnO3 and YMnO3 single crystals in a wide range of applied magnetic fields (up to H = 14 T) at all possible combinations of the mutual orientations of magnetic field H and magnetostriction Δ L/L. The measured Δ L/L( H, T) data agree well with the magnetic phase diagram of the HoMnO3 single crystal reported previously by other authors. It is shown that the nonmonotonic behavior of magnetostriction of the HoMnO3 crystal is caused by the Ho3+ ion; the magnetic moment of the Mn3+ ion parallel to the hexagonal crystal axis. The anomalies established from the magnetostriction measurements of HoMnO3 are consistent with the phase diagram of these compounds. For the isostructural YMnO3 single crystal with a nonmagnetic rare-earth ion, the Δ L/L( H, T) dependences are described well by a conventional quadratic law in a wide temperature range (4-100 K). In addition, the magnetostriction effect is qualitatively estimated with regard to the effect of the crystal electric field on the holmium ion.

  10. Investigation of structural phase transition in strontium titanate single crystal by methods of generation of coherent and incoherent second optical harmonics

    International Nuclear Information System (INIS)

    Mishina, E.D.; Morozov, A.I.; Sigov, A.S.; Sherstyuk, N.Eh.; Aktsipetrov, O.A.; Lemanov, V.V.; Rasing, Th.

    2002-01-01

    The surface phase transition in the SrTiO 3 crystal is studied through the method of the second optical harmonic generation. The peculiarities in the nonlinear-optical response are identified at the temperature of T* = 145 K, which by 40 K exceeds the T c temperature of the structural phase transition in the crystal volume. The phenomenon of the nonlinear critical opalescence, caused by availability of the point defects, is studied. The second harmonic field and critical opalescence intensity are calculated on the basis of the phenomenological model of the nonlinear-optical processes with application of the Landau phase transition theory [ru

  11. Mesoscale martensitic transformation in single crystals of topological defects

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xiao; Martínez-González, José A.; Hernández-Ortiz, Juan P.; Ramírez-Hernández, Abelardo; Zhou, Ye; Sadati, Monirosadat; Zhang, Rui; Nealey, Paul F.; de Pablo, Juan J.

    2017-09-05

    Liquid crystal blue phases (BPs) are highly ordered at two levels. Molecules exhibit orientational order at nanometer length scales, while chirality leads to ordered arrays of doubletwisted cylinders over micrometer scales. Past studies of polycrystalline BPs were challenged by grain boundaries between randomly oriented crystalline nanodomains. Here, the nucleation of BPs is controlled with considerable precision by relying on chemically nano-patterned surfaces, leading to macroscopic single-crystal BP specimens where the dynamics of meso-crystal formation can be directly observed. Theory and experiments show that transitions between two BPs having a different network structure proceed through local re-organization of the crystalline array, without diffusion of the double twisted cylinders. In solid crystals, martensitic transformations between crystal structures involve the concerted motion of a few atoms, without diffusion. The transformation between BPs, where crystal features arise in the sub-micron regime, is found to be martensitic in nature, with the diffusion-less feature associated to the collective behavior of the double twist cylinders. Single-crystal BPs are shown to offer fertile grounds for the study of directed crystal-nucleation and the controlled growth of soft matter.

  12. Crystallization and unusual rheological behavior in poly(ethylene oxide)–clay nanocomposites

    KAUST Repository

    Kelarakis, Antonios

    2011-05-01

    We report a systematic study of the crystallization and rheological behavior of poly(ethylene oxide) (PEO)-clay nanocomposites. To that end a series of nanocomposites based on PEOs of different molecular weight (103 < MW < 105 g/mol) and clay surface modifier was synthesized and characterized. Incorporation of organoclays with polar (MMT-OH) or aromatic groups (MMT-Ar) suppresses the crystallization of polymer chains in low MW PEO, but does not significantly affect the crystallization of high MW matrices. In addition, the relative complex viscosity of the nanocomposites based on low MW PEO increases significantly, but the effect is less pronounced at higher MWs. The viscosity increases in the series MMT-Alk < MMT-OH < MMT-Ar. In contrast to the neat PEO which exhibits a monotonic decrease of viscosity with temperature, all nanocomposites show an increase after a certain temperature. This is the first report of such dramatic enhancements in the viscoelasticity of nanocomposites, which are reversible, are based on a simple polymer matrix and are true in a wide temperature range. © 2011 Elsevier Ltd. All rights reserved.

  13. Mid-IR femtosecond frequency conversion by soliton-probe collision in phase-mismatched quadratic nonlinear crystals

    DEFF Research Database (Denmark)

    Liu, Xing; Zhou, Binbin; Guo, Hairun

    2015-01-01

    in a quadratic nonlinear crystal (beta-barium borate) in the normal dispersion regime due to cascaded (phase-mismatched) second-harmonic generation, and the mid-IR converted wave is formed in the anomalous dispersion regime between. lambda = 2.2-2.4 mu m as a resonant dispersive wave. This process relies...... on nondegenerate four-wave mixing mediated by an effective negative cross-phase modulation term caused by cascaded soliton-probe sum-frequency generation. (C) 2015 Optical Society of America...

  14. Crystal growth of pure substances: Phase-field simulations in comparison with analytical and experimental results

    Science.gov (United States)

    Nestler, B.; Danilov, D.; Galenko, P.

    2005-07-01

    A phase-field model for non-isothermal solidification in multicomponent systems [SIAM J. Appl. Math. 64 (3) (2004) 775-799] consistent with the formalism of classic irreversible thermodynamics is used for numerical simulations of crystal growth in a pure material. The relation of this approach to the phase-field model by Bragard et al. [Interface Science 10 (2-3) (2002) 121-136] is discussed. 2D and 3D simulations of dendritic structures are compared with the analytical predictions of the Brener theory [Journal of Crystal Growth 99 (1990) 165-170] and with recent experimental measurements of solidification in pure nickel [Proceedings of the TMS Annual Meeting, March 14-18, 2004, pp. 277-288; European Physical Journal B, submitted for publication]. 3D morphology transitions are obtained for variations in surface energy and kinetic anisotropies at different undercoolings. In computations, we investigate the convergence behaviour of a standard phase-field model and of its thin interface extension at different undercoolings and at different ratios between the diffuse interface thickness and the atomistic capillary length. The influence of the grid anisotropy is accurately analyzed for a finite difference method and for an adaptive finite element method in comparison.

  15. Crystallization Pathways in Biomineralization

    Science.gov (United States)

    Weiner, Steve; Addadi, Lia

    2011-08-01

    A crystallization pathway describes the movement of ions from their source to the final product. Cells are intimately involved in biological crystallization pathways. In many pathways the cells utilize a unique strategy: They temporarily concentrate ions in intracellular membrane-bound vesicles in the form of a highly disordered solid phase. This phase is then transported to the final mineralization site, where it is destabilized and crystallizes. We present four case studies, each of which demonstrates specific aspects of biological crystallization pathways: seawater uptake by foraminifera, calcite spicule formation by sea urchin larvae, goethite formation in the teeth of limpets, and guanine crystal formation in fish skin and spider cuticles. Three representative crystallization pathways are described, and aspects of the different stages of crystallization are discussed. An in-depth understanding of these complex processes can lead to new ideas for synthetic crystallization processes of interest to materials science.

  16. Travelling-wave amplitudes as solutions of the phase-field crystal equation

    Science.gov (United States)

    Nizovtseva, I. G.; Galenko, P. K.

    2018-01-01

    The dynamics of the diffuse interface between liquid and solid states is analysed. The diffuse interface is considered as an envelope of atomic density amplitudes as predicted by the phase-field crystal model (Elder et al. 2004 Phys. Rev. E 70, 051605 (doi:10.1103/PhysRevE.70.051605); Elder et al. 2007 Phys. Rev. B 75, 064107 (doi:10.1103/PhysRevB.75.064107)). The propagation of crystalline amplitudes into metastable liquid is described by the hyperbolic equation of an extended Allen-Cahn type (Galenko & Jou 2005 Phys. Rev. E 71, 046125 (doi:10.1103/PhysRevE.71.046125)) for which the complete set of analytical travelling-wave solutions is obtained by the method (Malfliet & Hereman 1996 Phys. Scr. 15, 563-568 (doi:10.1088/0031-8949/54/6/003); Wazwaz 2004 Appl. Math. Comput. 154, 713-723 (doi:10.1016/S0096-3003(03)00745-8)). The general solution of travelling waves is based on the function of hyperbolic tangent. Together with its set of particular solutions, the general solution is analysed within an example of specific task about the crystal front invading metastable liquid (Galenko et al. 2015 Phys. D 308, 1-10 (doi:10.1016/j.physd.2015.06.002)). The influence of the driving force on the phase-field profile, amplitude velocity and correlation length is investigated for various relaxation times of the gradient flow. This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

  17. Strong photonic crystal behavior in regular arrays of core-shell and quantum disc InGaN/GaN nanorod light-emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Lewins, C. J., E-mail: c.j.lewins@bath.ac.uk; Le Boulbar, E. D.; Lis, S. M.; Shields, P. A.; Allsopp, D. W. E., E-mail: d.allsopp@bath.ac.uk [Department of Electronic and Electrical Engineering, University of Bath, Claverton Down, Bath BA2 7AY (United Kingdom); Edwards, P. R.; Martin, R. W. [Department of Physics, SUPA, University of Strathclyde, Glasgow G4 0NG (United Kingdom)

    2014-07-28

    We show that arrays of emissive nanorod structures can exhibit strong photonic crystal behavior, via observations of the far-field luminescence from core-shell and quantum disc InGaN/GaN nanorods. The conditions needed for the formation of directional Bloch modes characteristic of strong photonic behavior are found to depend critically upon the vertical shape of the nanorod sidewalls. Index guiding by a region of lower volume-averaged refractive index near the base of the nanorods creates a quasi-suspended photonic crystal slab at the top of the nanorods which supports Bloch modes. Only diffractive behavior could be observed without this region. Slab waveguide modelling of the vertical structure shows that the behavioral regime of the emissive nanorod arrays depends strongly upon the optical coupling between the nanorod region and the planar layers below. The controlled crossover between the two regimes of photonic crystal operation enables the design of photonic nanorod structures formed on planar substrates that exploit either behavior depending on device requirements.

  18. Stepwise crystallization and the layered distribution in crystallization kinetics of ultra-thin poly(ethylene terephthalate) film

    Energy Technology Data Exchange (ETDEWEB)

    Zuo, Biao, E-mail: chemizuo@zstu.edu.cn, E-mail: wxinping@yahoo.com; Xu, Jianquan; Sun, Shuzheng; Liu, Yue; Yang, Juping; Zhang, Li; Wang, Xinping, E-mail: chemizuo@zstu.edu.cn, E-mail: wxinping@yahoo.com [Department of Chemistry, Key Laboratory of Advanced Textile Materials and Manufacturing Technology of the Education Ministry, Zhejiang Sci-Tech University, Hangzhou 310018 (China)

    2016-06-21

    Crystallization is an important property of polymeric materials. In conventional viewpoint, the transformation of disordered chains into crystals is usually a spatially homogeneous process (i.e., it occurs simultaneously throughout the sample), that is, the crystallization rate at each local position within the sample is almost the same. Here, we show that crystallization of ultra-thin poly(ethylene terephthalate) (PET) films can occur in the heterogeneous way, exhibiting a stepwise crystallization process. We found that the layered distribution of glass transition dynamics of thin film modifies the corresponding crystallization behavior, giving rise to the layered distribution of the crystallization kinetics of PET films, with an 11-nm-thick surface layer having faster crystallization rate and the underlying layer showing bulk-like behavior. The layered distribution in crystallization kinetics results in a particular stepwise crystallization behavior during heating the sample, with the two cold-crystallization temperatures separated by up to 20 K. Meanwhile, interfacial interaction is crucial for the occurrence of the heterogeneous crystallization, as the thin film crystallizes simultaneously if the interfacial interaction is relatively strong. We anticipate that this mechanism of stepwise crystallization of thin polymeric films will allow new insight into the chain organization in confined environments and permit independent manipulation of localized properties of nanomaterials.

  19. Synthesis, crystal structure and electronic structure of the binary phase Rh{sub 2}Cd{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Koley, Biplab [Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur 721302 (India); Chatterjee, S. [Department of Physics, Indian Institute of Technology Kharagpur, Kharagpur 721302 (India); Jana, Partha P., E-mail: ppj@chem.iitkgp.ernet.in [Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur 721302 (India)

    2017-02-15

    A new phase in the Rh-Cd binary system - Rh{sub 2}Cd{sub 5} has been identified and characterized by single crystal X-ray diffraction and Energy dispersive X-ray analysis. The stoichiometric compound Rh{sub 2}Cd{sub 5} crystallizes with a unit cell containing 14 atoms, in the orthorhombic space group Pbam (55). The crystal structure of Rh{sub 2}Cd{sub 5} can be described as a defect form of the In{sub 3}Pd{sub 5} structure with ordered vacancies, formed of two 2D atomic layers with the stacking sequence: ABAB. The A type layers consist of (3.6.3.6)-Kagomé nets of Cd atoms while the B type layers consist of (3{sup 5}) (3{sup 7})- nets of both Cd and Rh atoms. The stability of this line phase is investigated by first principle electronic structure calculations on the model of ordered Rh{sub 2}Cd{sub 5}. - Graphical abstract: (3.6.3.6)-Kagomé nets of cadmium atoms (top) and (3{sup 5}) (3{sup 7})- nets of both cadmium and rhodium atoms (bottom) in the structure of Rh{sub 2}Cd{sub 5}.

  20. In situ observation of the role of alumina particles on the crystallization behavior of slags

    Energy Technology Data Exchange (ETDEWEB)

    Orrling, C.

    2000-09-01

    The confocal laser scanning microscope (CLSM) allows crystallization behavior in liquid slags to he observed in situ at high temperatures. Slags in the lime-silica-alumina-magnesia system are easily tinder cooled and it is possible to construct time temperature transformation (TTT) diagrams for this system. The presence of solid alumina particles its these liquid slags was studied to determine if these particles act as heterogeneous nucleation sites that cause she precipitation of solid material within slags. The introduction of alumina particles reduced the incubation time for the onset of crystallization and increased the temperature at which crystallization was observed in the slags to close to the liquidus temperature for the slag. Crystal growth rates are in a good agreement with Ivantsov's solution of the problem of diffusion controlled dendritic growth. Alumina appears to be a potent nucleating agent in the slag systems that were studied. (author)

  1. Influences of chemical aging on the surface morphology and crystallization behavior of basaltic glass fibers

    DEFF Research Database (Denmark)

    Lund, Majbritt Deichgræber; Yue, Yuanzheng

    2008-01-01

    The impact of aging in high humidity and water on the surface morphology and crystallization behavior of basaltic glass fibers has been studied using scanning electron microscopy, transmission electron microscopy, calorimetry and X-ray diffraction. The results show that interaction between...... the fibers and the surrounding media (high humidity or water at 70 C) leads to chemical changes strongly affecting the surface morphology. The crystallization peak temperature of the basaltic glass fibers are increased without changing the onset temperature, this may be caused by a chemical depletion...

  2. Tensile behavior of laser treated Fe-Si-B metallic glass

    Energy Technology Data Exchange (ETDEWEB)

    Joshi, Sameehan S.; Samimi, Peyman; Ghamarian, Iman; Katakam, Shravana; Collins, Peter C.; Dahotre, Narendra B., E-mail: narendra.dahotre@unt.edu [Department of Materials Science and Engineering, University of North Texas, 1150 Union Circle 305310, Denton, Texas 76203-5017 (United States)

    2015-10-28

    Fe-Si-B metallic glass foils were treated with a linear laser track using a continuous wave Nd-YAG laser and its effect on the overall tensile behavior was investigated. Microstructure and phase evolutions were evaluated using X-ray diffraction, resistivity measurements, and transmission electron microscopy. Crystallization fraction was estimated via the differential scanning calorimetry technique. Metallic glass foils treated with the lower laser fluences (<0.49 J/mm{sup 2}) experienced structural relaxation, whereas higher laser fluences led to crystallization within the laser treated region. The overall tensile behavior was least impacted by structural relaxation, whereas crystallization severely reduced the ultimate tensile strength of the laser treated metallic glass foils.

  3. Raman scattering study of the structural phase transition in single crystal KDy(MoO4)2

    Science.gov (United States)

    Peschanskii, A. V.

    2017-11-01

    Raman scattering of light in single-crystal KDy(MoO4)2 is studied at frequencies of 3-1000 cm-1 for temperatures ranging from 2 to 300 K, including that of a structural phase transition of the cooperative Jahn-Teller type (TC ˜ 14.5 K). During the transition to the low-temperature phase, a series of additional phonon lines corresponding to the Ag, B1g, B2g, and B3g modes is observed which indicates a doubling of the unit cell during the phase transition. An analysis of the symmetry of the phonon modes shows that the low-temperature phase has a predominantly monoclinic symmetry with conservation of a second order axis along the crystallographic b direction, i.e., perpendicular to the layers. Excitations are discovered which correspond to low-energy electronic transitions between levels of the ground-state 6H15/2 multiplet of the Dy3+ ion, which is split in the crystal field with a C2 symmetry. In the vicinity of the first excited Kramers doublet of the Dy3+ ion in crystalline KDy(MoO4)2, the scattered spectrum contains four lines [16.5, 21.0, 24.9, and 29.1 cm-1 (2 K)] at low temperatures, instead of a single line [18.3 cm-1 (25 K)] above the phase transition temperature (14.5 K). This indicates the existence of four nonequivalent dysprosium ions in the low-temperature phase.

  4. Shear and Rapeseed Oil Addition Affect the Crystal Polymorphic Behavior of Milk Fat

    DEFF Research Database (Denmark)

    Kaufmann, Niels; Kirkensgaard, Jacob Judas Kain; Andersen, Ulf

    2013-01-01

    The effect of shear on the crystallization kinetics of anhydrous milk fat (AMF) and blends with 20 and 30 % w/w added rapeseed oil (RO) was studied. Pulse 1H NMR was used to follow the a to b0 polymorphic transition. The NMR method was confirmed and supported by SAXS/WAXS experiments. Samples were...... faster in the presence of RO allowing more room for the conformational changes to occur. Final SFC decreased with increasing RO content. Shear applied in 20 and 30 % blends caused the destruction of b0-related 3L structure leaving only 2L packing. In AMF and statically crystallized samples, both 3L and 2......L packing existed. Shear did not affect the amount of b crystals formed. The study shows that both shear and RO affect the polymorphic behavior of milk fat, and that 1H NMR is able to detect polymorphic transition in blends with up to 30 % w/w RO....

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

    International Nuclear Information System (INIS)

    Rosencrance, S.

    2003-01-01

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

  6. Highly resistive C-doped hydride vapor phase epitaxy-GaN grown on ammonothermally crystallized GaN seeds

    Science.gov (United States)

    Iwinska, Malgorzata; Piotrzkowski, Ryszard; Litwin-Staszewska, Elzbieta; Sochacki, Tomasz; Amilusik, Mikolaj; Fijalkowski, Michal; Lucznik, Boleslaw; Bockowski, Michal

    2017-01-01

    GaN crystals were grown by hydride vapor phase epitaxy (HVPE) and doped with C. The seeds were high-structural-quality ammonothermally crystallized GaN. The grown crystals were highly resistive at 296 K and of high structural quality. High-temperature Hall effect measurements revealed p-type conductivity and a deep acceptor level in the material with an activation energy of 1 eV. This is in good agreement with density functional theory calculations based on hybrid functionals as presented by the Van de Walle group. They obtained an ionization energy of 0.9 eV when C was substituted for N in GaN and acted as a deep acceptor.

  7. On the long-time behavior of some mathematical models for nematic liquid crystals

    Czech Academy of Sciences Publication Activity Database

    Petzeltová, Hana; Rocca, E.; Schimperna, G.

    2013-01-01

    Roč. 46, 3-4 (2013), s. 623-639 ISSN 0944-2669 R&D Projects: GA MŠk LC06052 Institutional research plan: CEZ:AV0Z10190503 Keywords : nematic liquid crystals * long-time behavior * flows Subject RIV: BA - General Mathematics Impact factor: 1.526, year: 2013 http://www.springerlink.com/content/d61u566014515884/

  8. Molecular dynamics on diffusive time scales from the phase-field-crystal equation.

    Science.gov (United States)

    Chan, Pak Yuen; Goldenfeld, Nigel; Dantzig, Jon

    2009-03-01

    We extend the phase-field-crystal model to accommodate exact atomic configurations and vacancies by requiring the order parameter to be non-negative. The resulting theory dictates the number of atoms and describes the motion of each of them. By solving the dynamical equation of the model, which is a partial differential equation, we are essentially performing molecular dynamics simulations on diffusive time scales. To illustrate this approach, we calculate the two-point correlation function of a fluid.

  9. Amorphous-to-crystalline transition in Ge{sub 8}Sb{sub (2-x)}Bi{sub x}Te{sub 11} phase-change materials for data recording

    Energy Technology Data Exchange (ETDEWEB)

    Svoboda, Roman, E-mail: roman.svoboda@upce.cz [Department of Physical Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentska 573, 532 10 Pardubice (Czech Republic); Karabyn, Vasyl [Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentska 573, 532 10 Pardubice (Czech Republic); Málek, Jiří [Department of Physical Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentska 573, 532 10 Pardubice (Czech Republic); Frumar, Miloslav [Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentska 573, 532 10 Pardubice (Czech Republic); Beneš, Ludvík; Vlček, Milan [Joint Laboratory of Solid State Chemistry of Institute of Macromolecular Chemistry of the Academy of Sciences of the Czech Republic v.v.i. and the University of Pardubice 532 10 Pardubice (Czech Republic)

    2016-07-25

    Structural and thermokinetic analyses were used to study the crystallization behavior of Ge{sub 8}Sb{sub (2-x)}Bi{sub x}Te{sub 11}thin films, promising materials for phase-change memory recording applications. By exploring the full compositional range, it was found that the Sb→Bi substitution leads to a decrease of crystallization enthalpy and activation energy of the main crystallization phase-change process. These trends were explained in terms of the changing structural ordering within the recently proposed new phase-change atomic switching mechanism. All of the compositions exhibited very similar transformation kinetics, confirming the uniformity of the phase-change mechanisms involved. It was further shown that rapid energy delivery achieved during heating, in the case of all investigated materials, leads to a transition from the classical nucleation/growth-based formation of 3D crystallites towards an autocatalytic phase-change process with an enormously increased speed of crystallization. Rapidity of the crystallization process was quantified for all of the studied compositions based on a novel Index of Crystallization Rapidity criterion – the results provided by this criterion showed that the highest crystallization speed was produced by the Ge{sub 8}Sb{sub 0.8}Bi{sub 1.2}Te{sub 11} composition, which therefore from this point of view appears to be a suitable candidate for the new generation of phase-change memory recording devices. - Highlights: • Crystallization behavior of Ge{sub 8}Sb{sub (2-x)}Bi{sub x}Te{sub 11} thin films was studied by DSC. • Sb → Bi substitution leads to a decrease of crystallization enthalpy and activation energy. • All compositions exhibited very similar transformation kinetics. • Rapidity of the crystallization process was quantified for the studied compositions. • Highest crystallization speed was produced by the Ge{sub 8}Sb{sub 0.8}Bi{sub 1.2}Te{sub 11} composition.

  10. The effect of pressure on the conductivity behavior of the (NH4)3H(SeO4)2 superprotonic crystal

    Science.gov (United States)

    Lindner, Ł.; Zdanowska-Frączek, M.; Pawłowski, A.; Frączek, Z. J.; Masłowski, T.

    2017-07-01

    The impedance spectra of (NH4)3 H(SeO4)2 in low and high-conductive phases under various thermodynamic conditions were analyzed. The measurements were performed by the ac admittance technique along the trigonal c axis of the crystal, i.e., along the direction perpendicular to the plane in which, in the superionic phases, a dynamically disordered H-bond network was formed. Activation energies and activation volumes were calculated for different phases of the (NH4)3 H(SeO4)2 crystal from the baric dependencies of dc conductivity and they were correlated with pressure coefficients of the phase transitions. The experimental results were analyzed within the classical hopping model, in terms of the strong proton-phonon coupling and polaronic effect.

  11. Effects of emulsifier addition on the crystallization and melting behavior of palm olein and coconut oil.

    Science.gov (United States)

    Maruyama, Jessica Mayumi; Soares, Fabiana Andreia Schafer De Martini; D'Agostinho, Natalia Roque; Gonçalves, Maria Inês Almeida; Gioielli, Luiz Antonio; da Silva, Roberta Claro

    2014-03-12

    Two commercial emulsifiers (EM1 and EM2), containing predominantly monoacylglycerols (MAGs), were added in proportiond of 1.0 and 3.0% (w/w) to coconut oil and palm olein. EM1 consisted of approximately 90% MAGs, whereas EM2 consisted of approximately 50% MAGs. The crystallization behavior of these systems was evaluated by differential scanning calorimetry (DSC) and microscopy under polarized light. On the basis of DSC results, it was clear that the addition of EM2 accelerated the crystallization of coconut oil and delayed the crystallization of palm olein. In both oils EM2 addition led to the formation of smaller spherulites, and these effects improved the possibilities for using these fats as ingredients. In coconut oil the spherulites were maintained even at higher temperatures (20 °C). The addition of EM1 to coconut oil changed the crystallization pattern. In palm olein, the addition of 3.0% (w/w) of this emulsifier altered the pattern of crystallization of this fat.

  12. Utilization of a liquid crystal spatial light modulator in a gray scale detour phase method for Fourier holograms.

    Science.gov (United States)

    Makey, Ghaith; El-Daher, Moustafa Sayem; Al-Shufi, Kanj

    2012-11-10

    This paper introduces a new modification for the well-known binary detour phase method, which is largely used to represent Fourier holograms; the modification utilizes gray scale level control provided by a liquid crystal spatial light modulator to improve the traditional binary detour phase. Results are shown by both simulation and experiment.

  13. Solar radiation control using nematic curvilinear aligned phase (NCAP) liquid crystal technology

    Science.gov (United States)

    vanKonynenburg, Peter; Marsland, Stephen; McCoy, James

    1987-11-01

    A new, advanced liquid crystal technology has made economical, large area, electrically-controlled windows a commercial reality. The new technology, Nematic Curvilinear Aligned Phase (NCAP), is based on a polymeric material containing small droplets of nematic liquid crystal which is coated and laminated between transparent electrodes and fabricated into large area field effect devices. NCAP windows feature variable solar transmission and reflection through a voltage-controlled scattering mechanism. Laminated window constructions provide the excellent transmission and visibility of glass in the powered condition. In the unpowered condition, the windows are highly translucent, and provide 1) blocked vision for privacy, security, and obscuration of information, and 2) glare control and solar shading. The stability is excellent during accelerated aging tests. Degradation mechanisms which can limit performance and lifetime are discussed. Maximum long term stability is achieved by product designs that incorporate the appropriate window materials to provide environmental protection.

  14. Geometric phase for a two-level system in photonic band gab crystal

    Science.gov (United States)

    Berrada, K.

    2018-05-01

    In this work, we investigate the geometric phase (GP) for a qubit system coupled to its own anisotropic and isotropic photonic band gap (PBG) crystal environment without Born or Markovian approximation. The qubit frequency affects the GP of the qubit directly through the effect of the PBG environment. The results show the deviation of the GP depends on the detuning parameter and this deviation will be large for relatively large detuning of atom frequency inside the gap with respect to the photonic band edge. Whereas for detunings outside the gap, the GP of the qubit changes abruptly to zero, exhibiting collapse phenomenon of the GP. Moreover, we find that the GP in the isotropic PBG photonic crystal is more robust than that in the anisotropic PBG under the same condition. Finally, we explore the relationship between the variation of the GP and population in terms of the physical parameters.

  15. Crystallization behavior of tetragonal ZrO{sub 2} prepared in a silica bath

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Moo-Chin, E-mail: mcwang@kmu.edu.tw [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 80708, Taiwan (China); Huang, Hung-Jui [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 80708, Taiwan (China)

    2013-09-10

    Highlights: ► The activation energy of t-ZrO{sub 2} crystallization calculated by the JMA equation is 643.0 ± 13.9 kJ·mol{sup −1}. ► The growth morphology parameter (n) and crystallization mechanism index (m) are approximated as 3.0. ► Bulk nucleation is dominant in the t-ZrO{sub 2} crystallization process, and has a spherical-like morphology. ► The TEM microstructure reveals that the t-ZrO{sub 2} crystallites have a spherical-like morphology. - Abstract: The synthesis of zirconia (ZrO{sub 2}) precursor powders by a co-precipitation process is studied in this work, using a silica bath prepared at 348 K and pH = 7, with 10 min mixing using zirconium (IV) nitrate and tetraethylorthosilicate (TEOS, Si(OC{sub 2}H{sub 5}){sub 4}) as the starting materials. The XRD result show that only a single phase of tetragonal ZrO{sub 2} (t-ZrO{sub 2}) appears when the freeze dried precursor powders are calcined between 1173 and 1473 K for 120 min. The activation energy of t-ZrO{sub 2} crystallization, as calculated by the Johnson–Mehl–Avrami (JMA) equation, is 643.0 ± 13.9 kJ/mol. The growth morphology parameter (n) and crystallization mechanism index (m) are approximated as 3.0, which indicates that bulk nucleation is dominant in the t-ZrO{sub 2} crystallization process, and that the material has a plate-like morphology.

  16. Production and several properties of single crystal austenitic stainless steels

    International Nuclear Information System (INIS)

    Okamoto, Kazutaka; Yoshinari, Akira; Kaneda, Junya; Aono, Yasuhisa; Kato, Takahiko

    1998-01-01

    The single crystal austenitic stainless steels Type 316L and 304L were grown in order to improve the resistance to stress corrosion cracking (SCC) using a unidirectional solidification method which can provide the large size single crystals. The mechanical properties and the chemical properties were examined. The orientation and temperature dependence of tensile properties of the single crystals were measured. The yield stress of the single crystal steels are lower than those of the conventional polycrystal steels because of the grain boundary strength cannot be expected in the single crystal steels. The tensile properties of the single crystal austenitic stainless steel Type 316L depend strongly on the orientation. The tensile strength in orientation are about 200 MPa higher than those in the and orientations. The microstructure of the single crystal consists of a mixture of the continuous γ-austenitic single crystal matrix and the δ-ferrite phase so that the effects of the γ/δ boundaries on the chemical properties were studied. The effects of the δ-ferrite phases and the γ/δ boundaries on the resistance to SCC were examined by the creviced bent beam test (CBB test). No crack is observed in all the CBB test specimens of the single crystals, even at the γ/δ boundaries. The behavior of the radiation induced segregation (RIS) at the γ/δ boundaries in the single crystal austenitic stainless steel Type 316L was evaluated by the electron irradiation test in the high voltage electron microscope (HVEM). The depletion of oversized solute chromium at the γ/δ boundary in the single crystal austenitic stainless steel Type 316L is remarkably lower than that at the grain boundary in the polycrystalline-type 316L. (author)

  17. Monoclinic MB phase and phase instability in [110] field cooled Pb(Zn1/3Nb2/3)O3-4.5%PbTiO3 single crystals

    Science.gov (United States)

    Yao, Jianjun; Cao, Hu; Ge, Wenwei; Li, Jiefang; Viehland, D.

    2009-08-01

    We report the finding of a monoclinic MB phase in Pb(Zn1/3Nb2/3)O3-4.5%PbTiO3 single crystals. High precision x-ray diffraction investigations of [110] field cooled crystals have shown a transformation sequence of cubic(C)→tetragonal(T)→orthorhombic(O)→monoclinic(MB), which is different from that previously reported [A.-E. Renault et al., J. Appl. Phys. 97, 044105 (2005)]. Beginning in the zero-field-cooled condition at 383 K, a rhombohedral (R)→MB→O sequence was observed with increasing field. Coexisting MB and O phases were then found upon removal of field, which fully transformed to MB on cooling to room temperature.

  18. Resistive switching behavior in single crystal SrTiO{sub 3} annealed by laser

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Xinqiang [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Shuai, Yao, E-mail: yshuai@uestc.edu.cn [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Collaboration Innovation Center of Electronic Materials and Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Wu, Chuangui, E-mail: cgwu@uestc.edu.cn [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Collaboration Innovation Center of Electronic Materials and Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Luo, Wenbo [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Collaboration Innovation Center of Electronic Materials and Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Sun, Xiangyu [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Yuan, Ye; Zhou, Shengqiang [Helmholtz-Zentrum Dresden Rossendorf, Institute of Ion Beam Physics and Materials Research, Bautzner Landstrasse 400, D-01328 Dresden (Germany); Ou, Xin [State Key Laboratory of Functional Material for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Zhang, Wanli [State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China); Collaboration Innovation Center of Electronic Materials and Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China)

    2016-12-15

    Highlights: • Laser annealing was used to introduce oxygen vacancies into the single crystal SrTiO{sub 3}. • The effect of laser annealing with different fluence on the single crystal SrTiO{sub 3} was systematically studied. • The concentration of oxygen vacancies can be tuned by changing the fluence of laser. • Resistive switching behavior was observed in the sample with relatively high laser fluence after an electro-forming process. - Abstract: Single crystal SrTiO{sub 3} (STO) wafers were annealed by XeCl laser (λ = 308 nm) with different fluences of 0.4 J/cm{sup 2}, 0.6 J/cm{sup 2} and 0.8 J/cm{sup 2}, respectively. Ti/Pt electrodes were sputtered on the surface of STO wafer to form co-planar capacitor-like structures of Pt/Ti/STO/Ti/Pt. Current-Voltage measurements show that the leakage current is enhanced by increasing laser fluence. Resistive switching behavior is only observed in the sample annealed by laser with relatively high fluence after an electro-forming process. The X-ray photoelectron spectroscopy measurements indicate that the amount of oxygen vacancies increases with the increase of laser fluence. This work indicates resistive switching appears when enough oxygen vacancies are generated by the laser, which form conductive filaments under an external electric field.

  19. Soft Elasticity in Main Chain Liquid Crystal Elastomers

    Directory of Open Access Journals (Sweden)

    Anselm C. Griffin

    2013-06-01

    Full Text Available Main chain liquid crystal elastomers exhibit several interesting phenomena, such as three different regimes of elastic response, unconventional stress-strain relationship in one of these regimes, and the shape memory effect. Investigations are beginning to reveal relationships between their macroscopic behavior and the nature of domain structure, microscopic smectic phase structure, relaxation mechanism, and sample history. These aspects of liquid crystal elastomers are briefly reviewed followed by a summary of the results of recent elastic and high-resolution X-ray diffraction studies of the shape memory effect and the dynamics of the formation of the smectic-C chevron-like layer structure. A possible route to realizing auxetic effect at molecular level is also discussed.

  20. Reversed-phase thin-layer chromatography behavior of aldopentose derivatives

    Directory of Open Access Journals (Sweden)

    Malbaša Radomir V.

    2012-01-01

    Full Text Available Quantitative structure-retention relationships (QSRR have been used to study the chromatographic behavior of some aldopentose. The behavior of aldopentose derivatives was investigated by means of the reversed-phase thin-layer chromatography (RP TLC on the silica gel impregnated with paraffin oil stationary phases. Binary mixtures of methanol-water, acetone-water and dioxane-water were used as mobile phases. Retention factors, RM0, corresponding to zero percent organic modifier in the aqueous mobile phase was determined. Lipophilicity C0 was calculated as the ratio of the intercept and slope values. There was satisfactory correlation between them and log P values calculated using different theoretical procedures. Some of these correlations offer very good predicting models, which are important for a better understanding of the relationships between chemical structure and retention. The study showed that the hydrophobic parameters RM0 and C0 can be used as a measures of lipophilicity of investigated compounds.

  1. Study of a macrodefect in a silicon carbid single crystal by means of X-ray phase contrast

    Energy Technology Data Exchange (ETDEWEB)

    Argunova, T. S., E-mail: argunova2002@mail.ru [Russian Academy of Sciences, Ioffe Institute (Russian Federation); Kohn, V. G. [National Research Centre “Kurchatov Institute” (Russian Federation); Lim, J. H. [Pohang Accelerator Laboratory (Korea, Republic of); Je, J. H. [Pohang University of Science and Technology, Department of Materials Science and Engineering (Korea, Republic of)

    2016-11-15

    The morphology of a macrodefect in a single-crystal silicon carbide wafer has been investigated by the computer simulation of an experimental X-ray phase-contrast image. A micropipe, i.e., a long cavity with a small (elliptical in the general case) cross section, in a single crystal has been considered as a macrodefect. A far-field image of micropipe has been measured with the aid of synchrotron radiation without a monochromator. The parameters of micropipe elliptical cross section are determined based on one projection in two directions: parallel and perpendicular to the X-ray beam propagation direction, when scanning along the pipe axis. The results demonstrate the efficiency of the phase contrast method supplemented with computer simulation for studying such macrodefects when the defect position in the sample volume is unknown beforehand.

  2. Phase Behaviors of Reservoir Fluids with Capillary Eff ect Using Particle Swarm Optimization

    KAUST Repository

    Ma, Zhiwei

    2013-05-06

    The study of phase behavior is important for the oil and gas industry. Many approaches have been proposed and developed for phase behavior calculation. In this thesis, an alternative method is introduced to study the phase behavior by means of minimization of Helmholtz free energy. For a system at fixed volume, constant temperature and constant number of moles, the Helmholtz free energy reaches minimum at the equilibrium state. Based on this theory, a stochastic method called Particle Swarm Optimization (PSO) algorithm, is implemented to compute the phase diagrams for several pure component and mixture systems. After comparing with experimental and the classical PT-ash calculation, we found the phase diagrams obtained by minimization of the Helmholtz Free Energy approach match the experimental and theoretical diagrams very well. Capillary effect is also considered in this thesis because it has a significant influence on the phase behavior of reservoir fluids. In this part, we focus on computing the phase envelopes, which consists of bubble and dew point lines. Both fixed and calculated capillary pressure from the Young-Laplace equation cases are introduced to study their effects on phase envelopes. We found that the existence of capillary pressure will change the phase envelopes. Positive capillary pressure reduces the dew point and bubble point temperatures under the same pressure condition, while the negative capillary pressure increases the dew point and bubble point temperatures. In addition, the change of contact angle and pore radius will affect the phase envelope. The effect of the pore radius on the phase envelope is insignificant when the radius is very large. These results may become reference for future research and study. Keywords: Phase Behavior; Particle Swarm Optimization; Capillary Pressure; Reservoir Fluids; Phase Equilibrium; Phase Envelope.

  3. Phase Behaviors of Reservoir Fluids with Capillary Eff ect Using Particle Swarm Optimization

    KAUST Repository

    Ma, Zhiwei

    2013-01-01

    The study of phase behavior is important for the oil and gas industry. Many approaches have been proposed and developed for phase behavior calculation. In this thesis, an alternative method is introduced to study the phase behavior by means of minimization of Helmholtz free energy. For a system at fixed volume, constant temperature and constant number of moles, the Helmholtz free energy reaches minimum at the equilibrium state. Based on this theory, a stochastic method called Particle Swarm Optimization (PSO) algorithm, is implemented to compute the phase diagrams for several pure component and mixture systems. After comparing with experimental and the classical PT-ash calculation, we found the phase diagrams obtained by minimization of the Helmholtz Free Energy approach match the experimental and theoretical diagrams very well. Capillary effect is also considered in this thesis because it has a significant influence on the phase behavior of reservoir fluids. In this part, we focus on computing the phase envelopes, which consists of bubble and dew point lines. Both fixed and calculated capillary pressure from the Young-Laplace equation cases are introduced to study their effects on phase envelopes. We found that the existence of capillary pressure will change the phase envelopes. Positive capillary pressure reduces the dew point and bubble point temperatures under the same pressure condition, while the negative capillary pressure increases the dew point and bubble point temperatures. In addition, the change of contact angle and pore radius will affect the phase envelope. The effect of the pore radius on the phase envelope is insignificant when the radius is very large. These results may become reference for future research and study. Keywords: Phase Behavior; Particle Swarm Optimization; Capillary Pressure; Reservoir Fluids; Phase Equilibrium; Phase Envelope.

  4. Thermal evolution of the crystal structure of the orthorhombic perovskite LaFeO3

    International Nuclear Information System (INIS)

    Dixon, Charlotte A.L.; Kavanagh, Christopher M.; Knight, Kevin S.; Kockelmann, Winfried; Morrison, Finlay D.; Lightfoot, Philip

    2015-01-01

    The thermal evolution of the crystal structure of the prototypical orthorhombic perovskite LaFeO 3 has been studied in detail by powder neutron diffraction in the temperature range 25behavior to be understood. In particular, the largest-amplitude symmetry modes (viz. in-phase and out-of-phase octahedral tilts, and A-site cation displacements) are shown to display relatively ‘normal’ behavior, increasing with decreasing temperature, which contrasts with the anomalous behavior previously shown by the derivative Bi 0.5 La 0.5 FeO 3 . However, an unexpected behavior is seen in the nature of the intra-octahedral distortion, which is used to rationalize the unique occurrence of a temperature dependent crossover of the a and c unit cell metrics in this compound. - Graphical abstract: The unusual thermal evolution of lattice metrics in the perovskite LaFeO 3 is rationalized from a detailed powder neutron diffraction study. - Highlights: • Crystal structure of the perovskite LaFeO 3 studied in detail by powder neutron diffraction. • Unusual thermal evolution of lattice metrics rationalized. • Contrasting behavior to Bi-doped LaFeO 3 . • Octahedral distortion/tilt parameters explain unusual a and c lattice parameter behavior

  5. Photoacoustic wave propagating from normal into superconductive phases in Pb single crystals

    OpenAIRE

    Iwanaga, Masanobu

    2005-01-01

    Photoacoustic (PA) wave has been examined in a superconductor of the first kind, Pb single crystal. The PA wave is induced by optical excitation of electronic state and propagates from normal into superconductive phases below T$_{\\rm C}$. It is clearly shown by wavelet analysis that the measured PA wave includes two different components. The high-frequency component is MHz-ultrasonic and the relative low-frequency one is induced by thermal wave. The latter is observed in a similar manner irre...

  6. Chaotic behavior in Casimir oscillators: A case study for phase-change materials.

    Science.gov (United States)

    Tajik, Fatemeh; Sedighi, Mehdi; Khorrami, Mohammad; Masoudi, Amir Ali; Palasantzas, George

    2017-10-01

    Casimir forces between material surfaces at close proximity of less than 200 nm can lead to increased chaotic behavior of actuating devices depending on the strength of the Casimir interaction. We investigate these phenomena for phase-change materials in torsional oscillators, where the amorphous to crystalline phase transitions lead to transitions between high and low Casimir force and torque states, respectively, without material compositions. For a conservative system bifurcation curve and Poincare maps analysis show the absence of chaotic behavior but with the crystalline phase (high force-torque state) favoring more unstable behavior and stiction. However, for a nonconservative system chaotic behavior can take place introducing significant risk for stiction, which is again more pronounced for the crystalline phase. The latter illustrates the more general scenario that stronger Casimir forces and torques increase the possibility for chaotic behavior. The latter is making it impossible to predict whether stiction or stable actuation will occur on a long-term basis, and it is setting limitations in the design of micronano devices operating at short-range nanoscale separations.

  7. Coefficient of crystal lattice matching as a parameter of substrate - crystal structure compatibility in silumins

    Directory of Open Access Journals (Sweden)

    J. Piątkowski

    2009-07-01

    Full Text Available Adding high-melting point elements (Mo, Nb, Ni, Ti, W to complex silumins results in hardening of the latter ones, owing to the formation of new intermetallic phases of the AlxMey type, with refinement of dendrites in α solution and crystals in β phase. The hardening is also due to the effect of various inoculants. An addition of the inoculant is expected to form substrates, the crystal lattice of which, or some (privileged lattice planes and interatomic spaces should bear a strong resemblance to the crystal nucleus. To verify this statement, using binary phase equilibria systems, the coefficient of crystal lattice matching, being one of the measures of the crystallographic similarity, was calculated. A compatibility of this parameter (up to 20% may decide about the structure compatibility between the substrate and crystal which, in turn, is responsible for the effectiveness of alloy modification. Investigations have proved that, given the temperature range of their formation, the density, the lattice type, and the lattice parameter, some intermetallic phases of the AlxMey type can act as substrates for the crystallisation of aluminium and silicon, and some of the silumin hardening phases.

  8. Unexpectedly normal phase behavior of single homopolymer chains

    International Nuclear Information System (INIS)

    Paul, W.; Strauch, T.; Rampf, F.; Binder, K.

    2007-01-01

    Employing Monte Carlo simulations, we show that the topology of the phase diagram of a single flexible homopolymer chain changes in dependence on the range of an attractive square well interaction between the monomers. For a range of attraction larger than a critical value, the equilibrium phase diagram of the single polymer chain and the corresponding polymer solution phase diagram exhibit vapor (swollen coil, dilute solution), liquid (collapsed globule, dense solution), and solid phases. Otherwise, the liquid-vapor transition vanishes from the equilibrium phase diagram for both the single chain and the polymer solution. This change in topology of the phase diagram resembles the behavior known for colloidal dispersions. The interplay of enthalpy and conformational entropy in the polymer case thus can lead to the same topology of phase diagrams as the interplay of enthalpy and translational entropy in simple liquids

  9. Phase transition detection by surface photo charge effect in liquid crystals

    Science.gov (United States)

    Ivanov, O.; Petrov, M.; Naradikian, H.; Perez-Diaz, J. L.

    2018-05-01

    The surface photo charge effect (SPCE) was applied for the first time at structure and phase transitions study of hydrogen bonded in dimer liquid crystals (HBDLCs). Due to the high sensitivity of this method, besides first-order phase transitions, characteristic for the p,n-octyloxibenzoic acids (8OBA), an order transition was definitely detected within the nematic range. We state that the SPCE, arising at the solid-HBDLCs interface due to the double electrical layer, is invariably concomitant with solid surface-liquid interfaces, and indicates that the changes of the characteristics of this layer, under incident optical irradiation, induce surface charge rearrangement and alternating potential difference. A mechanism of induction of the SPCE at the interface of solid surface-anisotropic liquids is proposed. We also indicate that this mechanism can be adapted for solid surface-isotropic liquid interface, including colloids (milk) and fog (aerosols)-condensed medium.

  10. Crystal growth and properties of novel organic nonlinear optical crystals of 4-Nitrophenol urea

    Energy Technology Data Exchange (ETDEWEB)

    Mohan, M. Krishna, E-mail: krishnamohan.m@ktr.srmuniv.ac.in; Ponnusamy, S.; Muthamizhchelvan, C.

    2017-07-01

    Single crystals of 4-Nitrophenol urea have been grown from water using slow evaporation technique at constant temperature, with the vision to improve the properties of the crystals. The unit cell parameters of the grown crystals were determined by single crystal and powder X-Ray diffraction. FTIR studies reveals the presence of different vibrational bands. The Optical studies confirmed that the crystal is transparent up to 360 nm .TGA and DSC studies were carried out to understand the thermal behavior of crystals. The SHG studies show the suitability of the crystals for NLO applications. The etching studies were carried out to study the behavior of the crystals under different conditions.These studies reveal that the crystals of 4-Nitrophenol urea are suitable for device applications. - Highlights: • 4-Nitrophenol urea crystals of dimensions 14 mm × 1 mm were grown. • UV–Visible studies indicate the crystal is transparent in the region of 370–800 nm. • Thermal studies show the crystal starts decomposing at 170 °C. • SHG studies indicate that the crystals have NLO efficiency 3.5 times that of KDP.

  11. Phase-Field Modeling of Polycrystalline Solidification: From Needle Crystals to Spherulites—A Review

    Science.gov (United States)

    Gránásy, László; Rátkai, László; Szállás, Attila; Korbuly, Bálint; Tóth, Gyula I.; Környei, László; Pusztai, Tamás

    2014-04-01

    Advances in the orientation-field-based phase-field (PF) models made in the past are reviewed. The models applied incorporate homogeneous and heterogeneous nucleation of growth centers and several mechanisms to form new grains at the perimeter of growing crystals, a phenomenon termed growth front nucleation. Examples for PF modeling of such complex polycrystalline structures are shown as impinging symmetric dendrites, polycrystalline growth forms (ranging from disordered dendrites to spherulitic patterns), and various eutectic structures, including spiraling two-phase dendrites. Simulations exploring possible control of solidification patterns in thin films via external fields, confined geometry, particle additives, scratching/piercing the films, etc. are also displayed. Advantages, problems, and possible solutions associated with quantitative PF simulations are discussed briefly.

  12. Dynamics of mineral crystallization at inclusion-garnet interface from precipitated slab-derived fluid phase: first in-situ synchrotron x-ray measurements

    Science.gov (United States)

    Malaspina, Nadia; Alvaro, Matteo; Campione, Marcello; Nestola, Fabrizio

    2015-04-01

    Remnants of the fluid phase at ultrahigh pressure (UHP) in subduction environments may be preserved as primary multiphase inclusions in UHP minerals. These inclusions are frequently hosted by minerals stable at mantle depths, such as garnet, and show the same textural features as fluid inclusions. The mineral infillings of the solid multiphase inclusions are generally assumed to have crystallized by precipitation from the solute load of dense supercritical fluids equilibrating with the host rock. Notwithstanding the validity of this assumption, the mode of crystallization of daughter minerals during precipitation within the inclusion and/or the mechanism of interaction between the fluid at supercritical conditions and the host mineral are still poorly understood from a crystallographic point of view. A case study is represented by garnet orthopyroxenites from the Maowu Ultramafic Complex (China) deriving from harzburgite precursors metasomatised at ~ 4 GPa, 750 °C by a silica- and incompatible trace element-rich fluid phase. This metasomatism produced poikilitic orthopyroxene and inclusion-rich garnet porphyroblasts. Solid multiphase primary inclusions in garnet display a size within a few tens of micrometers and negative crystal shapes. Infilling minerals (spinel: 10-20 vol.%; amphibole, chlorite, talc, mica: 80- 90 vol.%) occur with constant volume ratios and derive from trapped solute-rich aqueous fluids. To constrain the possible mode of precipitation of daughter minerals, we performed for the first time a single-crystal X-ray diffraction experiment by means of Synchrotron Radiation at DLS-Diamond Light Source. In combination with electron probe microanalyses, this measurement allowed the unique identification of each mineral phase and their reciprocal orientations. We demonstrated the epitaxial relationship between spinel and garnet and between some hydrous minerals. Epitaxy drives a first-stage nucleation of spinel under near-to-equilibrium conditions

  13. radiation and electric field induced effects on the order-disorder phase in lithium sodium sulphate crystals

    Science.gov (United States)

    Hamed, A. E.; Kassem, M. E.; El-Wahidy, E. F.; El-Abshehy, M. A.

    1995-03-01

    The temperature dependence of specific heat at constant pressure, Cp(T), has been measured for lithium sodium sulphate, LiNaSo4 crystals, at different ?-radiation doses and external bias electric field (Eb), in the temperature range 300-900 K. A nonlinear dependence of transition temperature, T1 and a remarkable change in the thermodynamic parameters, were obtained as the effect of both electric field and ?-radiation. The effect of ?-radiation doses on the phase transition in LiNaSO4 crystals was explained as due to an internal bias field, Eb, originating from the interaction of polar defects with the order parameter of the host lattice. The internal bias field effect on the behaviour of Cp(T) in LiNaSO4 crystals was similar to that of the external electric field (E).

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

    Science.gov (United States)

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

    2015-02-20

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

  15. Effects of Covalent Functionalization of MWCNTs on the Thermal Properties and Non-Isothermal Crystallization Behaviors of PPS Composites

    Directory of Open Access Journals (Sweden)

    Myounguk Kim

    2017-09-01

    Full Text Available In this study, a PPS/MWCNTs composite was prepared with poly(phenylene sulfide (PPS, as well as pristine and covalent functionalized multi-walled carbon nanotubes (MWCNTs via melt-blending techniques. Moreover, the dispersion of the MWCNTs on the PPS matrix was improved by covalent functionalization as can be seen from a Field-Emission Scanning Electron Microscope (FE-SEM images. The thermal properties of the PPS/MWCNTs composites were characterized using a thermal conductivity analyzer, and a differential scanning calorimeter (DSC. To analyze the crystallization behavior of polymers under conditions similar with those in industry, the non-isothermal crystallization behaviors of the PPS/MWCNTs composites were confirmed using various kinetic equations, such as the modified Avrami equation and Avrami-Ozawa combined equation. The crystallization rate of PPS/1 wt % pristine MWCNTs composite (PPSP1 was faster because of the intrinsic nucleation effect of the MWCNTs. However, the crystallization rates of the composites containing covalently-functionalized MWCNTs were slower than PPSP1 because of the destruction of the MWCNTs graphitic structure via covalent functionalization. Furthermore, the activation energies calculated by Kissinger’s method were consistently decreased by covalent functionalization.

  16. Diffusion and phase transformation behavior in poly-synthetically-twinned (PST) titanium-aluminum/titanium diffusion couple

    Science.gov (United States)

    Pan, Ling

    Motivated by the great potential applications of gamma titanium aluminide based alloys and the important effect of diffusion on the properties of gamma-TiAl/alpha2-Ti3Al two-phase lamellar structure, we conduct this thesis research to explore the microstructural evolution and interdiffusion behavior, and their correlations in multi-phase solid state diffusion couples made up of pure titanium and polysynthetically-twinned (PST) Ti-49.3 at.% Al "single" crystal, in the temperature range of 973--1173 K. The diffusion couples are prepared by high vacuum hot-pressing, with the diffusion direction parallel to the lamellar planes. Scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high-resolution transmission electron microscopy (HRTEM) are employed to observe the microstructure at various interfaces/interphases. A reaction zone (RZ) of polycrystalline alpha 2-Ti3Al phase forms along the PST Ti-Al/Ti bonding interface having a wavy interface with the PST crystal and exhibits deeper penetration in alpha2 lamellae, consisting of many fine alpha2 and secondary gamma laths, than in primary gamma lamellae. Direct measurement of the RZ thickness on SEM back-scattered electron images reveals a parabolic growth of the RZ, indicating a macroscopically diffusion-controlled growth. Concentration profiles from Ti, through the RZ, into the alpha2 lamellae of the PST crystal are measured by quantitative energy-dispersive x-ray spectroscopy (EDS) in a scanning transmission electron microscope (STEM). A plateau of composition adjacent to the RZ/(mixed alpha2 lath in PST) interface forms in the deeply penetrated RZ grains, implying a diffusion barrier crossing the interface and some extent of interface control in the RZ grain growth. The interdiffusion coefficient is evaluated both independent of composition and as a function of composition. No significant concentration dependence of the interdiffusion coefficients is observed using Boltzmann-Matano analysis

  17. Understanding metastable phase transformation during crystallization of RDX, HMX and CL-20: experimental and DFT studies.

    Science.gov (United States)

    Ghosh, Mrinal; Banerjee, Shaibal; Shafeeuulla Khan, Md Abdul; Sikder, Nirmala; Sikder, Arun Kanti

    2016-09-14

    Multiphase growth during crystallization severely affects deliverable output of explosive materials. Appearance and incomplete transformation of metastable phases are a major source of polymorphic impurities. This article presents a methodical and molecular level understanding of the metastable phase transformation mechanism during crystallization of cyclic nitramine explosives, viz. RDX, HMX and CL-20. Instantaneous reverse precipitation yielded