Formation of co-crystals: Kinetic and thermodynamic aspects

Science.gov (United States)

Gagnière, E.; Mangin, D.; Puel, F.; Rivoire, A.; Monnier, O.; Garcia, E.; Klein, J. P.

2009-04-01

Co-crystallisation is a recent method of great interest for the pharmaceutical industry, since pharmaceutical co-crystals represent useful materials for drug products. In this study, an active pharmaceutical ingredient (carbamazepine (CBZ)) co-crystallized with a vitamin (nicotinamide (NCT)) was chosen as a model substance. This work was focused on the construction of a phase diagram for the system CBZ/NCT, split in six domains for kinetic reasons (the different solid phases which might appear during the crystallisation) and in four domains according to thermodynamic aspects (the stable final phase obtained). Although co-crystals are not ionic compounds, the supersaturation of co-crystals can be evaluated by considering the solubility product. Batch crystallisation operations were carried out in a stirred vessel equipped with an in situ video probe. This latter device was a powerful analysis tool to monitor the CBZ/NCT co-crystals and single CBZ crystals since these two crystalline phases grown in ethanol exhibited needle and platelet habits. As concerns kinetics, the different solid phases which might appear during the experiments were observed and competed against each others. In accordance with thermodynamics, the stable solid form was obtained at the end of the operation. Finally some preliminary results indicate that the nucleation of co-crystals may be favoured by the presence of CBZ crystals. Epitaxial relationships between CBZ/NCT co-crystals and CBZ crystals were suspected.

Formation and evaluation of convex-curved crystals of lithium fluoride for use in analyzing x-ray spectra

International Nuclear Information System (INIS)

Sellick, B.O.

1976-01-01

Lithium fluoride as received from the vendor in boule form is 38 x 38 x 13 mm thick. This block is cleaved to wafers of the desired thickness, x-ray-evaluated for ''d'' spacing and greatest intensity, bent to the required radius, and then acid-etched to remove foreign material. The diffraction and dispersion characteristics of a wafer are analyzed using well-collimated tungsten x rays that strike the crystal and are diffracted onto no-screen x-ray film. If the crystal is satisfactory, it is mounted in a spectrogoniometer and rotated through an x-ray beam while a detector is set at the optimized angle for the diffracted x rays. The average intensity across the length of the crystal is recorded by multichannel scaling. Any imperfections appear as peaks or dips compared to the average intensity. The crystal next goes to a 10-channel, filter-fluorescer x-ray unit that compares zero-order intensity to diffracted Kα and Kβ intensity. Counts for 100-s intervals are taken in groups of three and averaged. Correction factors for instrument geometry, air, pinhole diameter at zero order, Kα-Kβ, barometric pressure, temperature, etc., are added to the efficiency calculations to obtain the crystal efficiency (epsilon) vs keV data. The crystal is mounted in the spectrograph or spectrometer and calibrated to either the detector or film plane by using direct radiation with proper x-ray filters or absorbers. The crystal is then ready for use

Nanodefect formation in LiF crystals under gamma irradiation

International Nuclear Information System (INIS)

Mussaeva, M.A.; Ibragimova, Eh.M.; Kalanov, M.U.; Muminov, M.I.

2006-01-01

One studied the spectra of absorption and of photoluminescence, microhardness and performed X-ray structure analysis of gamma-irradiated LiF crystals in a shutdown reactor and in 60 Co source when gamma-radiation dose rate was equal to 7.65 Gy/s. In addition to formation of point and combined radiation defects one detected the presence of the gamma-irradiation induced 28 nm size nanoparticles of LiOH phase in Li sublattice. Formation of defects is shown to occur more efficiently in a shutdown reactor in contrast to 60 Co source [ru

Crystallization and preliminary X-ray analysis of formate oxidase, an enzyme of the glucose–methanol–choline oxidoreductase family

International Nuclear Information System (INIS)

Maeda, Yoshifumi; Doubayashi, Daiju; Ootake, Takumi; Oki, Masaya; Mikami, Bunzo; Uchida, Hiroyuki

2010-01-01

Formate oxidase from A. oryzae RIB40 was crystallized and diffraction data were collected to a resolution of 2.4 Å. Formate oxidase (FOD), which catalyzes the oxidation of formate to yield carbon dioxide and hydrogen peroxide, belongs to the glucose–methanol–choline oxidoreductase (GMCO) family. FOD from Aspergillus oryzae RIB40, which has a modified FAD as a cofactor, was crystallized at 293 K by the hanging-drop vapour-diffusion method. The crystal was orthorhombic and belonged to space group C222 1 . Diffraction data were collected from a single crystal to 2.4 Å resolution

Massive Formation of Equiaxed Crystals by Avalanches of Mushy Zone Segments

Science.gov (United States)

Ludwig, A.; Stefan-Kharicha, M.; Kharicha, A.; Wu, M.

2017-06-01

It is well known that the growth and motion of equiaxed crystals govern important microstructural features, especially in larger castings such as heavy ingots. To determine the origin of the equiaxed crystals, heterogeneous nucleation, and/or fragmentation of dendrite arms from columnar regions are often discussed. In the present study, we demonstrate that under certain conditions relatively large areas of mushy regions slide downward and form spectacular crystal avalanches. These avalanches crumble into thousands of dendritic fragments, whereby the larger fragments immediately sediment and the smaller proceed to behave as equiaxed crystals. Traces of such crystal avalanches can be seen by conspicuous equiaxed layers in the lower part of the casting. From the arguments in the discussion, it is believed that such a phenomenon may occur in alloys which reveal an upward solutal buoyancy in the interdendritic mush. This would include certain steels and other alloys such as Cu-Al, Pb-Sn, or Ni-Al-alloys. Moreover, the occurrence of crystal avalanches contribute to the formation of V-segregations.

Formation of oriented nitrides by N+ ion implantation in iron single crystals

International Nuclear Information System (INIS)

Costa, A.R.G.; Silva, R.C. da; Ferreira, L.P.; Carvalho, M.D.; Silva, C.; Franco, N.; Godinho, M.

2014-01-01

Iron single crystals were implanted with nitrogen at room temperature, with a fluence of 5×10 17 cm −2 and 50 keV energy, to produce iron nitride phases and characterize the influence of the crystal orientation. The stability and evolution of the nitride phases and diffusion of implanted nitrogen were studied as a function of successive annealing treatments at 250 °C in vacuum. The composition, structure and magnetic properties were characterized using RBS/channeling, X-Ray Diffraction, Magnetic Force Microscopy, Magneto-optical Kerr Effect and Conversion Electron Mössbauer Spectroscopy. In the as-implanted state the formation of Fe 2 N phase was clearly identified in all single crystals. This phase is not stable at 250 °C and annealing at this temperature promotes the formation of ε-Fe 3 N, or γ′-Fe 4 N, depending on the orientation of the substrate. - Highlights: • Oriented magnetic iron nitrides were obtained by nitrogen implantation into iron single crystals. • The stable magnetic nitride phase at 250 °C depends on the orientation of the host single crystal, being γ'-Fe 4 N or ε-Fe 3 N. • The easy magnetization axis was found to lay in the (100) plane for cubic γ'-Fe 4 N and out of (100) plane for hexagonal ε-Fe 3 N

General principles for the formation of dust self-organizing structures. Dust collective attraction and plasma crystal formation

International Nuclear Information System (INIS)

Tsytovich, V.N.

2005-01-01

It is demonstrated that a homogeneous dusty plasma is universally unstable to form structures. The effect of collective grain attraction is a basic phenomenon for the proposed new paradigm (general principles) for the plasma crystal formation

Formation of 3D cholesterol crystals from 2D nucleation sites in lipid bilayer membranes: implications for atherosclerosis.

Science.gov (United States)

Varsano, Neta; Fargion, Iael; Wolf, Sharon G; Leiserowitz, Leslie; Addadi, Lia

2015-02-04

Atherosclerosis is the major precursor of cardiovascular disease. The formation of cholesterol crystals in atherosclerotic plaques is associated with the onset of acute pathology. The cholesterol crystals induce physical injury in the plaque core, promoting cell apoptosis and triggering an increased inflammatory response. Herein we address the question of how cholesterol crystal formation occurs in atherosclerosis. We demonstrate that three-dimensional (3D) cholesterol crystals can undergo directed nucleation from bilayer membranes containing two-dimensional (2D) cholesterol crystalline domains. We studied crystal formation on supported lipid bilayers loaded with exogenous cholesterol and labeled using a monoclonal antibody that specifically recognizes ordered cholesterol arrays. Our findings show that 3D crystals are formed exclusively on the bilayer regions where there are segregated 2D cholesterol crystalline domains and that they form on the domains. This study has potentially significant implications for our understanding of the crucial step in the mechanism by which atherosclerotic lesions form.

New Paradigm for Plasma Crystal Formation with weak grain interaction

International Nuclear Information System (INIS)

Tsytovich, V.N.; Morfill, G.E.

2005-01-01

New results for non-linear grain screening, non-linear ion drag and non-linear collective attractions appropriate for existing experiments are used for the first time together to explain the observed phenomena of plasma condensation. Based on the physics of collective non-linear grain attraction a paradigm for plasma crystal formation is formulated according to which plasma the crystal formation is due to localization of grains in weak non-linear collective attraction wells. Nonlinearity in screening is an important feature of new paradigm and takes into account that the grain charges are large. The physical consequence of large non-linearity is the presence of relative large attraction potential well at distances several times larger then the non-linear screening radius. Calculated location of the potential well is of the order of the observed inter-grain distances in plasma crystals and the calculated deepness of the potential well determining the temperature of phase transition is close to that observed. The calculations of the deepness of the attraction collective well and the critical value of the coupling constant are performed using an assumption that the collective attraction length is larger than the non-linear screening length. The concept of collective grain interaction in complex plasmas is considered for the case where the non-linear screening is fully determining the collective attraction well

Formation of Coulomb crystal in presence of attractive overlapping Debye sphere potential

International Nuclear Information System (INIS)

Baruah, Swati; Das, Nilakshi

2011-01-01

The role of attractive overlapping Debye sphere (ODS) potential on dust crystal formation has been investigated by using molecular dynamics code. A comparative study on plasma crystal formation has been made between Yukawa and coupled Yukawa-ODS potential by calculating pair-correlation function, for different values of Coulomb coupling parameter Γ and screening parameter κ. From our study, it is seen that the attractive ODS potential becomes dominant beyond a critical radius than that of the Yukawa potential. This leads to the fact that the effect due to combined Yukawa-ODS potential depends more sensitively on κ. From the comparison of the results for Yukawa and ODS potential with experimental results, it is observed that a close agreement is obtained for attractive ODS potential.

Matrix Gla Protein is Involved in Crystal Formation in Kidney of Hyperoxaluric Rats

Directory of Open Access Journals (Sweden)

Xiuli Lu

2013-02-01

Full Text Available Background: Matrix Gla protein (MGP is a molecular determinant regulating vascular calcification of the extracellular matrix. However, it is still unclear how MGP may be invovled in crystal formation in the kidney of hyperoxaluric rats. Methods: Male Sprague-Dawley rats were divided into the hyperoxaluric group and control group. Hyperoxaluric rats were administrated by 0.75% ethylene glycol (EG for up to 8 weeks. Renal MGP expression was detected by the standard avidin-biotin complex (ABC method. Renal crystal deposition was observed by a polarizing microscope. Total RNA and protein from the rat kidney tissue were extracted. The levels of MGP mRNA and protein expression were analyzed by the real-time polymerase chain reaction (RT-PCR and Western blot. Results: Hyperoxaluria was induced successfully in rats. The MGP was polarly distributed, on the apical membrane of renal tubular epithelial cells, and was found in the ascending thick limbs of Henle's loop (cTAL and the distal convoluted tubule (DCT in hyperoxaluric rats, its expression however, was present in the medullary collecting duct (MCD in stone-forming rats. Crystals with multilaminated structure formed in the injurious renal tubules with lack of MGP expression.MGP mRNA expression was significantly upregulated by the crystals' stimulations. Conclusion: Our results suggested that the MGP was involved in crystals formation by the continuous expression, distributing it polarly in the renal tubular cells and binding directly to the crystals.

Photorefractive grating formation in piezoelectric La3Ga5SiO14:Pr3+ crystals

DEFF Research Database (Denmark)

Dam-Hansen, C.; Johansen, P.M.; Fridkin, V.M.

1996-01-01

Photorefractive grating formation and erasure in piezoelectric crystals of La3Ga5SiO14:Pr3+ are presented. The specific photoconductivity and the photorefractive sensitivity are determined. The polarization dependence of the grating formation due to the bulk photovoltaic effect is shown and compa......Photorefractive grating formation and erasure in piezoelectric crystals of La3Ga5SiO14:Pr3+ are presented. The specific photoconductivity and the photorefractive sensitivity are determined. The polarization dependence of the grating formation due to the bulk photovoltaic effect is shown...... and compared favorably with the theoretical expression. This photorefractive material provides a possibility for separate investigations of the charge migration processes responsible for the photorefractive effect. (C) 1996 American Institute of Physics....

Formation of nano-hydroxyapatite crystal in situ in chitosan-pectin polyelectrolyte complex network

International Nuclear Information System (INIS)

Li Junjie; Zhu Dunwan; Yin Jianwei; Liu Yuxi; Yao Fanglian; Yao Kangde

2010-01-01

Hydroxyapatite (HA)/polysaccharide composites have been widely used in bone tissue engineering due to their chemical similarity to natural bone. Polymer matrix-mediated synthesis of nano-hydroxyapatite is one of the simplest models for biomimetic. In this article, the nano-hydroxyapatite/chitosan-pectin (nHCP) composites were prepared through in situ mineralization of hydroxyapatite in chitosan-pectin polyelectrolyte complex (PEC) network. The formation processes of nHCP were investigated by X-ray diffraction (XRD) analysis. The interactions between nHA crystal and chitosan-pectin PEC networks were studied using Fourier Transform Infrared Spectroscopy (FTIR) and Differential Scanning Calorimetry (DSC). The morphology and structure of nHA crystal were characterized by XRD and Transmission Electron Microscope (TEM). Results suggested that the interfacial interactions between nano-hydroxyapatite crystal and chitosan-pectin PEC network assist the site specific nucleation and growth of nHA nanoparticles. The nHA crystals grow along the c-axis. In this process, pH value is the main factor to control the nucleation and growth of nHA crystal in chitosan-pectin PEC networks, because both the interactions' strength between nHA crystal and chitosan-pectin and diffusion rate of inorganic ions depend on the pH value of the reaction system. Apart from the pH value, the chitosan/pectin ratio and [Ca 2+ ] also take important effects on the formation of nHA crystal. An effective way to control the size of nHA crystal is to adjust the content of pectin and [Ca 2+ ]. It is interesting that the Zeta potential of nHCP composites is about - 30 mV when the chitosan/pectin ratio ≤ 1:1, and the dispersion solution of nHCP composites has higher stability, which provides the possibility to prepare 3D porous scaffolds with nHCP for bone tissue engineering.

Formation of nano-hydroxyapatite crystal in situ in chitosan-pectin polyelectrolyte complex network

Energy Technology Data Exchange (ETDEWEB)

Li Junjie [Department of Polymer Science and Key Laboratory of Systems Bioengineering of Ministry of Education, School of Chemical Engineering and Technology, Tianjin University, Tianjin, 300072 (China); Research Institute of Polymeric Materials, Tianjin University, Tianjin, 300072 (China); Zhu Dunwan [Institute of Biomedical Engineering, Chinese Academy of Medical Sciences and Peking Union Medical College, Tianjin, 300072 (China); Yin Jianwei; Liu Yuxi [Department of Polymer Science and Key Laboratory of Systems Bioengineering of Ministry of Education, School of Chemical Engineering and Technology, Tianjin University, Tianjin, 300072 (China); Yao Fanglian, E-mail: yaofanglian@tju.edu.cn [Department of Polymer Science and Key Laboratory of Systems Bioengineering of Ministry of Education, School of Chemical Engineering and Technology, Tianjin University, Tianjin, 300072 (China); Yao Kangde [Research Institute of Polymeric Materials, Tianjin University, Tianjin, 300072 (China)

2010-07-20

Hydroxyapatite (HA)/polysaccharide composites have been widely used in bone tissue engineering due to their chemical similarity to natural bone. Polymer matrix-mediated synthesis of nano-hydroxyapatite is one of the simplest models for biomimetic. In this article, the nano-hydroxyapatite/chitosan-pectin (nHCP) composites were prepared through in situ mineralization of hydroxyapatite in chitosan-pectin polyelectrolyte complex (PEC) network. The formation processes of nHCP were investigated by X-ray diffraction (XRD) analysis. The interactions between nHA crystal and chitosan-pectin PEC networks were studied using Fourier Transform Infrared Spectroscopy (FTIR) and Differential Scanning Calorimetry (DSC). The morphology and structure of nHA crystal were characterized by XRD and Transmission Electron Microscope (TEM). Results suggested that the interfacial interactions between nano-hydroxyapatite crystal and chitosan-pectin PEC network assist the site specific nucleation and growth of nHA nanoparticles. The nHA crystals grow along the c-axis. In this process, pH value is the main factor to control the nucleation and growth of nHA crystal in chitosan-pectin PEC networks, because both the interactions' strength between nHA crystal and chitosan-pectin and diffusion rate of inorganic ions depend on the pH value of the reaction system. Apart from the pH value, the chitosan/pectin ratio and [Ca{sup 2+}] also take important effects on the formation of nHA crystal. An effective way to control the size of nHA crystal is to adjust the content of pectin and [Ca{sup 2+}]. It is interesting that the Zeta potential of nHCP composites is about - 30 mV when the chitosan/pectin ratio {<=} 1:1, and the dispersion solution of nHCP composites has higher stability, which provides the possibility to prepare 3D porous scaffolds with nHCP for bone tissue engineering.

Formation of anorthosite on the Moon through magma ocean fractional crystallization

Directory of Open Access Journals (Sweden)

Tatsuyuki Arai

2017-03-01

Full Text Available Lunar anorthosite is a major rock of the lunar highlands, which formed as a result of plagioclase-floatation in the lunar magma ocean (LMO. Constraints on the sufficient conditions that resulted in the formation of a thick pure anorthosite (mode of plagioclase >95 vol.% is a key to reveal the early magmatic evolution of the terrestrial planets. To form the pure lunar anorthosite, plagioclase should have separated from the magma ocean with low crystal fraction. Crystal networks of plagioclase and mafic minerals develop when the crystal fraction in the magma (φ is higher than ca. 40–60 vol.%, which inhibit the formation of pure anorthosite. In contrast, when φ is small, the magma ocean is highly turbulent, and plagioclase is likely to become entrained in the turbulent magma rather than separated from the melt. To determine the necessary conditions in which anorthosite forms from the LMO, this study adopted the energy criterion formulated by Solomatov. The composition of melt, temperature, and pressure when plagioclase crystallizes are constrained by using MELTS/pMELTS to calculate the density and viscosity of the melt. When plagioclase starts to crystallize, the Mg# of melt becomes 0.59 at 1291 °C. The density of the melt is smaller than that of plagioclase for P > 2.1 kbar (ca. 50 km deep, and the critical diameter of plagioclase to separate from the melt becomes larger than the typical crystal diameter of plagioclase (1.8–3 cm. This suggests that plagioclase is likely entrained in the LMO just after the plagioclase starts to crystallize. When the Mg# of melt becomes 0.54 at 1263 °C, the density of melt becomes larger than that of plagioclase even for 0 kbar. When the Mg# of melt decreases down to 0.46 at 1218 °C, the critical diameter of plagioclase to separate from the melt becomes 1.5–2.5 cm, which is nearly equal to the typical plagioclase of the lunar anorthosite. This suggests that plagioclase could separate from the

Influence of crystal orientation on the formation of femtosecond laser-induced periodic surface structures and lattice defects accumulation

Energy Technology Data Exchange (ETDEWEB)

Sedao, Xxx; Garrelie, Florence, E-mail: florence.garrelie@univ-st-etienne.fr; Colombier, Jean-Philippe; Reynaud, Stéphanie; Pigeon, Florent [Université de Lyon, CNRS, UMR5516, Laboratoire Hubert Curien, Université de Saint Etienne, Jean Monnet, F-42023 Saint-Etienne (France); Maurice, Claire; Quey, Romain [Ecole Nationale Supérieure des Mines de Saint-Etienne, CNRS, UMR5307, Laboratoire Georges Friedel, F-42023 Saint-Etienne (France)

2014-04-28

The influence of crystal orientation on the formation of femtosecond laser-induced periodic surface structures (LIPSS) has been investigated on a polycrystalline nickel sample. Electron Backscatter Diffraction characterization has been exploited to provide structural information within the laser spot on irradiated samples to determine the dependence of LIPSS formation and lattice defects (stacking faults, twins, dislocations) upon the crystal orientation. Significant differences are observed at low-to-medium number of laser pulses, outstandingly for (111)-oriented surface which favors lattice defects formation rather than LIPSS formation.

Investigation of the cluster formation in lithium niobate crystals by computer modeling method

Energy Technology Data Exchange (ETDEWEB)

Voskresenskii, V. M.; Starodub, O. R., E-mail: ol-star@mail.ru; Sidorov, N. V.; Palatnikov, M. N. [Russian Academy of Sciences, Tananaev Institute of Chemistry and Technology of Rare Earth Elements and Mineral Raw Materials, Kola Science Centre (Russian Federation)

2017-03-15

The processes occurring upon the formation of energetically equilibrium oxygen-octahedral clusters in the ferroelectric phase of a stoichiometric lithium niobate (LiNbO{sub 3}) crystal have been investigated by the computer modeling method within the semiclassical atomistic model. An energetically favorable cluster size (at which a structure similar to that of a congruent crystal is organized) is shown to exist. A stoichiometric cluster cannot exist because of the electroneutrality loss. The most energetically favorable cluster is that with a Li/Nb ratio of about 0.945, a value close to the lithium-to-niobium ratio for a congruent crystal.

Influence of submelting on formation of single crystals of nickel alloy with cellular-dendritic structure

International Nuclear Information System (INIS)

Pankin, G.N.; Esin, V.O.; Ponomarev, V.V.

1996-01-01

A study was made into specific features of cellular - dendritic structure formation in single crystals of nickel base alloy ZhS26 which had been crystallized following the pattern of solid solution. The single crystals in growing were subjected to periodic partial remelting to suppress the transition of cellular structure into a cellular - dendritic one during directional solidification. The results obtained showed the possibility to stabilize cellular growth of solid solution by way of inversion of interphase surface motion in the process of directional crystallization. 4 refs.; 5 figs

Application of liquid crystals in thermal nondestructive evaluation

International Nuclear Information System (INIS)

Panakal, J.P.; Mukherjee, S.; Ghosh, J.K.

1983-01-01

In recent years, thermal nondestructive evaluation using Cholestric liquid crystals have found wide applications in industry. Thermography using Cholesteric liquid crystals can be used for detection of nonbonds in metallic composites, hot spots in electronic circuits and preliminary examination of welded pressure vessels. This paper presents the results of experiments on thermography of components using encapsulated liquid crystals. (author)

Formation and growth mechanism of TiC crystal in TiCp/Ti composites

Institute of Scientific and Technical Information of China (English)

金云学; 王宏伟; 曾松岩; 张二林

2002-01-01

Ti-C and Ti-Al-C alloys were prepared using gravity and directional solidification processes. Morphologies of TiC crystal were investigated by using SEM, XRD and EDX. Also, the formation and growth mechanism of TiC crystal have been analyzed on the basis of coordination polyhedron growth unit theory. During solidification of titanium alloys, the coordination polyhedron growth unit is TiC6. TiC6 growth units stack in a linking mode of edge to edge and form octahedral TiC crystal with {111} planes as present faces. Although the growing geometry of TiC crystal is decided by its lattice structure, the final morphology of TiC crystal depends on the effects of its growth environment. In solute concentration distribution, the super-saturation of C or TiC6 at the corners of octahedral TiC crystal is much higher than that of edges and faces of octahedral TiC crystal. At these corners the driving force for crystal growth is greater and the interface is instable which contribute to quick stacking rate of growth units at these corners and result in secondary dendrite arms along TiC crystallographic 〈100〉 directions. TiC crystal finally grows to be dendrites.

Bubble formation upon crystallization of high nitrogen iron base alloys

International Nuclear Information System (INIS)

Svyazhin, A.G.; Sivka, E.; Skuza, Z.

2000-01-01

A study is made into the conditions of nitrogen bubble formation during crystallization of unalloyed iron, alloys of Fe-O, Fe-O-S systems, steels 1Kh13, 0Kh18N9 and a two-phase Fe-11%Cr-1%Mo-0.2%V steel. It is revealed that the amount of bubbles in a high nitrogen steel casting increases with a degree of nitrogen supersaturation and decreases with a cooling rate growth and with a rise of surfactant concentration in the metal. In sound castings a nitrogen content can be increased due to a cooling rate growth, nitrogen dilution with inert gas, an increase of nitrogen pressure during crystallization as well as due to the introduction of such surfactants as sulphur, selenium, tellurium, tin [ru

Equilibrium Crystal Shape of BaZrO{sub 3} and Space Charge Formation in the (011) Surface by Using Ab-Initio Thermodynamics

Energy Technology Data Exchange (ETDEWEB)

Kim, Ji-Su; Kim, Yeong-Cheol [Korea University of Technology and Education, Cheonan (Korea, Republic of)

2017-01-15

We investigated the equilibrium crystal shape of BaZrO{sub 3} and the space charge formation in an O-terminated (011) surface by using ab-initio thermodynamics. Twenty-two low-indexed (001), (011), and (111) surfaces were calculated to analyze their surface Gibbs-free energy under the stable condition of BaZrO{sub 3}. Based on the Gibbs-Wulff theorem, the equilibrium crystal shape of BaZrO{sub 3} changed from cubic to decaoctahedral with decreasing Ba chemical potential. The dominant facets of BaZrO{sub 3} were {001} and {011}, which were well consistent with experimental observations. The space charge formation in the (011) surface was evaluated using the space-charge model. We found that the (011) surface was even more resistive than the (001) surface.

Formation of 1,2-diaminomaleicdinitrile crystals in radiolized solid hydrogen cyanide

International Nuclear Information System (INIS)

Mozhaev, P.S.; Kichigina, G.A.; Aliev, Z.G.; Kiryukhin, D.P.; Atovmyan, L.O.; Barkalov, I.M.

1994-01-01

A study was made on possibility of formation of 1,2-diaminomaleicdinitrile and mechanism of its occurrence in space environment. It was shown in experiments, that 1,2-diaminomaleicdinitrile crystals formed in solid HCN matrix, decomposed radiolytically at 77 K by 60 Co γ-rays with dose of 800 kGy during its sublimation T ≤ 260 K along with conjugated polymer of -C=N-C=N- type. It is shown that radiolysis of solid hydrocyanic acid results to formation of 1,2-diaminomaleicdinitrile with radiation yield G > 2. 11 refs., 1 fig., 1 tab

The tensile effect on crack formation in single crystal silicon irradiated by intense pulsed ion beam

Science.gov (United States)

Liang, Guoying; Shen, Jie; Zhang, Jie; Zhong, Haowen; Cui, Xiaojun; Yan, Sha; Zhang, Xiaofu; Yu, Xiao; Le, Xiaoyun

2017-10-01

Improving antifatigue performance of silicon substrate is very important for the development of semiconductor industry. The cracking behavior of silicon under intense pulsed ion beam irradiation was studied by numerical simulation in order to understand the mechanism of induced surface peeling observed by experimental means. Using molecular dynamics simulation based on Stillinger Weber potential, tensile effect on crack growth and propagation in single crystal silicon was investigated. Simulation results reveal that stress-strain curves of single crystal silicon at a constant strain rate can be divided into three stages, which are not similar to metal stress-strain curves; different tensile load velocities induce difference of single silicon crack formation speed; the layered stress results in crack formation in single crystal silicon. It is concluded that the crack growth and propagation is more sensitive to strain rate, tensile load velocity, stress distribution in single crystal silicon.

Formation of 1,2-diaminomaleodinitrile crystals in radiolyzed solid hydrocyanic acid

International Nuclear Information System (INIS)

Mozhaev, P.S.; Kichigina, G.A.; Aliev, Z.G.; Kiryukhin, D.P.; Atovmyan, L.O.; Barkalov, I.M.

1994-01-01

Hydrocyanic molecules, HCN, are widely found in various extraterrestrial objects and have come to be regarded as the building blocks of chemical evolution, because they convert directly to more complex organic compounds, such as amino acids, nucleotides, and proteins. While observing the low-temperature conversion of radiolyzed solid HCN, the authors noted the formation of an amorphous polymer and the nucleation and growth of needle shaped crystals. The crystals were studied by X-ray diffraction methods and believed to be formed by 1,2-diaminomaleodinitrile, a tetramer of HCN, arising by recombination of aminocyanocarbene diradicals. Cobalt 60 was used as the radiation source, preirradiating with a 800 kGy dose a solid HCN sample at 77K

Influence of chromium ions on the color center formation in crystals with garnet structure

International Nuclear Information System (INIS)

Ashurov, M.Kh.; Zharikov, E.V.; Laptev, V.V.

1985-01-01

The in fluence of chromium ions on the color center formation in crystals of yttrium-aluminium garnet, gadolinium-gallium garnet, gadolinium-scandium-gallium garnet, and yttrium-scandium-gallium garnet is studied. In addition to basic activator ions these crystals were coactivated also by chromium ions with two wide bands of fundamental absorption within the range of pump tube radiation with maximas close to 450 and 650 nm. The color centers for γ-irradiated samples were observed at 300 K by measuring the adsorption spectra within the 300-800 nm range. Temperature of destruction of the charge trapping sites was determined by the method of thermoluminescence measuring in the 100-500 K temperature range. Detection of recombination center luminescence was accomplished within the 200-1600 nm wavelength range. Chromium ions are found to hinder the formation of color centers as a result of γ-irradiation at room and higher temperatures within the wavelength range over 300 nm; i.e. Cr 3+ ions increase radiation resistance of all the investigated crystals

Formation of temperature fields in doped anisotropic crystals under spatially inhomogeneous light beams passing through them

Energy Technology Data Exchange (ETDEWEB)

Zaitseva, E. V.; Markelov, A. S.; Trushin, V. N., E-mail: trushin@phys.unn.ru; Chuprunov, E. V. [Nizhni Novgorod State University (Russian Federation)

2013-12-15

The features of formation of thermal fields in potassium dihydrophosphate crystal doped with potassium permanganate under a 532-nm laser beam passing through it have been investigated. Data on the influence of birefringence on the temperature distribution in an anisotropic crystal whose surface is illuminated by a spatially modulated light beam are presented.

Evaluation of Various Synthesis Methods for Calcite-Precipitated Calcium Carbonate (PCC) Formation

International Nuclear Information System (INIS)

Ramakrishna, Chilakala; Thenepalli, Thriveni; Ahn, Ji Whan

2017-01-01

This review paper evaluates different kinds of synthesis methods for calcite precipitated calcium carbonates by using different materials. The various processing routes of calcite with different compositions are reported and the possible optimum conditions required to synthesize a desired particle sizes of calcite are predicted. This paper mainly focuses on that the calcite morphology and size of the particles by carbonation process using loop reactors. In this regard, we have investigated various parameters such as CO 2 flow rate, Ca (OH) 2 concentration, temperature, pH effect, reaction time and loop reactor mechanism with orifice diameter. The research results illustrate the formation of well-defined and pure calcite crystals with controlled crystal growth and particle size, without additives or organic solvents. The crystal growth and particle size can be controlled, and smaller sizes are obtained by decreasing the Ca (OH) 2 concentration and increasing the CO 2 flow rate at lower temperatures with suitable pH. The crystal structure of obtained calcite was characterized by using X-ray diffraction method and the morphology by scanning electron microscope (SEM). The result of x-ray diffraction recognized that the calcite phase of calcium carbonate was the dominating crystalline structure.

Defect formation and magnetic properties of Co-doped GaN crystal and nanowire

International Nuclear Information System (INIS)

Shi, Li-Bin; Liu, Jing-Jing; Fei, Ying

2013-01-01

Theoretical calculation based on density functional theory (DFT) and generalized gradient approximation (GGA) has been carried out in studying defect formation and magnetic properties of Co doped GaN crystal and nanowire (NW). Co does not exhibit site preference in GaN crystal. However, Co occupies preferably surface sites in GaN NW. Transition level of the defect is also investigated in GaN crystal. We also find that Co Ga (S) in NW does not produce spin polarization and Co Ga (B) produces spontaneous spin polarization. Ferromagnetic (FM) and antiferromagnetic (AFM) couplings are analyzed by six different configurations. The results show that AFM coupling is more stable than FM coupling for Co doped GaN crystal. It is also found from Co doped GaN NW calculation that the system remains FM stability for majority of the configurations. Magnetic properties in Co doped GaN crystal can be mediated by N and Ga vacancies. The FM and AFM stability can be explained by Co 3d energy level coupling

Unsaturated glycerophospholipids mediate heme crystallization: biological implications for hemozoin formation in the kissing bug Rhodnius prolixus.

Directory of Open Access Journals (Sweden)

Renata Stiebler

Full Text Available Hemozoin (Hz is a heme crystal produced by some blood-feeding organisms, as an efficient way to detoxify heme derived from hemoglobin digestion. In the triatomine insect Rhodnius prolixus, Hz is essentially produced by midgut extracellular phospholipid membranes known as perimicrovillar membranes (PMVM. Here, we investigated the role of commercial glycerophospholipids containing serine, choline and ethanolamine as headgroups and R. prolixus midgut lipids (RML in heme crystallization. All commercial unsaturated forms of phospholipids, as well as RML, mediated fast and efficient β-hematin formation by means of two kinetically distinct mechanisms: an early and fast component, followed by a late and slow one. The fastest reactions observed were induced by unsaturated forms of phosphatidylethanolamine (uPE and phosphatidylcholine (uPC, with half-lives of 0.04 and 0.7 minutes, respectively. β-hematin crystal morphologies were strikingly distinct among groups, with uPE producing homogeneous regular brick-shaped crystals. Interestingly, uPC-mediated reactions resulted in two morphologically distinct crystal populations: one less representative group of regular crystals, resembling those induced by uPE, and the other largely represented by crystals with numerous sharp edges and tapered ends. Heme crystallization reactions induced by RML were efficient, with a heme to β-hematin conversion rate higher than 70%, but clearly slower (t1/2 of 9.9-17.7 minutes than those induced by uPC and uPE. Interestingly, crystals produced by RML were homogeneous in shape and quite similar to those mediated by uPE. Thus, β-hematin formation can be rapidly and efficiently induced by unsaturated glycerophospholipids, particularly uPE and uPC, and may play a role on biological heme crystallization in R. prolixus midgut.

Electron spectroscopy of the interface carbon layer formation on the cleavage surfaces of the layered semiconductor In4Se3 crystals

International Nuclear Information System (INIS)

Galiy, P.V.; Musyanovych, A.V.; Nenchuk, T.M.

2005-01-01

The results of the quantitative X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES) of the interface carbon layer formation on the cleavage surfaces of the layered semiconductor In 4 Se 3 crystals are presented. The carbon coating formation occurs as the result of interaction of the air and residual gases atmosphere in ultra high vacuum (UHV) Auger spectrometer chamber with atomic clean interlayer cleavage surfaces of the crystals. The kinetics and peculiarities of interfacial carbon layer formation on the cleavage surfaces of the crystals, elemental and phase composition of the interface have been studied by quantitative XPS, AES and mass-spectroscopy

Lattice Boltzmann Simulation of Kinetic Isotope Effect During Snow Crystal Formation

Science.gov (United States)

Lu, G.; Depaolo, D. J.; Kang, Q.; Zhang, D.

2007-12-01

The isotopic composition of precipitation, especially that of snow, plays a special role in the global hydrological cycle and in reconstruction of past climates using polar ice cores. The fractionation of the major water isotope species (HHO, HDO, HHO-18) during ice crystal formation is critical to understanding the global distribution of isotopes in precipitation. Ice crystal growth in clouds is traditionally treated with a spherically-symmetric steady state diffusion model, with semi-empirical modifications added to account for ventilation and for complex crystal morphology. Although it is known that crystal growth rate, which depends largely on the degree of vapor over- saturation, determines crystal morphology, there are no quantitative models that relate morphology to the vapor saturation factor. Since kinetic (vapor phase diffusion-controlled) isotopic fractionation also depends on growth rate, there should be direct relationships between vapor saturation, crystal morphology, and crystal isotopic composition. We use a 2D lattice Boltzmann model to simulate diffusion-controlled ice crystal growth from vapor- oversaturated air. In the model, crystals grow solely according to the diffusive fluxes just above the crystal surfaces, and hence crystal morphology arises from the initial and boundary conditions in the model and does not need to be specified a priori. Crystal growth patterns can be varied between random growth and deterministic growth (along the maximum concentration gradient for example). The input parameters needed are the isotope- dependent vapor deposition rate constant (k) and the water vapor diffusivity in air (D). The values of both k and D can be computed from kinetic theory, and there are also experimentally determined values of D. The deduced values of k are uncertain to the extent that the condensation coefficient for ice is uncertain. The ratio D/k is a length (order 1 micron) that determines the minimum scale of dendritic growth features

Theory of Vortex Crystal Formation in Two-Dimensional Turbulence

Science.gov (United States)

Jin, D. Z.

1999-11-01

The free relaxation of inviscid, incompressible 2D turbulence is often dominated by strong vortices (coherent patches of intense vorticity) that move chaotically and merge. However, recent experiments(K.S. Fine et al., Phys. Rev. Lett. 75), 3277 (1995). with pure electron plasmas have found that freely relaxing turbulent flows with a single sign of vorticity can spontaneously form ``vortex crystals'' -- symmetric, stable arrays of strong vortices that are immersed in a low vorticity background. In this talk we discuss how these complex equilibria can form from 2D turbulence. First, we formulate a statistical theory of the vortex crystals. We show that vortex crystals are well described as ``regional'' maximum fluid entropy (RMFE) states, which are equilibrium states reached through ergodic mixing of the background by the strong vortices.(D.Z. Jin and D.H.E. Dubin, Phys. Rev. Lett. 80), 4434 (1998). Given the dynamically conserved quantities as well as the number and the vorticity distributions of the strong vortices, the theory predicts the positions of the strong vortices and the coarse-grained vorticity distribution of the background. These predictions agree well with the observed vortex crystals. Second, we examine the formation process of the vortex crystals in more detail. In the RMFE theory, the vortex crystal equilibrium can only be predicted if the number Nc of the strong vortices in the final state is given. Here, we estimate Nc from the characteristics of the early turbulent flow. The estimate relies on the idea that vortex crystals form because the chaotic motions of the strong vortices are ``cooled'' due to mixing of the background by the vortices. When the rate of cooling is faster than the rate of pairwise mergers, the vortices fall into a crystal pattern before they can merge. We estimate the merger rate from the observed power law decay of the number of strong vortices in the early stages of the flow, and the cooling rate from the rate of mixing of

Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations

Science.gov (United States)

Ward, Logan; Liu, Ruoqian; Krishna, Amar; Hegde, Vinay I.; Agrawal, Ankit; Choudhary, Alok; Wolverton, Chris

2017-07-01

While high-throughput density functional theory (DFT) has become a prevalent tool for materials discovery, it is limited by the relatively large computational cost. In this paper, we explore using DFT data from high-throughput calculations to create faster, surrogate models with machine learning (ML) that can be used to guide new searches. Our method works by using decision tree models to map DFT-calculated formation enthalpies to a set of attributes consisting of two distinct types: (i) composition-dependent attributes of elemental properties (as have been used in previous ML models of DFT formation energies), combined with (ii) attributes derived from the Voronoi tessellation of the compound's crystal structure. The ML models created using this method have half the cross-validation error and similar training and evaluation speeds to models created with the Coulomb matrix and partial radial distribution function methods. For a dataset of 435 000 formation energies taken from the Open Quantum Materials Database (OQMD), our model achieves a mean absolute error of 80 meV/atom in cross validation, which is lower than the approximate error between DFT-computed and experimentally measured formation enthalpies and below 15% of the mean absolute deviation of the training set. We also demonstrate that our method can accurately estimate the formation energy of materials outside of the training set and be used to identify materials with especially large formation enthalpies. We propose that our models can be used to accelerate the discovery of new materials by identifying the most promising materials to study with DFT at little additional computational cost.

National Uranium Resource Evaluation: Crystal City Quadrangle, Texas

International Nuclear Information System (INIS)

Greimel, T.C.

1982-08-01

The uranium resources of the Crystal City Quadrangle, Texas, were evaluated to a depth of 1500 m using surface and subsurface geologic information. Uranium occurrences reported in the literature, in reports of the US Atomic Energy Commission and the US Geological Survey Computerized Resources Information Bank, were located, described, and sampled. Geochemical anomalies interpreted from hydrogeochemical and stream-sediment reconnaissance were also investigated and sampled in detail. Areas of uranium favorability in the subsurface were located through interpretation of lithofacies patterns and structure derived from electric-log data. Gamma-ray well logs and results of geochemical sample analyses were used as supportive data in locating these areas. Fifteen surface and subsurface favorable areas were delineated in the quadrangle. Eight are in fluvial and genetically associated facies of the Pliocene Goliad Sandstone, Miocene Oakville Sandstone, Miocene Catahoula Tuff, and Oligocene Frio Clay. One area encompasses strand plain-barrier bar, fluvial-deltaic, and lagoonal-margin facies of the Eocene Jackson Group. Two areas are in strand plain-barrier bar and probable fluvial facies of the Eocene Yegua Formation. Four areas are in fluvial-deltaic, barrier-bar, and lagoonal-margin facies of the Eocene Queen City Formation and stratigraphically equivalent units. Seventeen geologic units are considered unfavorable, and seven are unevaluated due to lack of data

Formation of classical crystals of dipolar particles in a helical geometry

DEFF Research Database (Denmark)

K. Pedersen, J.; V. Fedorov, D.; S. Jensen, A.

2014-01-01

We consider crystal formation of particles with dipole-dipole interactions that are confined to move in a one-dimensional helical geometry with their dipole moments oriented along the symmetry axis of the confining helix. The stable classical lowest energy configurations are found to be chain......-to-tail attraction in the system. The speed of sound propagates along the chains. It is independent of the number of chains although depending on geometry....

Evaluation of Various Synthesis Methods for Calcite-Precipitated Calcium Carbonate (PCC) Formation

Energy Technology Data Exchange (ETDEWEB)

Ramakrishna, Chilakala [Hanil Cement Corporation, Danyang (Korea, Republic of); Thenepalli, Thriveni; Ahn, Ji Whan [Korea Institute of Geoscience and Mineral Resources, Daejeon (Korea, Republic of)

2017-06-15

This review paper evaluates different kinds of synthesis methods for calcite precipitated calcium carbonates by using different materials. The various processing routes of calcite with different compositions are reported and the possible optimum conditions required to synthesize a desired particle sizes of calcite are predicted. This paper mainly focuses on that the calcite morphology and size of the particles by carbonation process using loop reactors. In this regard, we have investigated various parameters such as CO{sub 2} flow rate, Ca (OH){sub 2} concentration, temperature, pH effect, reaction time and loop reactor mechanism with orifice diameter. The research results illustrate the formation of well-defined and pure calcite crystals with controlled crystal growth and particle size, without additives or organic solvents. The crystal growth and particle size can be controlled, and smaller sizes are obtained by decreasing the Ca (OH){sub 2} concentration and increasing the CO{sub 2} flow rate at lower temperatures with suitable pH. The crystal structure of obtained calcite was characterized by using X-ray diffraction method and the morphology by scanning electron microscope (SEM). The result of x-ray diffraction recognized that the calcite phase of calcium carbonate was the dominating crystalline structure.

Modifying Formative Evaluation Techniques For Distance Education Class Evaluation

Directory of Open Access Journals (Sweden)

Scott L. WALKER

2005-10-01

Full Text Available Modifying Formative Evaluation Techniques For Distance Education Class Evaluation Assistant Professor Scott L. WALKERDepartment of GeographyTexas State UniversitySan Marcos, USA ABSTRACTPost-secondary classes are usually followed by mandatory summative evaluations, yet changes in teaching and course structure cannot be made with summative evaluations. Formative evaluations in online education can result in candid responses from students if a third-party facilitator is involved in the process. This paper presents a method for conducting formative evaluation in an online class by utilizing the assistance of a colleague. Results of one such evaluation are presented, as are its advantages and disadvantages.

Crystal structures of complexes of NAD+-dependent formate dehydrogenase from methylotrophic bacterium Pseudomonas sp. 101 with formate

International Nuclear Information System (INIS)

Filippova, E. V.; Polyakov, K. M.; Tikhonova, T. V.; Stekhanova, T. N.; Boiko, K. M.; Sadykhov, I. G.; Tishkov, V. I.; Popov, V. O.; Labru, N.

2006-01-01

Formate dehydrogenase (FDH) from the methylotrophic bacterium Pseudomonas sp. 101 catalyzes oxidation of formate to NI 2 with the coupled reduction of nicotinamide adenine dinucleotide (NAD + ). The three-dimensional structures of the apo form (the free enzyme) and the holo form (the ternary FDH-NAD + -azide complex) of FDH have been established earlier. In the present study, the structures of FDH complexes with formate are solved at 2.19 and 2.28 A resolution by the molecular replacement method and refined to the R factors of 22.3 and 20.5%, respectively. Both crystal structures contain four protein molecules per asymmetric unit. These molecules form two dimers identical to the dimer of the apo form of FDH. Two possible formatebinding sites are found in the active site of the FDH structure. In the complexes the sulfur atom of residue Cys354 exists in the oxidized state

Self-organization processes and nanocluster formation in crystal lattices by low-energy ion irradiation

International Nuclear Information System (INIS)

Tereshko, I.; Abidzina, V.; Tereshko, A.; Glushchenko, V.; Elkin, I.

2007-01-01

The goal of this paper is to study self-organization processes that cause nanostructural evolution in nonlinear crystal media. The subjects of the investigation were nonlinear homogeneous and heterogeneous atom chains. The method of computer simulation was used to investigate the interaction between low-energy ions and crystal lattices. It was based on the conception of three-dimensional lattice as a nonlinear atom chain system. We showed that that in homogeneous atom chains critical energy needed for self-organization processes development is less than for nonlinear atom chain with already embedded clusters. The possibility of nanostructure formation was studied by a molecular dynamics method of nonlinear oscillations in atomic oscillator systems of crystal lattices after their low-energy ion irradiation. (authors)

Liquid crystal droplet formation and anchoring dynamics in a microfluidic device

Science.gov (United States)

Steinhaus, Ben; Shen, Amy; Feng, James; Link, Darren

2004-11-01

Liquid crystal drops dispersed in a continuous phase of silicon oil are generated with a narrow distribution in droplet size in microfluidic devices both above and below the nematic to isotropic transition temperature. For these two cases, we observe not only the different LC droplet generation and coalescence dynamics, but also distinct droplet morphology. Our experiments show that the nematic liquid crystalline order is important for the LC droplet formation and anchoring dynamics.

Anodic processes in the chemical and electrochemical etching of Si crystals in acid-fluoride solutions: Pore formation mechanism

Energy Technology Data Exchange (ETDEWEB)

Ulin, V. P.; Ulin, N. V.; Soldatenkov, F. Yu., E-mail: f.soldatenkov@mail.ioffe.ru [Ioffe Physical–Technical Institute (Russian Federation)

2017-04-15

The interaction of heavily doped p- and n-type Si crystals with hydrofluoric acid in the dark with and without contact with metals having greatly differing work functions (Ag and Pd) is studied. The dependences of the dissolution rates of Si crystals in HF solutions that contain oxidizing agents with different redox potentials (FeCl{sub 3}, V{sub 2}O{sub 5} and CrO{sub 3}) on the type and level of silicon doping are determined. Analysis of the experimental data suggests that valence-band holes in silicon are not directly involved in the anodic reactions of silicon oxidation and dissolution and their generation in crystals does not limit the rate of these processes. It is also shown that the character and rate of the chemical process leading to silicon dissolution in HF-containing electrolytes are determined by the interfacial potential attained at the semiconductor–electrolyte interface. The mechanism of electrochemical pore formation in silicon crystals is discussed in terms of selfconsistent cooperative reactions of nucleophilic substitution between chemisorbed fluorine anions and coordination- saturated silicon atoms in the crystal subsurface layer. A specific feature of these reactions for silicon crystals is that vacant nonbonding d{sup 2}sp{sup 3} orbitals of Si atoms, associated with sixfold degenerate states corresponding to the Δ valley of the conduction band, are involved in the formation of intermediate complexes. According to the suggested model, the pore-formation process spontaneously develops in local regions of the interface under the action of the interfacial potential in the adsorption layer and occurs as a result of the detachment of (SiF{sub 2}){sub n} polymer chains from the crystal. Just this process leads to the preferential propagation of pores along the <100> crystallographic directions. The thermodynamic aspects of pore nucleation and the effect of the potential drop across the interface, conduction type, and free-carrier concentration

F-center and self-trapped exciton formation in strongly excited alkali halide crystals

International Nuclear Information System (INIS)

Kravchenko, V.A.; Yakovlev, V.Yu.

1988-01-01

Method of luminescent and absorption spectroscopy with time resolution was used to study the effect of density of electron pulse excitation (t p =10 -8 s, P=(10 5 -10 8 ) WXcm -2 ) on efficiency of η ε two-halide autolocalized exciton (TALE) and F-centers (η F ) formation in CsI, CsBr, KBr, KI alkali halide crystals. It was established that for all studied systems the elevation of P power of electron beam (EB) from 10 5 up to 5X10 7 WXcm -2 resulted to sufficient decrease of production efficiency and yield of TALE luminescence. In the case when F-centers of colour are induced predominantly by pulsed irradiation in crystals, F-center yield is independent of P. If F-centers and TALE are produced in comparable amounts (CsBr crystals, T=80 K), η ε decrease with P growth is accompanied by η F growth

Formation of Piroxicam Polymorphism in Solution Crystallization

DEFF Research Database (Denmark)

Bruun Hansen, Thomas; Qu, Haiyan

2015-01-01

also explored, and new insights into polymorphic control are documented and discussed. The crystal landscape was mapped for cooling crystallization of piroxicam from acetone/water mixtures (0.5 K/min) and for antisolvent crystallization from acetone with water as the antisolvent. Varying cooling rates...

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.

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.

Professional Development through Formative Evaluation

Science.gov (United States)

Nsibande, Rejoice; Garraway, James

2011-01-01

Formative evaluation and its associated methodology of reflection on practice are used extensively in academic staff development. In reflecting on formative evaluation processes in both more traditional and newer programmes conducted at a university of technology, a number of variables reported in the literature were observed to have influenced…

Formation of H a - hydrogen centers upon additive coloration of alkaline-earth fluoride crystals

Science.gov (United States)

Radzhabov, E. A.; Egranov, A. V.; Shendrik, R. Yu.

2017-06-01

The mechanism of coloration of alkaline-earth fluoride crystals CaF2, SrF2, and BaF2 in calcium vapors in an autoclave with a cold zone is studied. It was found that the pressure in the autoclave upon constant evacuation by a vacuum pump within the temperature range of 500-800°C increases due to evaporation of metal calcium. In addition to the optical-absorption bands of color centers in the additively colored undoped crystals or to the bands of divalent ions in the crystals doped with rare-earth Sm, Yb, and Tm elements, there appear intense bands in the vacuum ultraviolet region at 7.7, 7.0, and 6.025 eV in CaF2, SrF2, and BaF2, respectively. These bands belong to the Ha - hydrogen centers. The formation of hydrogen centers is also confirmed by the appearance of the EPR signal of interstitial hydrogen atoms after X-ray irradiation of the additively colored crystals. Grinding of the outer edges of the colored crystals leads to a decrease in the hydrogen absorption-band intensity with depth to complete disappearance. The rate of hydrogen penetration inside the crystal is lower than the corresponding rate of color centers (anion vacancies) by a factor of tens. The visible color density of the outer regions of the hydrogen-containing crystals is several times lower than that of the inner region due to the competition between the color centers and hydrogen centers.

Food crystallization and eggs.

Science.gov (United States)

Egg products can be utilized to control crystallization in a diverse realm of food products. Albumen and egg yolk can aid in the control of sugar crystal formation in candies. Egg yolk can enhance the textural properties and aid in the control of large ice crystal formation in frozen desserts. In...

Intermolecular effects on the radiogenic formation of electron-capture phosphorus-centered radicals. A single-crystal ESR study of diastereoisomeric precursors

Energy Technology Data Exchange (ETDEWEB)

Aagaard, O.M.; Janssen, R.A.J.; de Waal, B.F.M.; Buck, H.M. (Eindhoven Univ. of Technology (Netherlands))

1990-01-31

ESR experiments on X-irradiated single crystals of the 2R,4S,5R and 2S,4S,5R diastereoisomers of 2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine 2-sulfide reveal that the yield of radiogenic electron-capture reactions in the solid state strongly depends on intermolecular interactions in the crystal. In the present case a high yield of P-Cl three-electron-bond phosphoranyl radical anions is found in crystals of the 2R,4S,5R isomer, whereas no radical formation can be detected for the 2S,4S,5R isomer. An analysis of nonbonded interactions with neighboring molecules reveals that the geometry relaxation necessary for the radical stabilization is easily accommodated in crystals of the 2R,4S,SR isomer but not in the 2S,4S,5R isomer, explaining the observed difference in electron-capture efficiency. Experiments on radical formation in a MeTHF host matrix give further insight into the importance of the environment on radiogenic radical formation. The possible concurrent effect of the matrix on the electronic configuration and spin density distribution of the resulting phosphoranyl radical is discussed.

Intermolecular effects on the radiogenic formation of electron-capture phosphorus-centered radicals. A single-crystal ESR study of diastereoisomeric precursors

International Nuclear Information System (INIS)

Aagaard, O.M.; Janssen, R.A.J.; de Waal, B.F.M.; Buck, H.M.

1990-01-01

ESR experiments on X-irradiated single crystals of the 2R,4S,5R and 2S,4S,5R diastereoisomers of 2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine 2-sulfide reveal that the yield of radiogenic electron-capture reactions in the solid state strongly depends on intermolecular interactions in the crystal. In the present case a high yield of P-Cl three-electron-bond phosphoranyl radical anions is found in crystals of the 2R,4S,5R isomer, whereas no radical formation can be detected for the 2S,4S,5R isomer. An analysis of nonbonded interactions with neighboring molecules reveals that the geometry relaxation necessary for the radical stabilization is easily accommodated in crystals of the 2R,4S,SR isomer but not in the 2S,4S,5R isomer, explaining the observed difference in electron-capture efficiency. Experiments on radical formation in a MeTHF host matrix give further insight into the importance of the environment on radiogenic radical formation. The possible concurrent effect of the matrix on the electronic configuration and spin density distribution of the resulting phosphoranyl radical is discussed

Formation of SmFe5(0001) ordered alloy thin films on Cu(111) single-crystal underlayers

International Nuclear Information System (INIS)

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

2010-01-01

SmFe 5 (0001) single-crystal thin films are prepared by molecular beam epitaxy employing Cu(111) single-crystal underlayers on MgO(111) substrates. The Cu atoms diffuse into the Sm-Fe layer and substitute the Fe sites in SmFe 5 structure forming an alloy compound of Sm(Fe,Cu) 5 . The Sm(Fe,Cu) 5 film is more Cu enriched with increasing the substrate temperature. The Cu underlayer plays an important role in assisting the formation of the ordered phase.

Right timing in formative program evaluation.

Science.gov (United States)

Hall, Jori; Freeman, Melissa; Roulston, Kathy

2014-08-01

Since many educational researchers and program developers have limited knowledge of formative evaluation, formative data may be underutilized during the development and implementation of an educational program. The purpose of this article is to explain how participatory, responsive, educative, and qualitative approaches to formative evaluation can facilitate a partnership between evaluators and educational researchers and program managers to generate data useful to inform program implementation and improvement. This partnership is critical, we argue, because it enables an awareness of when to take appropriate action to ensure successful educational programs or "kairos". To illustrate, we use examples from our own evaluation work to highlight how formative evaluation may facilitate opportune moments to (1) define the substance and purpose of a program, (2) develop understanding and awareness of the cultural interpretations of program participants, and (3) show the relevance of stakeholder experiences to program goals. Copyright © 2014 Elsevier Ltd. All rights reserved.

Formation of vacancy clusters in tungsten crystals under hydrogen-rich condition

Energy Technology Data Exchange (ETDEWEB)

Kato, Daiji, E-mail: kato.daiji@nifs.ac.jp [National Institute for Fusion Science, 322-6 Oroshi-cho, Toki, Gifu 509-5292 (Japan); Iwakiri, Hirotomo, E-mail: iwakiri@edu.u-ryukyu.ac.jp [University of the Ryukyus, Okinawa 903-0213 (Japan); Morishita, Kazunori, E-mail: morishita@iae.kyoto-u.ac.jp [Institute of Advanced Energy, Kyoto University, Kyoto 611-0011 (Japan)

2011-10-01

Di-vacancy formation assisted by hydrogen trapping is studied in terms of nucleation free-energies evaluated with density functional theory. Calculations give binding energies for single hydrogen atom as first- and second-nearest-neighbor of di-vacancies of 1.80 and 2.15 eV, respectively, which are significantly larger than that for mono-vacancies. At elevated atomic concentrations of interstitial hydrogen atoms, evaluated nucleation free-energies indicate that the hydrogen assisted di-vacancy formation becomes more favorable. It is suggested that the formation would be preceded by VH cluster formation.

Formation of vacancy clusters in tungsten crystals under hydrogen-rich condition

International Nuclear Information System (INIS)

Kato, Daiji; Iwakiri, Hirotomo; Morishita, Kazunori

2011-01-01

Di-vacancy formation assisted by hydrogen trapping is studied in terms of nucleation free-energies evaluated with density functional theory. Calculations give binding energies for single hydrogen atom as first- and second-nearest-neighbor of di-vacancies of 1.80 and 2.15 eV, respectively, which are significantly larger than that for mono-vacancies. At elevated atomic concentrations of interstitial hydrogen atoms, evaluated nucleation free-energies indicate that the hydrogen assisted di-vacancy formation becomes more favorable. It is suggested that the formation would be preceded by VH cluster formation.

Effects of electric fields on the photonic crystal formation from block copolymers

Science.gov (United States)

Lee, Taekun; Ju, Jin-wook; Ryoo, Won

2012-03-01

Effects of electric fields on the self-assembly of block copolymers have been investigated for thin films of polystyrene-bpoly( 2-vinyl pyridine); PS-b-P2VP, 52 kg/mol-b-57 kg/mol and 133 kg/mol-b-132 kg/mol. Block copolymers of polystyrene and poly(2-vinyl pyridine) have been demonstrated to form photonic crystals of 1D lamellar structure with optical band gaps that correspond to UV-to-visible light. The formation of lamellar structure toward minimum freeenergy state needs increasing polymer chain mobility, and the self-assembly process is accelerated usually by annealing, that is exposing the thin film to solvent vapor such as chloroform and dichloromethane. In this study, thin films of block copolymers were spin-coated on substrates and placed between electrode arrays of various patterns including pin-points, crossing and parallel lines. As direct or alternating currents were applied to electrode arrays during annealing process, the final structure of thin films was altered from the typical 1D lamellae in the absence of electric fields. The formation of lamellar structure was spatially controlled depending on the shape of electrode arrays, and the photonic band gap also could be modulated by electric field strength. The spatial formation of lamellar structure was examined with simulated distribution of electrical potentials by finite difference method (FDM). P2VP layers in self-assembled film were quaternized with methyl iodide vapor, and the remaining lamellar structure was investigated by field emission scanning electron microscope (FESEM). The result of this work is expected to provide ways of fabricating functional structures for display devices utilizing photonic crystal array.

Crystal Systems.

Science.gov (United States)

Schomaker, Verner; Lingafelter, E. C.

1985-01-01

Discusses characteristics of crystal systems, comparing (in table format) crystal systems with lattice types, number of restrictions, nature of the restrictions, and other lattices that can accidently show the same metrical symmetry. (JN)

Formation of surface nanolayers in chalcogenide crystals using coherent laser beams

Science.gov (United States)

Ozga, K.; Fedorchuk, A. O.; El-Naggar, A. M.; Albassam, A. A.; Kityk, V.

2018-03-01

We have shown a possibility to form laser modified surface nanolayers with thickness up to 60 nm in some ternary chalcogenide crystals (Ag3AsS3, Ag3SbS3, Tl3SbS3) The laser treatment was performed by two coherent laser beams split in a space. As the inducing lasers we have applied continuous wave (cw) Hesbnd Cd laser at wavelength 441 nm and doubled frequency cw Nd: YAG laser at 532 nm. The spectral energies of these lasers were higher with respect to the energy gaps of the studied crystals. The optical anisotropy was appeared and defected by monitoring of birefringence at probing wavelength of cw Hesbnd Ne laser at λ = 3390 nm. The changes of the laser stimulated near the surface layer morphology was monitored by TEM and AFM methods as well as by the reflected optical second harmonic generation at fundamental wavelength of microsecond CO2 laser generating at wavelength 10600 nm. This technique may open a new approach for the formation of the near the surface nanolayers in chalcogenides using external cw laser illumination.

Geobacillus thermoglucosidasius Endospores Function as Nuclei for the Formation of Single Calcite Crystals

Science.gov (United States)

Murai, Rie

2013-01-01

Geobacillus thermoglucosidasius colonies were placed on an agar hydrogel containing acetate, calcium ions, and magnesium ions, resulting in the formation of single calcite crystals (calcites) within and peripheral to the plating area or parent colony. Microscopic observation of purified calcites placed on the surface of soybean casein digest (SCD) nutrient medium revealed interior crevices from which bacterial colonies originated. Calcites formed on the gel contained [1-13C]- and [2-13C]acetate, demonstrating that G. thermoglucosidasius utilizes carbon derived from acetate for calcite formation. During calcite formation, vegetative cells swam away from the parent colony in the hydrogel. Hard-agar hydrogel inhibited the formation of calcites peripheral to the parent colony. The calcite dissolved completely in 1 M HCl, with production of bubbles, and the remaining endospore-like particles were easily stained with Brilliant green dye. The presence of DNA and protein in calcites was demonstrated by electrophoresis. We propose that endospores initiate the nucleation of calcites. Endospores of G. thermoglucosidasius remain alive and encapsulated in calcites. PMID:23455343

A study on density functional theory of the effect of pressure on the formation and migration enthalpies of intrinsic point defects in growing single crystal Si

Science.gov (United States)

Sueoka, Koji; Kamiyama, Eiji; Kariyazaki, Hiroaki

2012-05-01

In 1982, Voronkov presented a model describing point defect behavior during the growth of single crystal Si from a melt and derived an expression to predict if the crystal was vacancy- or self-interstitial-rich. Recently, Vanhellemont claimed that one should take into account the impact of compressive stress introduced by the thermal gradient at the melt/solid interface by considering the hydrostatic pressure dependence of the formation enthalpy of the intrinsic point defects. To evaluate the impact of thermal stress more correctly, the pressure dependence of both the formation enthalpy (Hf) and the migration enthalpy (Hm) of the intrinsic point defects should be taken into account. Furthermore, growing single crystal Si is not under hydrostatic pressure but almost free of external pressure (generally in Ar gas under reduced pressure). In the present paper, the dependence of Hf and Hm on the pressure P, or in other words, the pressure dependence of the formation energy (Ef) and the relaxation volume (vf), is quantified by density functional theory calculations. Although a large number of ab initio calculations of the properties of intrinsic point defects have been published during the last years, calculations for Si crystals under pressure are rather scarce. For vacancies V, the reported pressure dependences of HfV are inconsistent. In the present study, by using 216-atom supercells with a sufficient cut-off energy and mesh of k-points, the neutral I and V are found to have nearly constant formation energies EfI and EfV for pressures up to 1 GPa. For the relaxation volume, vfI is almost constant while vfV decreases linearly with increasing pressure P. In case of the hydrostatic pressure Ph, the calculated formation enthalpy HfI and migration enthalpy HmI at the [110] dumbbell site are given by HfI = 3.425 - 0.057 × Ph (eV) and HmI = 0.981 - 0.039 × Ph (eV), respectively, with Ph given in GPa. The calculated HfV and HmV dependencies on Ph given by HfV = 3.543 - 0

Formation of SmFe{sub 5}(0001) ordered alloy thin films on Cu(111) single-crystal underlayers

Energy Technology Data Exchange (ETDEWEB)

Yabuhara, Osamu; Ohtake, Mitsuru; Nukaga, Yuri; Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi, E-mail: yabuhara@futamoto.elect.chuo-u.ac.j [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan)

2010-01-01

SmFe{sub 5}(0001) single-crystal thin films are prepared by molecular beam epitaxy employing Cu(111) single-crystal underlayers on MgO(111) substrates. The Cu atoms diffuse into the Sm-Fe layer and substitute the Fe sites in SmFe{sub 5} structure forming an alloy compound of Sm(Fe,Cu){sub 5}. The Sm(Fe,Cu){sub 5} film is more Cu enriched with increasing the substrate temperature. The Cu underlayer plays an important role in assisting the formation of the ordered phase.

Anisotropy effect of crater formation on single crystal silicon surface under intense pulsed ion beam irradiation

Science.gov (United States)

Shen, Jie; Yu, Xiao; Zhang, Jie; Zhong, Haowen; Cui, Xiaojun; Liang, Guoying; Yu, Xiang; Huang, Wanying; Shahid, Ijaz; Zhang, Xiaofu; Yan, Sha; Le, Xiaoyun

2018-04-01

Due to the induced extremely fast thermal and dynamic process, Intense Pulsed Ion Beam (IPIB) is widely applied in material processing, which can bring enhanced material performance and surface craters as well. To investigate the craters' formation mechanism, a specific model was built with Finite Element Methods (FEM) to simulate the thermal field on irradiated single crystal silicon. The direct evidence for the existence of the simulated 6-fold rotational symmetric thermal distribution was provided by electron microscope images obtained on single crystal silicon. The correlation of the experiment and simulation is of great importance to understand the interaction between IPIB and materials.

Crystal nucleus formation on the cathode under conditions of supersaturation of melt by lower valent forms

International Nuclear Information System (INIS)

Kaliev, K.A.; Aksent'ev, A.G.; Baraboshkin, A.N.

1979-01-01

Nucleation on the cathode of sodium-tungsten bronzes forom the Na 2 WO 4 -WO 3 melt, containing 40 mol.% WO 3 is studied. It has been found that in the initial period the cathode deposition of sodium-tungsten bronze is preceeded by the formation of tungsten soluble lower reduced forms, the concentration of which can considerably exceed the equilibrium one because of excessive overstress of oxide bronze crystal nucleation. The polarization of cathode and change of its potential at the crystal nucleation of sodium-tungsten bronze and switching-off of the electrolysis current has been studied

Formation of different micro-morphologies from VO2 and ZnO crystallization using macro-porous silicon substrates

Science.gov (United States)

Salazar-Kuri, U.; Antúnez, E. E.; Estevez, J. O.; Olive-Méndez, Sion F.; Silva-González, N. R.; Agarwal, V.

2017-05-01

Square-shaped macropores produced by electrochemical anodization of n- and p-type Si wafers have been used as centers of nucleation to crystallize VO2 and ZnO. Substrate roughness dependent formation of different morphologies is revealed in the form of squared particles, spheres, bars and ribbons in the case of VO2 and hexagonal piles and spheres in the case of ZnO, have been observed.The presence of nano-/micro-metric crystals was studied through field emission scanning electron microscopy and energy dispersive X-ray spectroscopy mapping. Crystal structure of metal oxides was confirmed by micro-Raman spectroscopy. The growth of the different morphologies has been explained in terms of the surface free energy of a bare Si/SiO2 substrate and its modification originated from the roughness of the surface and of the walls of the porous substrates. This energy plays a crucial role on the minimization of the required energy to induce heterogeneous nucleation and crystal growth. Present work strengthens and provides an experimental evidence of roughness dependent metal oxide crystal growth with well-defined habits from pore corners and rough sides of the pore walls, similar to already reported protein crystals.

A Unified Theory of Melting, Crystallization and Glass Formation

DEFF Research Database (Denmark)

Cotterill, R. M. J.; Jensen, F. J.; Damgaard Kristensen, W.

1975-01-01

In recent years, dislocations have been involved in theories of melting, in models of the liquid state, and in calculations of the viscosity of glasses. Particularly noteworthy are the Mott-Gurney model of a liquid as a polycrystal with a grain size (i. e. a dislocation network size) of near......-atomic dimensions, and the demonstration by Kotze and Kuhlmann-Wilsdorf that the solid-liquid interfacial energy is proportional to the grain boundary energy for a number of elements. These developments suggest the possibility of a relatively simple picture of crystallization and glass formation. In the liquid...... state dislocations, at the saturation density, are in constant motion and the microscopic grain boundary structure that they form is constantly changing due to dislocation-dislocation interaction. As the liquid is cooled below the melting point the free energy favors the crystalline form and grains...

Zn nanoparticle formation in FIB irradiated single crystal ZnO

Science.gov (United States)

Pea, M.; Barucca, G.; Notargiacomo, A.; Di Gaspare, L.; Mussi, V.

2018-03-01

We report on the formation of Zn nanoparticles induced by Ga+ focused ion beam on single crystal ZnO. The irradiated materials have been studied as a function of the ion dose by means of atomic force microscopy, scanning electron microscopy, Raman spectroscopy and transmission electron microscopy, evidencing the presence of Zn nanoparticles with size of the order of 5-30 nm. The nanoparticles are found to be embedded in a shallow amorphous ZnO matrix few tens of nanometers thick. Results reveal that ion beam induced Zn clustering occurs producing crystalline particles with the same hexagonal lattice and orientation of the substrate, and could explain the alteration of optical and electrical properties found for FIB fabricated and processed ZnO based devices.

Evaluating evaluation as a communication process. What role for formative evaluation in ICT-based knowledge acquisition?

Directory of Open Access Journals (Sweden)

USEILLE Philippe

2005-10-01

Full Text Available This article examines how formative evaluation as a communication process contributes to knowledge acquisition in using ICT (Information and Communication Technologies. Previous studies, especially in the field of education and training, have shown that formative evaluation plays a crucial part in the learning process because it contributes to learning to learn. Through formative evaluation, the learner becomes aware of errors and can adjust learning strategies to the situation. In addition, formative evaluation provides the teaching side with significant and useful information. Consequently, ICT researches have developed a wide range of solutions for this specific purpose. It is however difficult to check the efficiency of these tools by considering the effects of ICT in the knowledge acquisition process. I suggest that formative evaluation includes also a communication system that has an effect on the learning process. This study tackles the issue by proposing an alternative approach to formative evaluation that considers it as both a learning and a communication process. The study is based on SADT (Structure Analysis and Design Technique that provides a suitable description for the whole complex communication process. It allows a rigorous understanding and identification of the variables of evaluation as a communication process in order to take care of an ICT frame. Finally, this article outlines a multidisciplinary method to evaluate formative evaluation by focusing on the validity facets of the communication process. Keywords: formative evaluation, communication process, validity criteria, ICT training context.

Spontaneous formation and dynamics of half-skyrmions in a chiral liquid-crystal film

Science.gov (United States)

Nych, Andriy; Fukuda, Jun-Ichi; Ognysta, Uliana; Žumer, Slobodan; Muševič, Igor

2017-12-01

Skyrmions are coreless vortex-like excitations emerging in diverse condensed-matter systems, and real-time observation of their dynamics is still challenging. Here we report the first direct optical observation of the spontaneous formation of half-skyrmions. In a thin film of a chiral liquid crystal, depending on experimental conditions including film thickness, they form a hexagonal lattice whose lattice constant is a few hundred nanometres, or appear as isolated entities with topological defects compensating their charge. These half-skyrmions exhibit intriguing dynamical behaviour driven by thermal fluctuations. Numerical calculations of real-space images successfully corroborate the experimental observations despite the challenge because of the characteristic scale of the structures close to the optical resolution limit. A thin film of a chiral liquid crystal thus offers an intriguing platform that facilitates a direct investigation of the dynamics of topological excitations such as half-skyrmions and their manipulation with optical techniques.

Slip-band formation and dislocation kinetics in the stage I deformation of neutron-irradiated copper single crystals

International Nuclear Information System (INIS)

Kitajima, Sadakichi; Shinohara, Kazutoshi; Kutsuwada, Masanori

1995-01-01

The velocity of edge and screw dislocations moving in primary slip bands and the formation rate of primary slip bands were measured in stage I deformation of neutron-irradiated copper single crystals at different strain rates at room temperature using micro-cinematography and optical micrography. The average velocity of edge dislocations was larger at least by one order than that of screw ones, and that of screw dislocations did not depend so strongly on strain rate. The formation rate of primary slip bands was proportional to strain rate. From these results, it is concluded that (1) jogs produced on moving dislocations by cutting dislocation loops result in the difference in velocity between edge and screw dislocations and (2) the change in the density of mobile dislocations as well as velocity of dislocations is responsible for the change of plastic strain rate of a crystal. (author)

C60-pentacene network formation by 2-D co-crystallization.

Science.gov (United States)

Jin, Wei; Dougherty, Daniel B; Cullen, William G; Robey, Steven; Reutt-Robey, Janice E

2009-09-01

We report experiments highlighting the mechanistic role of mobile pentacene precursors in the formation of a network C(60)-pentacene co-crystalline structure on Ag(111). This co-crystalline arrangement was first observed by low temperature scanning tunneling microscopy (STM) by Zhang et al. (Zhang, H. L.; Chen, W.; Huang, H.; Chen, L.; Wee, A. T. S. J. Am. Chem. Soc. 2008, 130, 2720-2721). We now show that this structure forms readily at room temperature from a two-dimensional (2-D) mixture. Pentacene, evaporated onto Ag(111) to coverages of 0.4-1.0 ML, produces a two-dimensional (2-D) gas. Subsequently deposited C(60) molecules combine with the pentacene 2-D gas to generate a network structure, consisting of chains of close-packed C(60) molecules, spaced by individual C(60) linkers and 1 nm x 2.5 nm pores containing individual pentacene molecules. Spontaneous formation of this stoichiometric (C(60))(4)-pentacene network from a range of excess pentacene surface coverage (0.4 to 1.0 ML) indicates a self-limiting assembly process. We refine the structure model for this phase and discuss the generality of this co-crystallization mechanism.

Fiscal 1974 Sunshine Project result report. R and D on photovoltaic power generation system (R and D on particle non-accelerating growth Si thin film crystal); 1974 nendo taiyoko hatsuden system no kenkyu kaihatsu seika hokokusho. Ryushi hikasoku seichogata silicon usumaku kessho no kenkyu kaihatsu

Energy Technology Data Exchange (ETDEWEB)

NONE

1975-05-28

This research aims at development of the technology for producing photovoltaic power generation systems at a cost less than 1/100 of those by current technology. In fiscal 1974, basic study was made on formation technology of particle non-accelerating growth Si thin film crystals. In addition, evaluation was made on formed thin film crystal characteristics, and studies were also made on junction formation for thin film crystals, and on thin film formation and junction formation for indium phosphide compound semiconductor thin films. The research includes (1) study on formation technology for particle non-accelerating growth Si thin film crystals, (2) evaluation on Si thin film crystals, (3) study on junction formation technology for Si thin film crystals, and (4) study on indium phosphide compound semiconductors. Evaluations were made on thin film formation technology by CVD, and on crystallographical and electrical characteristics of the formed thin films. The evaluation results clarified the compatibility between substrates and Si thin films, the formation condition of columnar structure films, and the effect of growth conditions on a carrier density or mobility. (NEDO)

Thermal formation of mesoporous single-crystal Co3O4 nano-needles and their lithium storage properties

KAUST Repository

Lou, Xiong Wen; Deng, Da; Lee, Jim Yang; Archer, Lynden A.

2008-01-01

In this work, we report the simple solid-state formation of mesoporous Co3O4 nano-needles with a 3D single-crystalline framework. The synthesis is based on controlled thermal oxidative decomposition and re-crystallization of precursor β-Co(OH)2 nano-needles. Importantly, after thermal treatment, the needle-like morphology can be completely preserved, despite the fact that there is a large volume contraction accompanying the process: β-Co(OH)2 → Co3O 4. Because of the intrinsic crystal contraction, a highly mesoporous structure with high specific surface area has been simultaneously created. The textual properties can be easily tailored by varying the annealing temperature between 200-400 °C. Interestingly, thermal re-crystallization at higher temperatures leads to the formation of a perfect 3D single-crystalline framework. Thus derived mesoporous Co3O4 nano-needles serve as a good model system for the study of lithium storage properties. The optimized sample manifests very low initial irreversible loss (21%), ultrahigh capacity, and excellent cycling performance. For example, a reversible capacity of 1079 mA h g-1 can be maintained after 50 cycles. The superior electrochemical performance and ease of synthesis may suggest their practical use in lithium-ion batteries. © The Royal Society of Chemistry 2008.

Glass formation and crystallization in Zr based alloys

International Nuclear Information System (INIS)

Dey, G. K.

2011-01-01

Metallic glasses have come in to prominence in recent times because their nanocrystalline atomic arrangement imparts many useful and unusual properties to these metallic solids. Though these have been produced for the last four decades, the necessity of rapid solidification at cooling rates of 10 5 K/sec or higher for their production, have restricted their geometry to thin ribbons and prevented their application to many areas despite their excellent properties. It has been shown in recent investigations that, many Zr base multicomponent alloys can be obtained in glassy state by cooling at much lower rate typically 10 2 to 10 3 K/sec. This has enabled production of these alloys in the glassy stat in bulk. By now, bulk metallic glasses have been produced in Mg, Ln, Zr, Fe, Pd-Cu, Pd-Fe, Ti and Ni- based alloys. Production of these glasses in bulk has opened avenue for their application in many areas where their excellent mechanical properties an corrosion resistance can be exploited. The transformation of the amorphous phase in these alloys to one or more crystalline phases, is an interesting phase transformation and can lead to formation of crystals in a variety of morphologies and a wide range of crystal sizes, including nanometer size crystals or nanocrystals. The bulk amorphous alloys exhibit higher fracture stress, combined with higher hardness and lower young's modulus than those of any crystalline alloy. The Zr- and Ti-based bulk amorphous alloy exhibit high bending and flexural strength values which are typically 2.0 to 2.5 time higher than those for crystalline counterparts. The composites of bulk metallic glass containing crystalline phases have been found to have special properties. This has been demonstrated in the case of composites of bulk metallic glass and tungsten wires wit the glass forming the matrix. Such a composite has a very high impact strength and is especially suitable for application as an armour penetrator in various types of shells used

Entropy-driven crystal formation on highly strained substrates

KAUST Repository

Savage, John R.; Hopp, Stefan F.; Ganapathy, Rajesh; Gerbode, Sharon J.; Heuer, Andreas; Cohen, Itai

2013-01-01

the crucial role of entropy in heteroepitaxy in this technologically important regime. Ultimately, this entropic component of lattice mismatched crystal growth could be used to develop unique methods for heterogeneous nucleation and growth of single crystals

Evaluation the microwave heating of spinel crystals in high-level waste glass

Energy Technology Data Exchange (ETDEWEB)

Christian, J. H. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River Ecology Lab. (SREL); Washington, A. L. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River Ecology Lab. (SREL)

2015-08-18

In this report, the microwave heating of a crystal-free and a partially (24 wt%) trevorite-crystallized waste glass simulant were evaluated. The results show that a 500 mg piece of partially crystallized waste glass can be heated from room-temperature to above 1600 °C (as measured by infrared radiometry) within 2 minutes using a single mode, highly focused, 2.45 GHz microwave, operating at 300 W. X-ray diffraction measurements show that the partially crystallized glass experiences an 87 % reduction in trevorite following irradiation and thermal quenching. When a crystal-free analogue of the same waste glass simulant composition is exposed to the same microwave radiation it could not be heated above 450 °C regardless of the heating time.

Proteomic changes in response to crystal formation in Drosophila Malpighian tubules.

Science.gov (United States)

Chung, Vera Y; Konietzny, Rebecca; Charles, Philip; Kessler, Benedikt; Fischer, Roman; Turney, Benjamin W

2016-04-02

Kidney stone disease is a major health burden with a complex and poorly understood pathophysiology. Drosophila Malpighian tubules have been shown to resemble human renal tubules in their physiological function. Herein, we have used Drosophila as a model to study the proteomic response to crystal formation induced by dietary manipulation in Malpighian tubules. Wild-type male flies were reared in parallel groups on standard medium supplemented with lithogenic agents: control, Sodium Oxalate (NaOx) and Ethylene Glycol (EG). Malpighian tubules were dissected after 2 weeks to visualize crystals with polarized light microscopy. The parallel group was dissected for protein extraction. A new method of Gel Assisted Sample Preparation (GASP) was used for protein extraction. Differentially abundant proteins (p<0.05) were identified by label-free quantitative proteomic analysis in flies fed with NaOx and EG diet compared with control. Their molecular functions were further screened for transmembrane ion transporter, calcium or zinc ion binder. Among these, 11 candidate proteins were shortlisted in NaOx diet and 16 proteins in EG diet. We concluded that GASP is a proteomic sample preparation method that can be applied to individual Drosophila Malpighian tubules. Our results may further increase the understanding of the pathophysiology of human kidney stone disease.

Lack of Co-crystal Formation with Cyclotriphosphazenes: A ...

African Journals Online (AJOL)

NICOLAAS

Department of Chemistry and Polymer Science, University of Stellenbosch, Private Bag X1, Matieland, .... issues with solubility of the phosphazenes used. ... The temperature of the crystal was ... from methanol that incorporated water into the structure did .... The crystal structures of9–12were originally determined at room.

Characteristics of indomethacin-saccharin (IMC-SAC) co-crystals prepared by an anti-solvent crystallization process.

Science.gov (United States)

Chun, Nan-Hee; Wang, In-Chun; Lee, Min-Jeong; Jung, Yun-Taek; Lee, Sangkil; Kim, Woo-Sik; Choi, Guang J

2013-11-01

The creation of co-crystals of various insoluble drug substances has been extensively investigated as a promising approach to improve their pharmaceutical performance. In this study, co-crystal powders of indomethacin and saccharin (IMC-SAC) were prepared by an anti-solvent (water) addition and compared with co-crystals by evaporation method. No successful synthesis of a pharmaceutical co-crystal powder via an anti-solvent approach has been reported. Among solvents examined, methanol was practically the only one that resulted in the formation of highly pure IMC-SAC co-crystal powders by anti-solvent approach. The mechanism of a preferential formation of IMC-SAC co-crystal to IMC was explained with two aspects: phase solubility diagram and solution complexation concept. Accordingly, the anti-solvent approach can be considered as a competitive route for producing pharmaceutical co-crystal powders with acceptable properties. Copyright © 2013 Elsevier B.V. All rights reserved.

Probabilistic approach to lysozyme crystal nucleation kinetics.

Science.gov (United States)

Dimitrov, Ivaylo L; Hodzhaoglu, Feyzim V; Koleva, Dobryana P

2015-09-01

Nucleation of lysozyme crystals in quiescent solutions at a regime of progressive nucleation is investigated under an optical microscope at conditions of constant supersaturation. A method based on the stochastic nature of crystal nucleation and using discrete time sampling of small solution volumes for the presence or absence of detectable crystals is developed. It allows probabilities for crystal detection to be experimentally estimated. One hundred single samplings were used for each probability determination for 18 time intervals and six lysozyme concentrations. Fitting of a particular probability function to experimentally obtained data made possible the direct evaluation of stationary rates for lysozyme crystal nucleation, the time for growth of supernuclei to a detectable size and probability distribution of nucleation times. Obtained stationary nucleation rates were then used for the calculation of other nucleation parameters, such as the kinetic nucleation factor, nucleus size, work for nucleus formation and effective specific surface energy of the nucleus. The experimental method itself is simple and adaptable and can be used for crystal nucleation studies of arbitrary soluble substances with known solubility at particular solution conditions.

Methodology for fast evaluation of Bacillus thuringiensis crystal protein content

Directory of Open Access Journals (Sweden)

Alves Lúcia M. Carareto

2000-01-01

Full Text Available The development of the production and use of Bacillus thuringiensis in Brazil at a commercial scale faces certain difficulties, among them the establishment of efficient methodologies for the quantitation of toxic products to be commercialized. Presently, the amount of toxin is given in percentage by analyzing the samples total protein content. Such methodology however, does not measure the actual amount of active protein present in the product, since most strains express different endotoxin genes and might even produce b-toxin. Since the various types of toxins exhibit different antigenic characteristics, this work has as objective the utilization of fast immunological techniques to quantify the level of crystal protein. Crystal protein produced by a subspecies of Bacillus thuringiensis var. israelensis was purified by ultracentrifugation and utilized to immunize rabbits and to produce hiperimmune sera. Such sera were latter used to evaluate the level of proteins on commercial bioinsecticide and on laboratory cultures of B. thuringiensis through the immunodot technique. The results were obtained by comparison of data obtained from reactions with known concentrations of crystal protein permitting to evaluate the level of such protein on various materials.

New 5-benzylidenethiazolidin-4-one inhibitors of bacterial MurD ligase: design, synthesis, crystal structures, and biological evaluation.

Science.gov (United States)

Zidar, Nace; Tomašić, Tihomir; Šink, Roman; Kovač, Andreja; Patin, Delphine; Blanot, Didier; Contreras-Martel, Carlos; Dessen, Andréa; Premru, Manica Müller; Zega, Anamarija; Gobec, Stanislav; Mašič, Lucija Peterlin; Kikelj, Danijel

2011-11-01

Mur ligases (MurC-MurF), a group of bacterial enzymes that catalyze four consecutive steps in the formation of cytoplasmic peptidoglycan precursor, are becoming increasingly adopted as targets in antibacterial drug design. Based on the crystal structure of MurD cocrystallized with thiazolidine-2,4-dione inhibitor I, we have designed, synthesized, and evaluated a series of improved glutamic acid containing 5-benzylidenerhodanine and 5-benzylidenethiazolidine-2,4-dione inhibitors of MurD with IC(50) values up to 28 μM. Inhibitor 37, with an IC(50) of 34 μM, displays a weak antibacterial activity against S. aureus ATCC 29213 and E. faecalis ATCC 29212 with minimal inhibitory concentrations of 128 μg/mL. High-resolution crystal structures of MurD in complex with two new inhibitors (compounds 23 and 51) reveal details of their binding modes within the active site and provide valuable information for further structure-based optimization. Copyright © 2011 Elsevier Masson SAS. All rights reserved.

Chronic skin inflammation accelerates macrophage cholesterol crystal formation and atherosclerosis

Science.gov (United States)

Ng, Qimin; Sanda, Gregory E.; Dey, Amit K.; Teague, Heather L.; Sorokin, Alexander V.; Dagur, Pradeep K.; Silverman, Joanna I.; Harrington, Charlotte L.; Rodante, Justin A.; Rose, Shawn M.; Varghese, Nevin J.; Belur, Agastya D.; Goyal, Aditya; Gelfand, Joel M.; Springer, Danielle A.; Bleck, Christopher K.E.; Thomas, Crystal L.; Yu, Zu-Xi; Winge, Mårten C.G.; Kruth, Howard S.; Marinkovich, M. Peter; Joshi, Aditya A.; Playford, Martin P.; Mehta, Nehal N.

2018-01-01

Inflammation is critical to atherogenesis. Psoriasis is a chronic inflammatory skin disease that accelerates atherosclerosis in humans and provides a compelling model to understand potential pathways linking these diseases. A murine model capturing the vascular and metabolic diseases in psoriasis would accelerate our understanding and provide a platform to test emerging therapies. We aimed to characterize a new murine model of skin inflammation (Rac1V12) from a cardiovascular standpoint to identify novel atherosclerotic signaling pathways modulated in chronic skin inflammation. The RacV12 psoriasis mouse resembled the human disease state, including presence of systemic inflammation, dyslipidemia, and cardiometabolic dysfunction. Psoriasis macrophages had a proatherosclerotic phenotype with increased lipid uptake and foam cell formation, and also showed a 6-fold increase in cholesterol crystal formation. We generated a triple-genetic K14-RacV12–/+/Srb1–/–/ApoER61H/H mouse and confirmed psoriasis accelerates atherogenesis (~7-fold increase). Finally, we noted a 60% reduction in superoxide dismutase 2 (SOD2) expression in human psoriasis macrophages. When SOD2 activity was restored in macrophages, their proatherogenic phenotype reversed. We demonstrate that the K14-RacV12 murine model captures the cardiometabolic dysfunction and accelerates vascular disease observed in chronic inflammation and that skin inflammation induces a proatherosclerotic macrophage phenotype with impaired SOD2 function, which associated with accelerated atherogenesis. PMID:29321372

Probing the formation of silicon nano-crystals (Si-ncs) using variable energy positron annihilation spectroscopy

Science.gov (United States)

Knights, A. P.; Bradley, J. D. B.; Hulko, O.; Stevanovic, D. V.; Edwards, C. J.; Kallis, A.; Coleman, P. G.; Crowe, I. F.; Halsall, M. P.; Gwilliam, R. M.

2011-01-01

We describe preliminary results from studies of the formation of silicon nano-crystals (Si-ncs) embedded in stoichiometric, thermally grown SiO2 using Variable Energy Positron Annihilation Spectroscopy (VEPAS). We show that the VEPAS technique is able to monitor the introduction of structural damage. In SiO2 through the high dose Si+ ion implantation required to introduce excess silicon as a precursor to Si-nc formation. VEPAS is also able to characterize the rate of the removal of this damage with high temperature annealing, showing strong correlation with photoluminescence. Finally, VEPAS is shown to be able to selectively probe the interface between Si-ncs and the host oxide. Introduction of hydrogen at these interfaces suppresses the trapping of positrons at the interfaces.

Facilitating participation in formative evaluation supported by effect map

DEFF Research Database (Denmark)

Granlien, Maren Sander

2009-01-01

It has been suggested that formative evaluation should be an integrated part of system implementation in order to improve the outcome of system use. In a design project an approach combining participatory design (PD) and formative evaluation has shown a great potential for improving the design of...... map is applied in an action research study in the Danish health care sector aiming at improving the medication process and the use of the electronic medication record supporting the medication process. ...... designed effect map. The purpose of the effect map is twofold: a) To encourage user participation in the early activities of formative evaluation b) The effects specified can be used as formative evaluation measures and guidance in the process of improving the system. The evaluation approach and the effect...

The 'partial resonance' of the ring in the NLO crystal melaminium formate: study using vibrational spectra, DFT, HOMO-LUMO and MESP mapping.

Science.gov (United States)

Binoy, J; Marchewka, M K; Jayakumar, V S

2013-03-01

The molecular geometry and vibrational spectral investigations of melaminium formate, a potential material known for toxicity and NLO activity, has been performed. The FT IR and FT Raman spectral investigations of melaminium formate is performed aided by the computed spectra of melaminium formate, triazine, melamine, melaminium and formate ion, along with bond orders and PED, computed using the density functional method (B3LYP) with 6-31G(d) basis set and XRD data, to reveal intermolecular interactions of amino groups with neighbor formula units in the crystal, intramolecular H⋯H repulsion of amino group hydrogen with protonating hydrogen, consequent loss of resonance in the melaminium ring, restriction of resonance to N(3)C(1)N(1) moiety leading to special type resonance of the ring and the resonance structure of CO(2) group of formate ion. The 3D matrix of hyperpolarizability tensor components has been computed to quantify NLO activity of melamine, melaminium and melaminium formate and the hyperpolarizability enhancement is analyzed using computed plots of HOMO and LUMO orbitals. A new mechanism of proton transfer responsible for NLO activity has been suggested, based on anomalous IR spectral bands in the high wavenumber region. The computed MEP contour maps have been used to analyze the interaction of melaminium and formate ions in the crystal. Copyright © 2012 Elsevier B.V. All rights reserved.

The `partial resonance' of the ring in the NLO crystal melaminium formate: Study using vibrational spectra, DFT, HOMO-LUMO and MESP mapping

Science.gov (United States)

Binoy, J.; Marchewka, M. K.; Jayakumar, V. S.

2013-03-01

The molecular geometry and vibrational spectral investigations of melaminium formate, a potential material known for toxicity and NLO activity, has been performed. The FT IR and FT Raman spectral investigations of melaminium formate is performed aided by the computed spectra of melaminium formate, triazine, melamine, melaminium and formate ion, along with bond orders and PED, computed using the density functional method (B3LYP) with 6-31G(d) basis set and XRD data, to reveal intermolecular interactions of amino groups with neighbor formula units in the crystal, intramolecular H⋯H repulsion of amino group hydrogen with protonating hydrogen, consequent loss of resonance in the melaminium ring, restriction of resonance to N3C1N1 moiety leading to special type resonance of the ring and the resonance structure of CO2 group of formate ion. The 3D matrix of hyperpolarizability tensor components has been computed to quantify NLO activity of melamine, melaminium and melaminium formate and the hyperpolarizability enhancement is analyzed using computed plots of HOMO and LUMO orbitals. A new mechanism of proton transfer responsible for NLO activity has been suggested, based on anomalous IR spectral bands in the high wavenumber region. The computed MEP contour maps have been used to analyze the interaction of melaminium and formate ions in the crystal.

Holographic Formation of Diffraction Elements for Transformation of Light Beams in Liquid Crystal - Photopolymer Compositions

Science.gov (United States)

Semkin, A. O.; Sharangovich, S. N.

2018-03-01

A theoretical model of holographic formation of diffractive optical elements for transformation of light beam field into Bessel-like fields in liquid crystal - photopolymer (LC-PPM) composite materials with a dyesensitizer is developed. Results of numerical modeling of kinetics ofvariation of the refractive index of a material in the process of formation with different relationships between the photopolymerization rates and diffusion processes are presented. Based on the results of numerical simulation, it is demonstrated that when the photopolarization process dominates, the diffractive element being formed is distorted. This leads to a change in the light field distribution at its output and consequently, to ineffective transformation of the reading beam. Thus, the necessity of optimizing of the recording conditions and of the prepolymeric composition to increase the transformation efficiency of light beam fields is demonstrated.

Lunar Magma Ocean Crystallization: Constraints from Fractional Crystallization Experiments

Science.gov (United States)

Rapp, J. F.; Draper, D. S.

2015-01-01

The currently accepted paradigm of lunar formation is that of accretion from the ejecta of a giant impact, followed by crystallization of a global scale magma ocean. This model accounts for the formation of the anorthosite highlands crust, which is globally distributed and old, and the formation of the younger mare basalts which are derived from a source region that has experienced plagioclase extraction. Several attempts at modelling the crystallization of such a lunar magma ocean (LMO) have been made, but our ever-increasing knowledge of the lunar samples and surface have raised as many questions as these models have answered. Geodynamic models of lunar accretion suggest that shortly following accretion the bulk of the lunar mass was hot, likely at least above the solidus]. Models of LMO crystallization that assume a deep magma ocean are therefore geodynamically favorable, but they have been difficult to reconcile with a thick plagioclase-rich crust. A refractory element enriched bulk composition, a shallow magma ocean, or a combination of the two have been suggested as a way to produce enough plagioclase to account for the assumed thickness of the crust. Recently however, geophysical data from the GRAIL mission have indicated that the lunar anorthositic crust is not as thick as was initially estimated, which allows for both a deeper magma ocean and a bulk composition more similar to the terrestrial upper mantle. We report on experimental simulations of the fractional crystallization of a deep (approximately 100km) LMO with a terrestrial upper mantle-like (LPUM) bulk composition. Our experimental results will help to define the composition of the lunar crust and mantle cumulates, and allow us to consider important questions such as source regions of the mare basalts and Mg-suite, the role of mantle overturn after magma ocean crystallization and the nature of KREEP

Orientation of crystals in alanine dosimeter assessed by DRS, as seen in EPR spectra evaluation

International Nuclear Information System (INIS)

Grazyna Przybytniak; Zagorski, Z.P.

1996-01-01

The alanine dosimeter made for evaluation by diffuse light reflection spectrophotometry (ALA/DRS) does not show the effect of orientation of crystals. Supposed deviation from random orientation has been investigated by EPR spectroscopy. EPR investigation shows that in spite of the very fine size of L-alanine crystals, they are oriented in thin layers of the polyethylene matrix. Specially prepared films with deliberately well oriented crystals have confirmed this observation. Our ALA/DRS dosimeter can be evaluated by the EPR method for the concentration of free radicals, providing that the dominating crystal orientation in the dosimetric film is indicated on it as an arrow, and the sample is inserted into the magnetic cavity always in the same orientation as has been done during the calibration operation. (author). 6 refs., 2 figs

RNA Crystallization

Science.gov (United States)

Golden, Barbara L.; Kundrot, Craig E.

2003-01-01

RNA molecules may be crystallized using variations of the methods developed for protein crystallography. As the technology has become available to syntheisize and purify RNA molecules in the quantities and with the quality that is required for crystallography, the field of RNA structure has exploded. The first consideration when crystallizing an RNA is the sequence, which may be varied in a rational way to enhance crystallizability or prevent formation of alternate structures. Once a sequence has been designed, the RNA may be synthesized chemically by solid-state synthesis, or it may be produced enzymatically using RNA polymerase and an appropriate DNA template. Purification of milligram quantities of RNA can be accomplished by HPLC or gel electrophoresis. As with proteins, crystallization of RNA is usually accomplished by vapor diffusion techniques. There are several considerations that are either unique to RNA crystallization or more important for RNA crystallization. Techniques for design, synthesis, purification, and crystallization of RNAs will be reviewed here.

Effects of high-dose hydrogen implantation on defect formation and dopant diffusion in silver implanted ZnO crystals

Energy Technology Data Exchange (ETDEWEB)

Yaqoob, Faisal [Department of Physics, State University of New York at Albany, Albany, New York 12222 (United States); Huang, Mengbing, E-mail: mhuang@sunypoly.edu [College of Nanoscale Science and Engineering, State University of New York Polytechnic Institute, Albany, New York 12203 (United States)

2016-07-28

This work reports on the effects of a deep high-dose hydrogen ion implant on damage accumulation, defect retention, and silver diffusion in silver implanted ZnO crystals. Single-crystal ZnO samples were implanted with Ag ions in a region ∼150 nm within the surface, and some of these samples were additionally implanted with hydrogen ions to a dose of 2 × 10{sup 16 }cm{sup −2}, close to the depth ∼250 nm. Rutherford backscattering/ion channeling measurements show that crystal damage caused by Ag ion implantation and the amount of defects retained in the near surface region following post-implantation annealing were found to diminish in the case with the H implantation. On the other hand, the additional H ion implantation resulted in a reduction of substitutional Ag atoms upon post-implantation annealing. Furthermore, the presence of H also modified the diffusion properties of Ag atoms in ZnO. We discuss these findings in the context of the effects of nano-cavities on formation and annihilation of point defects as well as on impurity diffusion and trapping in ZnO crystals.

Effects of storage time and temperature on pH, specific gravity, and crystal formation in urine samples from dogs and cats.

Science.gov (United States)

Albasan, Hasan; Lulich, Jody P; Osborne, Carl A; Lekcharoensuk, Chalermpol; Ulrich, Lisa K; Carpenter, Kathleen A

2003-01-15

To determine effects of storage temperature and time on pH and specific gravity of and number and size of crystals in urine samples from dogs and cats. Randomized complete block design. 31 dogs and 8 cats. Aliquots of each urine sample were analyzed within 60 minutes of collection or after storage at room or refrigeration temperatures (20 vs 6 degrees C [68 vs 43 degrees F]) for 6 or 24 hours. Crystals formed in samples from 11 of 39 (28%) animals. Calcium oxalate (CaOx) crystals formed in vitro in samples from 1 cat and 8 dogs. Magnesium ammonium phosphate (MAP) crystals formed in vitro in samples from 2 dogs. Compared with aliquots stored at room temperature, refrigeration increased the number and size of crystals that formed in vitro; however, the increase in number and size of MAP crystals in stored urine samples was not significant. Increased storage time and decreased storage temperature were associated with a significant increase in number of CaOx crystals formed. Greater numbers of crystals formed in urine aliquots stored for 24 hours than in aliquots stored for 6 hours. Storage time and temperature did not have a significant effect on pH or specific gravity. Urine samples should be analyzed within 60 minutes of collection to minimize temperature- and time-dependent effects on in vitro crystal formation. Presence of crystals observed in stored samples should be validated by reevaluation of fresh urine.

Many-body formation and dissociation of a dipolar chain crystal

International Nuclear Information System (INIS)

You, Jhih-Shih; Wang, Daw-Wei

2014-01-01

We propose an experimental scheme to effectively assemble chains of dipolar gases with a uniform length in a multi-layer system. The obtained dipolar chains can form a chain crystal with the system temperature easily controlled by the initial lattice potential and the external field strength during processing. When the density of chains increases, we further observe a second order quantum phase transition for the chain crystal to be dissociated toward layers of 2D crystal, where the quantum fluctuation dominates the classical energy and the compressibility diverges at the phase boundary. The experimental implication of such a dipolar chain crystal and its quantum phase transition is also discussed. (paper)

Relativistic electron Wigner crystal formation in a cavity for electron acceleration

CERN Document Server

Thomas, Johannes; Pukhov, Alexander

2014-01-01

It is known that a gas of electrons in a uniform neutralizing background can crystallize and form a lattice if the electron density is less than a critical value. This crystallization may have two- or three-dimensional structure. Since the wake field potential in the highly-nonlinear-broken-wave regime (bubble regime) has the form of a cavity where the background electrons are evacuated from and only the positively charged ions remain, it is suited for crystallization of trapped and accelerated electron bunch. However, in this case, the crystal is moving relativistically and shows new three-dimensional structures that we call relativistic Wigner crystals. We analyze these structures using a relativistic Hamiltonian approach. We also check for stability and phase transitions of the relativistic Wigner crystals.

Often overlooked: formative evaluation in the development of ScienceComics

Directory of Open Access Journals (Sweden)

E. Weitkamp

2009-10-01

Full Text Available Formative evaluation should play a key role in the development of a science communication project or initiative. Such research is vital to understanding the needs and interests of the audience or participants; meeting these needs and interests helps ensure the project’s success. However, there can be a temptation to plough ahead without undertaking adequate formative evaluation. Using ScienceComics (www.sciencecomics.uwe.ac.uk as a case study, this article explores both the challenges and benefits of using formative evaluation to guide project development. It focuses on the actors involved in the formative stages and the impacts these actors had on the final outputs. This evidence is used to develop practical guidance on integrating formative evaluation right from the start.

Stress-induced formation mechanism of stacking fault tetrahedra in nano-cutting of single crystal copper

Energy Technology Data Exchange (ETDEWEB)

Wang, Quanlong [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Center for Precision Engineering, Harbin Institute of Technology, Harbin 150001 (China); Bai, Qingshun [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Chen, Jiaxuan, E-mail: wangquanlong0@hit.edu.cn [Center for Precision Engineering, Harbin Institute of Technology, Harbin 150001 (China); Guo, Yongbo [Center for Precision Engineering, Harbin Institute of Technology, Harbin 150001 (China); Xie, Wenkun [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Center for Precision Engineering, Harbin Institute of Technology, Harbin 150001 (China)

2015-11-15

Graphical abstract: In this paper, molecular dynamics simulation is performed to study the distribution of dislocation defects and local atomic crystal structure of single crystal copper. The stress distribution is investigated which is calculated by virial stress and analyzed by static pressure. The results are shown in (a)–(d). It is indicated that the compressive stress mainly spreads over the shear-slip zone, and the tensile stress is consisted in flank friction zone, shown in (a). The high tensile stress in subsurface is the source of stress, shown in (b). By the driven action of the stress source, the initial stair-rod dislocation nucleates. Then the dislocation climbs along four {1 1 1} planes under the stress driven action, shown in (d). Finally, the SFT is formed by the interaction of the compressive stress and the tensile stress which come from the shear-slip zone and friction zone, respectively. Besides, stair-rod dislocation, stacking faults and dislocation loop are also nucleated in the subsurface, shown in (c). Dislocation distribution, local atomic crystal structure state and stress-induced formation process of SFT by atomic. - Highlights: • A novel defect structure “stress-induced stacking fault tetrahedra” is revealed. • Atomic structural evolution and stress state distribution of the SFT are studied. • The stress-induced formation mechanism of the SFT is proposed. - Abstract: Stacking fault tetrahedra commonly existed in subsurface of deformed face center cubic metals, has great influence on machining precision and surface roughness in nano-cutting. Here we report, a stacking fault tetrahedra is formed in subsurface of workpiece during nano-cutting. The variation of cutting force and subsurface defects distribution are studied by using molecular dynamics simulation. The stress distribution is investigated which is calculated by virial stress and analyzed by static compression. The result shows that the cutting force has a rapidly

Stress-induced formation mechanism of stacking fault tetrahedra in nano-cutting of single crystal copper

International Nuclear Information System (INIS)

Wang, Quanlong; Bai, Qingshun; Chen, Jiaxuan; Guo, Yongbo; Xie, Wenkun

2015-01-01

Graphical abstract: In this paper, molecular dynamics simulation is performed to study the distribution of dislocation defects and local atomic crystal structure of single crystal copper. The stress distribution is investigated which is calculated by virial stress and analyzed by static pressure. The results are shown in (a)–(d). It is indicated that the compressive stress mainly spreads over the shear-slip zone, and the tensile stress is consisted in flank friction zone, shown in (a). The high tensile stress in subsurface is the source of stress, shown in (b). By the driven action of the stress source, the initial stair-rod dislocation nucleates. Then the dislocation climbs along four {1 1 1} planes under the stress driven action, shown in (d). Finally, the SFT is formed by the interaction of the compressive stress and the tensile stress which come from the shear-slip zone and friction zone, respectively. Besides, stair-rod dislocation, stacking faults and dislocation loop are also nucleated in the subsurface, shown in (c). Dislocation distribution, local atomic crystal structure state and stress-induced formation process of SFT by atomic. - Highlights: • A novel defect structure “stress-induced stacking fault tetrahedra” is revealed. • Atomic structural evolution and stress state distribution of the SFT are studied. • The stress-induced formation mechanism of the SFT is proposed. - Abstract: Stacking fault tetrahedra commonly existed in subsurface of deformed face center cubic metals, has great influence on machining precision and surface roughness in nano-cutting. Here we report, a stacking fault tetrahedra is formed in subsurface of workpiece during nano-cutting. The variation of cutting force and subsurface defects distribution are studied by using molecular dynamics simulation. The stress distribution is investigated which is calculated by virial stress and analyzed by static compression. The result shows that the cutting force has a rapidly

On the Sensitivity of Peptide Nucleic Acid Duplex Formation and Crystal Dissolution to a Variation of Force-Field Parameters.

Science.gov (United States)

Bachmann, Stephan J; Lin, Zhixiong; Stafforst, Thorsten; van Gunsteren, Wilfred F; Dolenc, Jožica

2014-01-14

The technique of one-step perturbation to explore the relation between particular force-field parameters on the one hand and particular properties of a biomolecular system on the other hand from one or a few molecular dynamics simulations is applied to investigate the dependence of the free enthalpy of dimer formation and of crystal dissolution of a self-complementary fragment (H-CGTACG-NH2) of peptide nucleic acid, PNA, a mimic of DNA. The simulations show that PNA dimer formation in aqueous solution is favored by a decrease in the base charges with respect to values of the GROMOS 45A4 force field, while it is disfavored by a decrease in the backbone charges. In contrast, crystal dissolution of the PNA dimer is favored by a decrease in base charges, while a variation of backbone charges has a minor effect on this free enthalpy change. These opposite effects in a crystalline versus aqueous solution environment can be understood from the different water contents for these systems and have consequences for biomolecular force-field development.

Optical Basicity and Nepheline Crystallization in High Alumina Glasses

Energy Technology Data Exchange (ETDEWEB)

Rodriguez, Carmen P.; McCloy, John S.; Schweiger, M. J.; Crum, Jarrod V.; Winschell, Abigail E.

2011-02-25

The purpose of this study was to find compositions that increase waste loading of high-alumina wastes beyond what is currently acceptable while avoiding crystallization of nepheline (NaAlSiO4) on slow cooling. Nepheline crystallization has been shown to have a large impact on the chemical durability of high-level waste glasses. It was hypothesized that there would be some composition regions where high-alumina would not result in nepheline crystal production, compositions not currently allowed by the nepheline discriminator. Optical basicity (OB) and the nepheline discriminator (ND) are two ways of describing a given complex glass composition. This report presents the theoretical and experimental basis for these models. They are being studied together in a quadrant system as metrics to explore nepheline crystallization and chemical durability as a function of waste glass composition. These metrics were calculated for glasses with existing data and also for theoretical glasses to explore nepheline formation in Quadrant IV (passes OB metric but fails ND metric), where glasses are presumed to have good chemical durability. Several of these compositions were chosen, and glasses were made to fill poorly represented regions in Quadrant IV. To evaluate nepheline formation and chemical durability of these glasses, quantitative X-ray diffraction (XRD) analysis and the Product Consistency Test were conducted. A large amount of quantitative XRD data is collected here, both from new glasses and from glasses of previous studies that had not previously performed quantitative XRD on the phase assemblage. Appendix A critically discusses a large dataset to be considered for future quantitative studies on nepheline formation in glass. Appendix B provides a theoretical justification for choice of the oxide coefficients used to compute the OB criterion for nepheline formation.

Defect formation and desorption of metal atoms from alkali halide crystals under low energy electron bombardment studied by optical absorption and mass spectroscopy

International Nuclear Information System (INIS)

Seifert, N.R.

1993-04-01

This work presents an extensive investigation of electronically induced desorption of ground-state alkali atoms from alkali halides and for the first time correlates directly the desorption with the stability and spatial distribution of the defects formed during bombardment. The electron impact results in the formation of stable F-centers and F-center clusters in the bulk of the crystals. In striking contrast a significant metallization of the surface is observed. Even at temperatures as low as 90 deg C the metallization is achieved within the time resolution of our detection system, which can only be explained by the rapid diffusion of hot holes. Superimposed to the fast and short diffusion of hot holes is the slow F-center diffusion. Measuring the distribution of defects with low energy ion sputtering techniques indicates that at least in the case of LiF the observed diffusion constant of F-centers agrees with values derived by using methods different from that applied here. At low temperatures the formation of F-center clusters and metal on the surface dominates. Colloid formation clearly requires higher temperatures (typically around 200 deg C). This is a strong evidence that efficient F-center diffusion is necessary for the formation of metallic particles (colloids) in the bulk of the crystals. Desorption of alkali atoms from alkali halides at temperatures around room temperature is due to weakly bound alkali atoms. For elevated temperatures the stability of the metallic clusters in the bulk of the crystals (i.e. colloids) are the rate limiting process. (author)

Crystal structure mediates mode of cell death in TiO2 nanotoxicity

International Nuclear Information System (INIS)

Braydich-Stolle, Laura K.; Schaeublin, Nicole M.; Murdock, Richard C.; Jiang, Jingkun; Biswas, Pratim; Schlager, John J.; Hussain, Saber M.

2009-01-01

Certain properties that nanoparticles possess differentiate them from their bulk counterparts, and these characteristics must be evaluated prior to nanoparticle studies and include: size, shape, dispersion, physical and chemical properties, surface area, and surface chemistry. Early nanotoxicity studies evaluating TiO 2 have yielded conflicting data which identify either size or crystal structure as the mediating property for nano-TiO 2 toxicity. However, it is important to note that none of these studies examined size with the crystal structure composition controlled for or examined crystal structure while controlling the nanoparticle size. The goal of this study was to evaluate the role of size and crystal structure in TiO 2 nanotoxicity while controlling for as many other nanoproperties as possible using the HEL-30 mouse keratinocyte cell line as a model for dermal exposure. In the size-dependent studies, all the nanoparticles are 100% anatase, and aggregate sizes were determined in order to take into account the effect of agglomeration on size-dependent toxicity. In addition, varying crystal structures were assessed while the size of the nanoparticles was controlled. We were able to identify that both size and crystal structure contribute to cytotoxicity and that the mechanism of cell death varies based on crystal structure. The 100% anatase TiO 2 nanoparticles, regardless of size, induced cell necrosis, while the rutile TiO 2 nanoparticles initiated apoptosis through formation of reactive oxygen species (ROS).

Recent Crystal Ball results on resonance formation in photon-photon collisions

International Nuclear Information System (INIS)

Karch, K.H.

1991-04-01

The Crystal Ball detector has been used to analyse the formation of resonances in photon-photon collisions. The π 2 (1670) resonance has been observed in the 3π 0 final state, as well as the η' (958) and X (1900) resonances in the ηπ 0 π 0 final state. The X (1900) decay distributions are consistent with the assumption that it is the J PC = 2 -+ η 2 meson. Preliminary analyses of the 8, 10 and 12γ final states are presented. The tensor meson f 2 (1270) is the most prominent structure in the energy dependence of the total cross section σ (γγ → π 0 π 0 ), but close investigation of the differential cross section indicates the presence of a sizeable S wave contribution. This observation is consistent with a broad scalar meson f 0 (1250), degenerate in mass with the f 2 . Indications for the f 0 (975) mesons have been found, too. (orig.)

Quality evaluation of resistivity-controlled silicon crystals

Science.gov (United States)

Wang, Jong Hoe

2006-01-01

The segregation phenomenon of dopants causes a low production yield of silicon crystal that meets the resistivity tolerance required by device manufacturers. In order to control the macroscopic axial resistivity distribution in bulk crystal growth, numerous studies including continuous Czochralski method and double crucible technique have been studied. The simple B-P codoping method for improving the productivity of p-type silicon single-crystal growth by controlling axial specific resistivity distribution was proposed by Wang [Jpn. J. Appl. Phys. 43 (2004) 4079]. In this work, the quality of Czochralski-grown silicon single crystals with a diameter 200 mm using B-P codoping method was studied from the chemical and structural points of view. It was found that the characteristics of B-P codoped wafers including the oxygen precipitation behavior and the grown-in defects are same as that of conventional B-doped Czochralski crystals.

A multistep single-crystal-to-single-crystal bromodiacetylene dimerization

Science.gov (United States)

Hoheisel, Tobias N.; Schrettl, Stephen; Marty, Roman; Todorova, Tanya K.; Corminboeuf, Clémence; Sienkiewicz, Andrzej; Scopelliti, Rosario; Schweizer, W. Bernd; Frauenrath, Holger

2013-04-01

Packing constraints and precise placement of functional groups are the reason that organic molecules in the crystalline state often display unusual physical or chemical properties not observed in solution. Here we report a single-crystal-to-single-crystal dimerization of a bromodiacetylene that involves unusually large atom displacements as well as the cleavage and formation of several bonds. Density functional theory computations support a mechanism in which the dimerization is initiated by a [2 + 1] photocycloaddition favoured by the nature of carbon-carbon short contacts in the crystal structure. The reaction proceeded up to the theoretical degree of conversion without loss of crystallinity, and it was also performed on a preparative scale with good yield. Moreover, it represents the first synthetic pathway to (E)-1,2-dibromo-1,2-diethynylethenes, which could serve as synthetic intermediates for the preparation of molecular carbon scaffolds. Our findings both extend the scope of single-crystal-to-single-crystal reactions and highlight their potential as a synthetic tool for complex transformations.

Liquid Crystals for Nondestructive Evaluation

Science.gov (United States)

1978-09-01

polarizers (e.g., where p is the distance of alignment or pitch, X is the Nicol, Rochon, and Wollaston prisms ) are based upon peak wavelength of scattered...RANGE OF so 45" 45 - EVENT SEVENT T(°C) TEMPERATUJRE TC)4"TEMPERATURE 40RANGE OF T(°) 0-RANGE OF 40LIQUID ’ ൫" CRYSTAL S 36 3S. 30 0 IS 90 180 - I...Temperatures TI > T2 > - > TS defects was possible using the liquid crystal. are the Average TemperatursI Thes Resptivegi. Kapfer , Burns, Salvo, and Doyle

Rapid formation of cholesterol crystals in gallbladder bile is associated with stone recurrence after laparoscopic cholecystotomy.

Science.gov (United States)

Jüngst, D; del Pozo, R; Dolu, M H; Schneeweiss, S G; Frimberger, E

1997-03-01

Laparoscopic cholecystotomy (LCT) with subsequent extraction of gallstones and primary closure of the gallbladder has been introduced as an alternative therapy for patients with cholecystolithiasis and preserved gallbladder function. However, stone recurrence has to be considered as a major drawback that might be related to lithogenic factors of gallbladder bile or the composition of gallbladder stones. Therefore, these were studied in relation to stone recurrence within an observation period of 1 to 5 years (median, 3.6 years) in 50 patients after LCT. The concentrations of total and individual bile acids, phospholipids, cholesterol, total lipids, mucin, protein, and the cholesterol saturation indices in gallbladder bile were not significantly different between 10 patients with and 40 patients without stone recurrence. However, the crystal observation time was significantly (P < .02) shorter (range, 1-2 days; median, 1.5) in the bile of patients with stone recurrence compared to those without (range, 1-21 days, median 3.5). Moreover, all 10 stone recurrences were observed in the 28 patients with a crystal observation time in the bile of less than or equal to 2 days (approximate annual risk: 12%-15%), and no recurrences were observed in the 22 patients with a crystal observation time greater than 2 days (P < .0001) or in patients with pigment stones. The rapid formation of cholesterol monohydrate crystals in bile seems to be the major risk factor for recurrent stones after LCT. These are most likely cholesterol stones and, therefore, are amenable to oral bile-acid prevention or treatment.

The formation of crystals in glasses containing rare earth oxides

Energy Technology Data Exchange (ETDEWEB)

Fadzil, Syazwani Mohd [Pohang University of Science and Technology (POSTECH), Pohang (Korea, Republic of); Hrma, Pavel [Pohang University of Science and Technology (POSTECH), Pohang, South Korea and Pacific Northwest National Laboratory, Richland, Washington (United States); Crum, Jarrod [Pacific Northwest National Laboratory, Richland, Washington (United States); Siong, Khoo Kok; Ngatiman, Mohammad Fadzlee; Said, Riduan Mt [National University of Malaysia, Bandar Baru Bangi, Selangor (Malaysia)

2014-02-12

Korean spent nuclear fuel will reach the capacity of the available temporary storage by 2016. Pyroprocessing and direct disposal seems to be an alternative way to manage and reuse spent nuclear fuel while avoiding the wet reprocessing technology. Pyroprocessing produces several wastes streams, including metals, salts, and rare earths, which must be converted into stabilized form. A suitable form for rare earth immobilization is borosilicate glass. The borosilicate glass form exhibits excellent durability, allows a high waste loading, and is easy to process. In this work, we combined the rare earths waste of composition (in wt%) 39.2Nd{sub 2}O{sub 3}–22.7CeO{sub 2}–11.7La{sub 2}O{sub 3}–10.9PrO{sub 2}–1.3Eu{sub 2}O{sub 3}–1.3Gd{sub 2}O{sub 3}–8.1Sm{sub 2}O{sub 3}–4.8Y{sub 2}O{sub 3} with a baseline glass of composition 60.2SiO{sub 2}–16.0B{sub 2}O{sub 3}–12.6Na{sub 2}O–3.8Al{sub 2}O{sub 3}–5.7CaO–1.7ZrO{sub 2}. Crystallization in waste glasses occurs as the waste loading increases. It may produce complicate glass processing and affect the product quality. To study crystal formation, we initially made glasses containing 5%, 10% and 15% of La{sub 2}O{sub 3} and then glasses with 5%, 10% and 15% of the complete rare earth mix. Samples were heat-treated for 24 hours at temperatures 800°C to 1150°C in 50°C increments. Quenched samples were analyzed using an optical microscope, scanning electron microscope with energy dispersive spectroscopy, and x-ray diffraction. Stillwellite (LaBSiO{sub 5}) and oxyapatite (Ca{sub 2}La{sub 8}Si{sub 6}O{sub 26}) were found in glasses containing La{sub 2}O{sub 3}, while oxyapatite (Ca{sub 2}La{sub 8}Si{sub 6}O{sub 26} and NaNd{sub 9}Si{sub 6}O{sub 26}) precipitated in glasses with additions of mixed rare earths. The liquidus temperature (T{sub L}) of the glasses containing 5%, 10% and 15% La{sub 2}O{sub 3} were 800°C, 959°C and 986°C, respectively; while T{sub L} was 825°C, 1059°C and 1267°C for glasses

Formation of structured nanophases in halide crystals

Czech Academy of Sciences Publication Activity Database

Kulveit, Jan; Demo, Pavel; Polák, Karel; Sveshnikov, Alexey; Kožíšek, Zdeněk

2013-01-01

Roč. 5, č. 6 (2013), s. 561-564 ISSN 2164-6627 R&D Projects: GA ČR GAP108/12/0891 Institutional support: RVO:68378271 Keywords : halide crystals * nucleation Subject RIV: BM - Solid Matter Physics ; Magnetism http://www.aspbs.com/asem.html#v5n6

Changes in copper sulfate crystal habit during cooling crystallization

Science.gov (United States)

Giulietti, M.; Seckler, M. M.; Derenzo, S.; Valarelli, J. V.

1996-09-01

The morphology of technical grade copper(II) sulfate pentahydrate crystals produced from batch cooling experiments in the temperature range of 70 to 30°C is described and correlated with the process conditions. A slow linear cooling rate (batch time of 90 min) predominantly caused the appearance of well-formed crystals. Exponential cooling (120 min) resulted in the additional formation of agglomerates and twins. The presence of seeds for both cooling modes led to round crystals, agglomerates and twins. Fast linear cooling (15 min) gave rise to a mixture of the former types. Broken crystals and adhering fragments were often found. Growth zoning was pronounced in seeded and linear cooling experiments. Fluid inclusions were always found and were more pronounced for larger particles. The occurrence of twinning, zoning and fluid inclusions was qualitatively explained in terms of fundamental principles.

Carboxylic acids in crystallization of macromolecules: learning from successful crystallization experiments.

Science.gov (United States)

Offermann, Lesa R; He, John Z; Mank, Nicholas J; Booth, William T; Chruszcz, Maksymilian

2014-03-01

The production of macromolecular crystals suitable for structural analysis is one of the most important and limiting steps in the structure determination process. Often, preliminary crystallization trials are performed using hundreds of empirically selected conditions. Carboxylic acids and/or their salts are one of the most popular components of these empirically derived crystallization conditions. Our findings indicate that almost 40 % of entries deposited to the Protein Data Bank (PDB) reporting crystallization conditions contain at least one carboxylic acid. In order to analyze the role of carboxylic acids in macromolecular crystallization, a large-scale analysis of the successful crystallization experiments reported to the PDB was performed. The PDB is currently the largest source of crystallization data, however it is not easily searchable. These complications are due to a combination of a free text format, which is used to capture information on the crystallization experiments, and the inconsistent naming of chemicals used in crystallization experiments. Despite these difficulties, our approach allows for the extraction of over 47,000 crystallization conditions from the PDB. Initially, the selected conditions were investigated to determine which carboxylic acids or their salts are most often present in crystallization solutions. From this group, selected sets of crystallization conditions were analyzed in detail, assessing parameters such as concentration, pH, and precipitant used. Our findings will lead to the design of new crystallization screens focused around carboxylic acids.

Performance evaluation of a crystal-enhanced collimation system for the LHC

CERN Document Server

Previtali, Valentina; Assmann, Ralph

2010-01-01

The Large Hadron Collider (LHC) has been constructed at CERN (Conseil Européen pour la Recherche Nucléaire, Geneva, Switzerland), and recently started up. The LHC beams, currently accelerated to 3.5 TeV, are meant to reach the nominal energy of 7 TeV, and a total stored energy, in nominal conditions, of 360 MJ per beam. The contrast between the huge stored power and the delicate cryogenic environment calls for a sophisticated collimation system. For overcoming the limitations of the actual collimation system, different upgrade solutions have been considered; this Ph.D. work gives a first performance evaluation of a crystal-enhanced collimation system by analytical, experimental and simulation investigations. In this work, two crystal collimation experiments are described: the T980 (Teva- tron, Chicago, U.S.) and the UA9 (SPS, CERN, Geneva, Switzerland). The data are analyzed and actual crystal performances are measured. These experimental results and their cross-check with dedicated simulations constitute...

An in-situ X-ray diffraction study on the electrochemical formation of PtZn alloys on Pt(1 1 1) single crystal electrode

Energy Technology Data Exchange (ETDEWEB)

Drnec, J., E-mail: drnec@esrf.fr [ESRF, Grenoble (France); Bizzotto, D. [Department of Chemistry, AMPEL, University of British Columbia, Vancouver, BC (Canada); Carlà, F. [ESRF, Grenoble (France); Fiala, R. [Charles University, Faculty of Mathematics and Physics, Prague (Czech Republic); Sode, A. [Ruhr-Universität Bochum, Bochum (Germany); Balmes, O.; Detlefs, B.; Dufrane, T. [ESRF, Grenoble (France); Felici, R., E-mail: felici@esrf.fr [ESRF, Grenoble (France)

2015-11-01

Highlights: • PtZn electrochemical alloying is observed on single crystal Pt electrodes. • In-situ X-ray characterization during alloy formation and dissolution is provided. • Structural model of the surface during alloying and dissolution is discussed. • X-ray based techniques can be used in in-operando studies of bimetallic fuel cell catalysts. - Abstract: The electrochemical formation and dissolution of the oxygen reduction reaction (ORR) PtZn catalyst on Pt(1 1 1) surface is followed by in-situ X-ray diffraction (XRD) and X-ray reflectivity (XRR) measurements. When the crystalline Pt surface is polarized to sufficiently negative potential values, with respect to an Ag/AgCl|KCl reference electrode, the electrodeposited zinc atoms diffuse into the bulk and characteristic features are observed in the X-ray patterns. The surface structure and composition during deposition and dissolution is determined from analysis of XRR curves and measurements of crystal truncation rods. Thin Zn-rich surface layer is present during the alloy formation while a Zn-depleted layer forms during dissolution.

Solid state synthesis, crystal growth and optical properties of urea and p-chloronitrobenzene solid solution

Energy Technology Data Exchange (ETDEWEB)

Rai, R.N., E-mail: rn_rai@yahoo.co.in [Department of Chemistry, Centre of Advanced Study, Banaras Hindu University, Varanasi 221005 (India); Kant, Shiva; Reddi, R.S.B. [Department of Chemistry, Centre of Advanced Study, Banaras Hindu University, Varanasi 221005 (India); Ganesamoorthy, S. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102, Tamilnadu (India); Gupta, P.K. [Laser Materials Development & Devices Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India)

2016-01-15

Urea is an attractive material for frequency conversion of high power lasers to UV (for wavelength down to 190 nm), but its usage is hindered due to its hygroscopic nature, though there is no alternative organic NLO crystal which could be transparent up to 190 nm. The hygroscopic character of urea has been modified by making the solid solution (UCNB) of urea (U) and p-chloronitrobenzene (CNB). The formation of the solid solution of CNB in U is explained on the basis of phase diagram, powder XRD, FTIR, elemental analysis and single crystal XRD studies. The solubility of U, CNB and UCNB in ethanol solution is evaluated at different temperatures. Transparent single crystals of UCNB are grown from its saturated solution in ethanol. Optical properties e.g., second harmonic generation (SHG), refractive index and the band gap for UCNB crystal were measured and their values were compared with the parent compounds. Besides modification in hygroscopic nature, UCNB has also shown the higher SHG signal and mechanical hardness in comparison to urea crystal. - Highlights: • The hygroscopic character of urea was modified by making the solid solution • Solid solution formation is support by elemental, powder- and single crystal XRD • Crystal of solid solution has higher SHG signal and mechanical stability. • Refractive index and band gap of solid solution crystal have determined.

Crystal structure mediates mode of cell death in TiO{sub 2} nanotoxicity

Energy Technology Data Exchange (ETDEWEB)

Braydich-Stolle, Laura K.; Schaeublin, Nicole M.; Murdock, Richard C. [Wright-Patterson AFB, Applied Biotechnology Branch, Human Effectiveness Directorate, Air Force Research Laboratory (United States); Jiang, Jingkun; Biswas, Pratim [Washington University in St. Louis, Department of Energy, Environmental, and Chemical Engineering (United States); Schlager, John J.; Hussain, Saber M., E-mail: Saber.Hussain@wpafb.af.mi [Wright-Patterson AFB, Applied Biotechnology Branch, Human Effectiveness Directorate, Air Force Research Laboratory (United States)

2009-08-15

Certain properties that nanoparticles possess differentiate them from their bulk counterparts, and these characteristics must be evaluated prior to nanoparticle studies and include: size, shape, dispersion, physical and chemical properties, surface area, and surface chemistry. Early nanotoxicity studies evaluating TiO{sub 2} have yielded conflicting data which identify either size or crystal structure as the mediating property for nano-TiO{sub 2} toxicity. However, it is important to note that none of these studies examined size with the crystal structure composition controlled for or examined crystal structure while controlling the nanoparticle size. The goal of this study was to evaluate the role of size and crystal structure in TiO{sub 2} nanotoxicity while controlling for as many other nanoproperties as possible using the HEL-30 mouse keratinocyte cell line as a model for dermal exposure. In the size-dependent studies, all the nanoparticles are 100% anatase, and aggregate sizes were determined in order to take into account the effect of agglomeration on size-dependent toxicity. In addition, varying crystal structures were assessed while the size of the nanoparticles was controlled. We were able to identify that both size and crystal structure contribute to cytotoxicity and that the mechanism of cell death varies based on crystal structure. The 100% anatase TiO{sub 2} nanoparticles, regardless of size, induced cell necrosis, while the rutile TiO{sub 2} nanoparticles initiated apoptosis through formation of reactive oxygen species (ROS).

Resonance formation in γγ-collisions - as observed with the Crystal Ball detector

International Nuclear Information System (INIS)

Bienlein, J.K.

1991-01-01

Analysis of two-photon reactions with the Crystal Ball detector at the DORIS-II e + e - storage ring (E beam = 5 GeV) resulted in a complete set of data on γγ-formation of mesons. The data are best represented by their helicity matrix elements. For isoscalar mesons the mixing of non-strange and strange quark constituents can be derived. A highly efficient selection of the channel γγ → π 0 π 0 yielded 7000 events with (M(π 0 π 0 ) > 800 MeV/c 2 . A partial wave decomposition became possible and showed under the f 2 (1270) a scalar meson resonance f 0 (1250) with 4.0 standard deviations. In the same analysis 23 events of γγ → ηη have been found. (orig.)

Nitric acid adduct formation during crystallization of barium and strontium nitrates and their co-precipitation from nitric acid media

International Nuclear Information System (INIS)

Mishina, N.E.; Zilberman, B.Ya.; Lumpov, A.A.; Koltsova, T.I.; Puzikov, E.A.; Ryabkov, D.V.

2015-01-01

The molar solubilities of Ba, Sr and Pb nitrates in nitric acid as a function of total nitrate concentration is presented and described by the mass action law, indicating on formation of the adducts with nitric acid. Precipitates of Ba(NO 3 ) 2 and Sr(NO 3 ) 2 crystallized from nitric acid were studied by ISP OES and IR spectroscopy. The data obtained confirmed formation of metastable adducts with nitric acid. IR and X-ray diffraction studies of the mixed salt systems indicated conversion of the mixed salts into (Ba,Sr)(NO 3 ) 2 solid solution of discrete structure in range of total nitrate ion concentration ∼6 mol/L. (author)

Evaluation of secondary crystallization effect in poly hydroxybutyrate and silanized coir dust composites

International Nuclear Information System (INIS)

Mello, Carolina C. de; Costa, Marysilvia F. da; Thire, Rossana M.S.M.

2011-01-01

Polyhydroxybutyrate is a natural and biodegradable polyester, susceptible to secondary crystallization when it is stored at environment temperature. Coir dust is an agroindustrial waste which has good prospects for use as filler in composites. In this context, PHB-coir dust composites were produced. The compatibilization was made by coir dust silanization. The secondary crystallization evolution on materials was evaluated by x-ray diffraction. Its effect was verified by tension tests which presented that elastic modulus increases when crystallinity increases. (author)

Chiral domain formation from the mixture of achiral rod-like liquid crystal and tri boomerang-shaped molecule

Science.gov (United States)

Lee, Ji-Hoon; Yoon, Tae-Hoon

2013-08-01

Spontaneous formation of chiral domains such as a helical filament and a bent-broom texture was observed from the mixture of a rod-like liquid crystal octylcyano-biphenyl (8CB) and a tri boomerang-shaped 2,4,6-triphenoxy-1,3,5-triazine (triphenoxy) molecule. Although the constituent molecules were achiral, their mixture showed the chiral domains with the equal fraction of the opposite handedness. No tilt of 8CB molecules in the smectic layer was observed, implying the chirality is not due to the polar packing and tilt of the molecules. In addition, the splay and bend elastic constant of 8CB was decreased after doping triphenoxy. A structural conformation of triphenoxy and an orientational coupling between 8CB and triphenoxy are considered to be related to the chiral domain formation.

Out-of-equilibrium processes in suspensions of oppositely charged colloids: liquid-to-crystal nucleation and gel formation

Science.gov (United States)

Sanz, Eduardo

2009-03-01

We study the kinetics of the liquid-to-crystal transformation and of gel formation in colloidal suspensions of oppositely charged particles. We analyse, by means of both computer simulations and experiments, the evolution of a fluid quenched to a state point of the phase diagram where the most stable state is either a homogeneous crystalline solid or a solid phase in contact with a dilute gas. On the one hand, at high temperatures and high packing fractions, close to an ordered-solid/disordered-solid coexistence line, we find that the fluid-to-crystal pathway does not follow the minimum free energy route. On the other hand, a quench to a state point far from the ordered-crystal/disordered-crystal coexistence border is followed by a fluid-to-solid transition through the minimum free energy pathway. At low temperatures and packing fractions we observe that the system undergoes a gas-liquid spinodal decomposition that, at some point, arrests giving rise to a gel-like structure. Both our simulations and experiments suggest that increasing the interaction range favors crystallization over vitrification in gel-like structures. [4pt] In collaboration with Chantal Valeriani, Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University, Princetonplein 5, 3584 CC Utrecht, The Netherlands and SUPA, School of Physics, University of Edinburgh, JCMB King's Buildings, Mayfield Road, Edinburgh EH9 3JZ, UK; Teun Vissers, Andrea Fortini, Mirjam E. Leunissen, and Alfons van Blaaderen, Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University; Daan Frenke, FOM Institute for Atomic and Molecular Physics, Kruislaan 407, 1098 SJ Amsterdam, The Netherlands and Department of Chemistry, University of Cambridge, Lensfield Road, CB2 1EW, Cambridge, UK; and Marjolein Dijkstra, Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University.

Single crystalline growth of a soluble organic semiconductor in a parallel aligned liquid crystal solvent using rubbing-treated polyimide films

Science.gov (United States)

Matsuzaki, Tomoya; Shibata, Yosei; Takeda, Risa; Ishinabe, Takahiro; Fujikake, Hideo

2017-01-01

For directional control of organic single crystals, we propose a crystal growth method using liquid crystal as the solvent. In this study, we examined the formation of 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT) single crystals using a parallel aligned liquid crystal (LC) cell and rubbing-treated polyimide films in order to clarify the effects of LC alignment on anisotropic C8-BTBT crystal growth. Based on the results, we found that the crystal growth direction of C8-BTBT single crystals was related to the direction of the aligned LC molecules because of rubbing treatment. Moreover, by optical evaluation, we found that the C8-BTBT single crystals have a aligned molecular structure.

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.

Polymorphism of felodipine co-crystals with 4,4'-bipyridine

DEFF Research Database (Denmark)

Surov, Artem Olegovich; Solanko, Katarzyna A.; Bond, Andrew

2014-01-01

-crystal is the most thermodynamically stable phase. The difference in the crystal lattice energies between different polymorphs of the co-crystal is found to be comparable with that between the polymorphic forms of pure felodipine. The enthalpies of formation of the co-crystals are small, which indicates...

Ibuprofen-Amino Acids Co-Crystal Screening Via Co-Grinding Methods

Directory of Open Access Journals (Sweden)

Othman Muhamad Fitri

2016-01-01

Full Text Available The importance of pharmaceutical co-crystals now has been recognized in order to improve the research and development in pharmaceutical industries. Low solubility of active pharmaceutical ingredient (API has led to the growth of new pharmaceutical co-crystals formation as it enhances the physicochemical properties of the API. In this works, preparation of new co-crystal formation between ibuprofen (IBP with selected amino acid compounds were performed by using dry grinding and liquid assisted grinding (LAG techniques. Ibuprofen (IBP was selected as the API meanwhile glycine (GLY, L-alanine (ALA and L-proline (PRO were selected as co-crystal former (CCF agents. The products of IBP-co-former from grinding experiments for the formation of co-crystals were characterized and verified using X-Ray Powder Diffraction (XRPD, Differential Scanning Calorimetry (DSC and Fourier Transform Infra-Red Spectroscopy (FTIR. The finding reveals that the IBP-PRO co-crystals have successfully formed. For IBP-PRO system, new crystalline peaks from XRPD were recorded at 2θ values of 4.374°, 5.436° and 10.944° from dry grinding technique and 4.41°, 5.436° and 10.962° for liquid assisted grinding (LAG technique. A new melting point of 257.49 °C was discovered for IBP-ALA indicates the possibility of co-crystals formation. On the other hand, the analysis for IBP-GLY shows that no co-crystals formed in the system.

Crystallization of glass-forming liquids: Specific surface energy

International Nuclear Information System (INIS)

Schmelzer, Jürn W. P.; Abyzov, Alexander S.

2016-01-01

A generalization of the Stefan-Skapski-Turnbull relation for the melt-crystal specific interfacial energy is developed in terms of the generalized Gibbs approach extending its standard formulation to thermodynamic non-equilibrium states. With respect to crystal nucleation, this relation is required in order to determine the parameters of the critical crystal clusters being a prerequisite for the computation of the work of critical cluster formation. As one of its consequences, a relation for the dependence of the specific surface energy of critical clusters on temperature and pressure is derived applicable for small and moderate deviations from liquid-crystal macroscopic equilibrium states. Employing the Stefan-Skapski-Turnbull relation, general expressions for the size and the work of formation of critical crystal clusters are formulated. The resulting expressions are much more complex as compared to the respective relations obtained via the classical Gibbs theory. Latter relations are retained as limiting cases of these more general expressions for moderate undercoolings. By this reason, the formulated, here, general relations for the specification of the critical cluster size and the work of critical cluster formation give a key for an appropriate interpretation of a variety of crystallization phenomena occurring at large undercoolings which cannot be understood in terms of the Gibbs’ classical treatment.

Liquid Crystal Enabled Early Stage Detection of Beta Amyloid Formation on Lipid Monolayers

Energy Technology Data Exchange (ETDEWEB)

Sadati, Monirosadat [Institute for Molecular Engineering, University of Chicago, Chicago IL 60637 USA; Apik, Aslin Izmitli [Chemical and Biological Engineering, University of Wisconsin, Madison WI 53706 USA; Armas-Perez, Julio C. [Institute for Molecular Engineering, University of Chicago, Chicago IL 60637 USA; Martinez-Gonzalez, Jose [Institute for Molecular Engineering, University of Chicago, Chicago IL 60637 USA; Hernandez-Ortiz, Juan P. [Institute for Molecular Engineering, University of Chicago, Chicago IL 60637 USA; Departamento de Materiales y Minerales, Facultad de Minas, Universidad Nacional de Colombia, Sede Medellín, Calle 75 # 79A-51, Bloque M17 Medellín Colombia; Abbott, Nicholas L. [Chemical and Biological Engineering, University of Wisconsin, Madison WI 53706 USA; de Pablo, Juan J. [Institute for Molecular Engineering, University of Chicago, Chicago IL 60637 USA; Argonne National Laboratory, Argonne IL 60439 USA

2015-09-09

Liquid crystals (LCs) can serve as sensitive reporters of interfacial events, and this property has been used for sensing of synthetic or biological toxins. Here it is demonstrated that LCs can distinguish distinct molecular motifs and exhibit a specific response to beta-sheet structures. That property is used to detect the formation of highly toxic protofibrils involved in neurodegenerative diseases, where it is crucial to develop methods that probe the early-stage aggregation of amyloidogenic peptides in the vicinity of biological membranes. In the proposed method, the amyloid fibrils formed at the lipid-decorated LC interface can change the orientation of LCs and form elongated and branched structures that are amplified by the mesogenic medium; however, nonamyloidogenic peptides form ellipsoidal domains of tilted LCs. Moreover, a theoretical and computational analysis is used to reveal the underlying structure of the LC, thereby providing a detailed molecular-level view of the interactions and mechanisms responsible for such motifs. The corresponding signatures can be detected at nanomolar concentrations of peptide by polarized light microscopy and much earlier than the ones that can be identified by fluorescence-based techniques. As such, it offers the potential for early diagnoses of neurodegenerative diseases and for facile testing of inhibitors of amyloid formation.

Co-Crystal Screening of Diclofenac

Directory of Open Access Journals (Sweden)

John Desper

2011-08-01

Full Text Available In the pharmaceutical industry, co-crystals are becoming increasingly valuable as crystalline solids that can offer altered/improved physical properties of an active pharmaceutical ingredient (API without changing its chemical identity or biological activity. In order to identify new solid forms of diclofenac—an analgesic with extremely poor aqueous solubility for which few co-crystal structures have been determined—a range of pyrazoles, pyridines, and pyrimidines were screened for co-crystal formation using solvent assisted grinding and infrared spectroscopy with an overall success rate of 50%. The crystal structures of three new diclofenac co-crystals are reported herein: (diclofenac∙(2-aminopyrimidine, (diclofenac∙(2-amino-4,6-dimethylpyrimidine, and (diclofenac∙(2-amino-4-chloro-6-methylpyrimidine.

Co-crystal screening of diclofenac.

Science.gov (United States)

Aakeröy, Christer B; Grommet, Angela B; Desper, John

2011-08-31

In the pharmaceutical industry, co-crystals are becoming increasingly valuable as crystalline solids that can offer altered/improved physical properties of an active pharmaceutical ingredient (API) without changing its chemical identity or biological activity. In order to identify new solid forms of diclofenac-an analgesic with extremely poor aqueous solubility for which few co-crystal structures have been determined-a range of pyrazoles, pyridines, and pyrimidines were screened for co-crystal formation using solvent assisted grinding and infrared spectroscopy with an overall success rate of 50%. The crystal structures of three new diclofenac co-crystals are reported herein: (diclofenac)∙(2-aminopyrimidine), (diclofenac)∙(2-amino-4,6-dimethylpyrimidine), and (diclofenac)∙(2-amino-4-chloro-6-methylpyrimidine).

Improved success of sparse matrix protein crystallization screening with heterogeneous nucleating agents.

Directory of Open Access Journals (Sweden)

Anil S Thakur

2007-10-01

Full Text Available Crystallization is a major bottleneck in the process of macromolecular structure determination by X-ray crystallography. Successful crystallization requires the formation of nuclei and their subsequent growth to crystals of suitable size. Crystal growth generally occurs spontaneously in a supersaturated solution as a result of homogenous nucleation. However, in a typical sparse matrix screening experiment, precipitant and protein concentration are not sampled extensively, and supersaturation conditions suitable for nucleation are often missed.We tested the effect of nine potential heterogenous nucleating agents on crystallization of ten test proteins in a sparse matrix screen. Several nucleating agents induced crystal formation under conditions where no crystallization occurred in the absence of the nucleating agent. Four nucleating agents: dried seaweed; horse hair; cellulose and hydroxyapatite, had a considerable overall positive effect on crystallization success. This effect was further enhanced when these nucleating agents were used in combination with each other.Our results suggest that the addition of heterogeneous nucleating agents increases the chances of crystal formation when using sparse matrix screens.

Formative Evaluation of a Neuroanatomy Course

Science.gov (United States)

Sterret, Patrick R.; Littlefield, John H.

1976-01-01

Student cognitive performance data and affective reactions provided the basis for a formative evaluation of this neuroanatomy curriculum for freshmen medical students. The cerebral hempispheres topic area was marked by poor cognitive performance and low ratings in lecture quality. Videotapes designed to augment neurophysiology also received low…

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...

Updating the FORECAST formative evaluation approach and some implications for ameliorating theory failure, implementation failure, and evaluation failure

Science.gov (United States)

Katz, Jason; Wandersman, Abraham; Goodman, Robert M.; Griffin, Sarah; Wilson, Dawn K.; Schillaci, Michael

2013-01-01

Historically, there has been considerable variability in how formative evaluation has been conceptualized and practiced. FORmative Evaluation Consultation And Systems Technique (FORECAST) is a formative evaluation approach that develops a set of models and processes that can be used across settings and times, while allowing for local adaptations and innovations. FORECAST integrates specific models and tools to improve limitations in program theory, implementation, and evaluation. In the period since its initial use in a federally funded community prevention project in the early 1990s, evaluators have incorporated important formative evaluation innovations into FORECAST, including the integration of feedback loops and proximal outcome evaluation. In addition, FORECAST has been applied in a randomized community research trial. In this article, we describe updates to FORECAST and the implications of FORECAST for ameliorating failures in program theory, implementation, and evaluation. PMID:23624204

EVALUATION OF SODIUM CHLORIDE CRYSTALLIZATION IN MEMBRANE DISTILLATION CRYSTALLIZATION APPLIED TO WATER DESALINATION

Directory of Open Access Journals (Sweden)

Y. N. Nariyoshi

Full Text Available Abstract Crystallization in a Direct Contact Membrane Distillation (DCMD process was studied both theoretically and experimentally. A mathematical model was proposed in order to predict the transmembrane flux in DCMD. The model fitted well experimental data for the system NaCl-H2O from undersaturated to supersaturated conditions in a specially designed crystallization setup at a bench scale. It was found that higher transmembrane fluxes induce higher temperature and concentration polarizations, as well as higher supersaturation in the vicinity of the solution-vapor interface. In this region, the supersaturation ratio largely exceeded the metastable limit for NaCl crystallization for the whole range of transmembrane fluxes of 0.37 to 1.54 kg/ (m2 h, implying that heterogeneous primary nucleation occurred close to such interface either in solution or on the membrane surface. Solids formed in solution accounted for 14 to 36% of the total solids, whereas solid formed on the membrane surface (fouling was responsible for 6 to 19%. The remaining solids deposited on other surfaces such as in pumps and pipe fittings. It was also discovered that, by increasing the supersaturation ratio, heterogeneous nucleation in solution increased and on the membrane surface decreased. Heterogeneous nuclei in solution grew in size both by a molecular mechanism and by agglomeration. Single crystals were cubic shaped with well-formed edges and dominant size of about 40 µm whereas agglomerates were about 240 µm in size. The approach developed here may be applied to understanding crystallization phenomena in Membrane Distillation Crystallization (MDC processes of any scale.

Radiation Damage in Scintillating Crystals

CERN Document Server

Zhu Ren Yuan

1998-01-01

Crystal Calorimetry in future high energy physics experiments faces a new challenge to maintain its precision in a hostile radiation environment. This paper discusses the effects of radiation damage in scintillating crystals, and concludes that the predominant radiation damage effect in crystal scintillators is the radiation induced absorption, or color center formation, not the loss of the scintillation light yield. The importance of maintaining crystal's light response uniformity and the feasibility to build a precision crystal calorimeter under radiation are elaborated. The mechanism of the radiation damage in scintillating crystals is also discussed. While the damage in alkali halides is found to be caused by the oxygen or hydroxyl contamination, it is the structure defects, such as oxygen vacancies, cause damage in oxides. Material analysis methods used to reach these conclusions are presented in details.

Hot spot formation and chemical reaction initiation in shocked HMX crystals with nanovoids: a large-scale reactive molecular dynamics study.

Science.gov (United States)

Zhou, Tingting; Lou, Jianfeng; Zhang, Yangeng; Song, Huajie; Huang, Fenglei

2016-07-14

We report million-atom reactive molecular dynamic simulations of shock initiation of β-cyclotetramethylene tetranitramine (β-HMX) single crystals containing nanometer-scale spherical voids. Shock induced void collapse and subsequent hot spot formation as well as chemical reaction initiation are observed which depend on the void size and impact strength. For an impact velocity of 1 km s(-1) and a void radius of 4 nm, the void collapse process includes three stages; the dominant mechanism is the convergence of upstream molecules toward the centerline and the downstream surface of the void forming flowing molecules. Hot spot formation also undergoes three stages, and the principal mechanism is kinetic energy transforming to thermal energy due to the collision of flowing molecules on the downstream surface. The high temperature of the hot spot initiates a local chemical reaction, and the breakage of the N-NO2 bond plays the key role in the initial reaction mechanism. The impact strength and void size have noticeable effects on the shock dynamical process, resulting in a variation of the predominant mechanisms leading to void collapse and hot spot formation. Larger voids or stronger shocks result in more intense hot spots and, thus, more violent chemical reactions, promoting more reaction channels and generating more reaction products in a shorter duration. The reaction products are mainly concentrated in the developed hot spot, indicating that the chemical reactivity of the hmx crystal is greatly enhanced by void collapse. The detailed information derived from this study can aid a thorough understanding of the role of void collapse in hot spot formation and the chemical reaction initiation of explosives.

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...

Phase relations in the Cabeza de Araya cordierite monzogranite, Iberian Massif: implications for the formation of cordierite in a crystal mush

Energy Technology Data Exchange (ETDEWEB)

García Moreno, O.; Corretgé, L.G.; Holtz, F.; García-Arias, M.; Rodriguez, C.

2017-07-01

Experimental investigations and thermodynamic calculations of the phase relations of a cordierite-rich monzogranite from the Cabeza de Araya batholith (Cáceres, Spain) have been performed to understand the formation of cordierite. The experiments failed to crystallize cordierite in the pressure range 200-600MPa, in the temperature range 700-975ºC and for different water activities (melt water contents between 2 and 6 wt.%). In contrast, clinopyroxene and orthopyroxene (absent in the natural mineral rock assemblage), together with biotite, were observed as ferromagnesian assemblage in a wide range of experimental conditions. Thermodynamic calculations, using the software PERPLE{sub X}, describe the formation of cordierite only at 200 and 400MPa and very low water contents, and the amount of cordierite formed in the models is always below 3.5 vol.%. The results indicate that cordierite is not in equilibrium with the bulk rock compositions. The most probable explanation was that cordierite nucleated and crystallized from a melt that is not in equilibrium with part of the mineral assemblage present in the magma. This “non-reactive” mineral assemblage was mainly composed of plagioclase. The silicate melts from which cordierite crystallized was more Al-rich and K-rich than the silicate melt composition in equilibrium with the bulk composition. One possible process for the high Al content of the silicate melt is related to assimilation and partial melting of Al-rich metasediments. An exo-perictetic reaction is assumed to account for both textural and geochemical observations. On the other hand, hybridization processes typical for calc-alkaline series can also explain the high proportions of “non-reactive” minerals observed in relatively high temperature magmas. This study clearly demonstrates that silicate melts in a crystal mush can depart significantly from the composition of melt that should be in equilibrium with the bulk solid assemblage.

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.

Carotenoid crystal formation in Arabidopsis and carrot roots caused by increased phytoene synthase protein levels.

Directory of Open Access Journals (Sweden)

Dirk Maass

Full Text Available BACKGROUND: As the first pathway-specific enzyme in carotenoid biosynthesis, phytoene synthase (PSY is a prime regulatory target. This includes a number of biotechnological approaches that have successfully increased the carotenoid content in agronomically relevant non-green plant tissues through tissue-specific PSY overexpression. We investigated the differential effects of constitutive AtPSY overexpression in green and non-green cells of transgenic Arabidopsis lines. This revealed striking similarities to the situation found in orange carrot roots with respect to carotenoid amounts and sequestration mechanism. METHODOLOGY/PRINCIPAL FINDINGS: In Arabidopsis seedlings, carotenoid content remained unaffected by increased AtPSY levels although the protein was almost quantitatively imported into plastids, as shown by western blot analyses. In contrast, non-photosynthetic calli and roots overexpressing AtPSY accumulated carotenoids 10 and 100-fold above the corresponding wild-type tissues and contained 1800 and 500 microg carotenoids per g dry weight, respectively. This increase coincided with a change of the pattern of accumulated carotenoids, as xanthophylls decreased relative to beta-carotene and carotene intermediates accumulated. As shown by polarization microscopy, carotenoids were found deposited in crystals, similar to crystalline-type chromoplasts of non-green tissues present in several other taxa. In fact, orange-colored carrots showed a similar situation with increased PSY protein as well as carotenoid levels and accumulation patterns whereas wild white-rooted carrots were similar to Arabidopsis wild type roots in this respect. Initiation of carotenoid crystal formation by increased PSY protein amounts was further confirmed by overexpressing crtB, a bacterial PSY gene, in white carrots, resulting in increased carotenoid amounts deposited in crystals. CONCLUSIONS: The sequestration of carotenoids into crystals can be driven by the

Liquid Crystal Formation from Sunflower Oil: Long Term Stability Studies.

Science.gov (United States)

da Rocha-Filho, Pedro Alves; Maruno, Mônica; Ferrari, Márcio; Topan, José Fernando

2016-06-09

The Brazilian biodiversity offers a multiplicity of raw materials with great potential in cosmetics industry applications. Some vegetable oils and fatty esters increase skin hydration by occlusivity, keeping the skin hydrated and with a shiny appearance. Sunflower (Helianthus annus L.) oil is widely employed in cosmetic emulsions in the form of soaps, creams, moisturizers and skin cleansers due to the presence of polyphenols and its high vitamin E content. Liquid crystals are systems with many applications in both pharmaceutical and cosmetic formulations and are easily detected by microscopy under polarized light due to their birefringence properties. The aim of this research was to develop emulsions from natural sunflower oil for topical uses. Sunflower oil (75.0% w/w) was combined with liquid vaseline (25.0% w/w) employing a natural self-emulsifying base (SEB) derivative. The high temperature of the emulsification process did not influence the antioxidant properties of sunflower oil. Fatty esters were added to cosmetic formulations and extended stability tests were performed to characterize the emulsions. Fatty esters like cetyl palmitate and cetyl ester increase the formation of anisotropic structures. O/W emulsions showed acidic pH values and pseudoplastic behavior. The presence of a lamellar phase was observed after a period of 90 days under different storage conditions.

A Genetic Analysis of Crystal Growth

DEFF Research Database (Denmark)

Brown, Stanley; Sarikaya, Mehmet; Johnson, E.

2000-01-01

The regulation of crystal morphology by proteins is often observed in biology. It is a central feature in the formation of hard tissues such as bones, teeth and mollusc shells. We have developed a genetic system in the bacterium Escherichia coli to study the protein-mediated control of crystal...

Photonic crystal fiber monitors for intracellular ice formation

Science.gov (United States)

Battinelli, Emily; Reimlinger, Mark; Wynne, Rosalind

2012-04-01

An all-silica steering wheel photonic crystal fiber (SW-PCF) device with real-time analysis for cellular temperature sensing is presented. Results are provided for water-filled SW-PCF fibers experiencing cooling down near -40°C. Cellular temperature sensors with fast response times are of interest particularly to the study of cryopreservation, which has been influential in applications such as tissue preservation, food quality control, genetic engineering, as well as drug discovery and in- vitro toxin testing. Results of this investigation are relevant to detection of intracellular ice formation (IIF) and better understanding cell freezing at very low temperatures. IIF detection is determined as a function of absorption occurring within the core of the SW-PCF. The SW-PCF has a 3.3μm core diameter, 125μm outer diameter and steering wheel-like air hole pattern with triangular symmetry, with a 20μm radius. One end of a 0.6m length of the SW-PCF is placed between two thermoelectric coolers, filled with ~0.1μL water. This end is butt coupled to a 0.5m length of single mode fiber (SMF), the distal end of the fiber is then inserted into an optical spectrum analyzer. A near-IR light source is guided through the fiber, such that the absorption of the material in the core can be measured. Spectral characteristics demonstrated by the optical absorption of the water sample were present near the 1300-1700nm window region with strongest peaks at 1350, 1410 and 1460nm, further shifting of the absorption peaks is possible at cryogenic temperatures making this device suitable for IIF monitoring applications.

Hopper Growth of Salt Crystals.

Science.gov (United States)

Desarnaud, Julie; Derluyn, Hannelore; Carmeliet, Jan; Bonn, Daniel; Shahidzadeh, Noushine

2018-06-07

The growth of hopper crystals is observed for many substances, but the mechanism of their formation remains ill understood. Here we investigate their growth by performing evaporation experiments on small volumes of salt solutions. We show that sodium chloride crystals that grow very fast from a highly supersaturated solution form a peculiar form of hopper crystal consisting of a series of connected miniature versions of the original cubic crystal. The transition between cubic and such hopper growth happens at a well-defined supersaturation where the growth rate of the cubic crystal reaches a maximum (∼6.5 ± 1.8 μm/s). Above this threshold, the growth rate varies as the third power of supersaturation, showing that a new mechanism, controlled by the maximum speed of surface integration of new molecules, induces the hopper growth of cubic crystals in cascade.

Adhesion, biofilm formation, cell surface hydrophobicity, and antifungal planktonic susceptibility: relationship among Candida spp.

OpenAIRE

Silva-Dias, Ana; Miranda, Isabel M.; Branco, Joana; Monteiro-Soares, Matilde; Pina-Vaz, Cid?lia; Rodrigues, Ac?cio G.

2015-01-01

We have performed the characterization of the adhesion profile, biofilm formation, cell surface hydrophobicity (CSH) and antifungal susceptibility of 184 Candida clinical isolates obtained from different human reservoirs. Adhesion was quantified using a flow cytometric assay and biofilm formation was evaluated using two methodologies: XTT and crystal violet assay. CSH was quantified with the microbial adhesion to hydrocarbons test while planktonic susceptibility was assessed accordingly the C...

Radiation damage in the alkali halide crystals

International Nuclear Information System (INIS)

Diller, K.M.

1975-10-01

A general review is given of the experimental data on radiation damage in the alkali halide crystals. A report is presented of an experimental investigation of irradiation produced interstitial dislocation loops in NaCl. These loops are found to exhibit the usual growth and coarsening behaviour during thermal annealing which operates by a glide and self-climb mechanism. It is shown that the recombination of defects in these crystals is a two stage process, and that the loss of interstitials stabilized at the loops is caused by extrinsic vacancies. The theoretical techniques used in simulating point defects in ionic crystals are described. Shell model potentials are derived for all the alkali halide crystals by fitting to bulk crystal data. The fitting is supplemented by calculations of the repulsive second neighbour interactions using methods based on the simple electron gas model. The properties of intrinsic and substitutional impurity defects are calculated. The HADES computer program is used in all the defect calculations. Finally the report returns to the problems of irradiation produced interstitial defects. The properties of H centres are discussed; their structure, formation energies, trapping at impurities and dimerization. The structure, formation energies and mobility of the intermediate and final molecular defects are then discussed. The thermodynamics of interstitial loop formation is considered for all the alklai halide crystals. The nucleation of interstitial loops in NaCl and NaBr is discussed, and the recombination of interstitial and vacancy defects. The models are found to account for all the main features of the experimental data. (author)

Studies on growth, crystal structure and characterization of novel organic nicotinium trifluoroacetate single crystals

Energy Technology Data Exchange (ETDEWEB)

Dhanaraj, P.V. [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603 110 (India); Rajesh, N.P., E-mail: rajeshnp@hotmail.com [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603 110 (India); Sundar, J. Kalyana; Natarajan, S. [Department of Physics, Madurai Kamaraj University, Madurai 625 021 (India); Vinitha, G. [Department of Physics, Crescent Engineering College, Chennai 600 048 (India)

2011-09-15

Highlights: {yields} Good quality crystals of nicotinium trifluoroacetate in monoclinic system were grown for first time. {yields} Nicotinium trifluoroacetate crystal exhibits third order nonlinear optical properties. {yields} The optical spectrum of nicotinium trifluoroacetate crystal reveals the wide transmission in the entire range with cutoff wavelength at 286 nm. {yields} Nicotinium trifluoroacetate is a low dielectric constant material. - Abstract: An organic material, nicotinium trifluoroacetate (NTF) was synthesized and single crystals in monoclinic system were grown from aqueous solution for the first time. Its solubility and metastable zone width were estimated. The crystal structure of NTF was analyzed to reveal the molecular arrangements and the formation of hydrogen bonds in the crystal. High-resolution X-ray diffraction rocking curve measurements were performed to analyze the structural perfection of the grown crystals. Functional groups in NTF were identified by Fourier transform infrared spectral analysis. Thermal behaviour and stability of NTF were studied by thermogravimetric and differential thermal analysis and differential scanning calorimetry. Mechanical and dielectric properties of NTF crystals were analyzed. Optical studies reveal that NTF crystals are transparent in the wavelength range 286-1100 nm. The third order nonlinear optical parameters of NTF were derived by the Z-scan technique.

CCDC 1446070: Experimental Crystal Structure Determination : tris(Pentafluorophenyl)-(triethylsilyl formate)-boron

KAUST Repository

Chen, Jiawei

2016-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1446069: Experimental Crystal Structure Determination : tris(Pentafluorophenyl)-(triethylsilyl formate)-aluminium

KAUST Repository

Chen, Jiawei

2016-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

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.

[Formative evaluation: experience of the Catalonian family and community medicine teaching units].

Science.gov (United States)

Ezquerra Lezcano, Matilde; Bundo Vidiella, Magda; Descarrega Queralt, Ramón; Martín Zurro, Amando; Fores García, Dolores; Fornells Vallès, Josep Maria

2010-04-01

The purpose of this article is to report on the experience in formative evaluation that was carried out in the Catalonian family and community medicine teaching units during the years 2001-2007. This formative evaluation project included the use of several evaluation tools such as, self-listening, video-recording, structured observation of clinical practice, cases by computer and simulated patients. Different resident intakes have participated in the development of the project, as well as their teaching unit tutors and coordinators. This accumulated experience has allowed it to progress into the field of formative evaluation, and to adapt and integrate the activities that were being carried out in a resident portfolio, which in our opinion is the best tool for the formative evaluation of the family medicine resident. Copyright 2009 Elsevier España, S.L. All rights reserved.

Coke formation during the methanol-to-olefin conversion: in situ microspectroscopy on individual H-ZSM-5 crystals with different Brønsted acidity

NARCIS (Netherlands)

Mores, D.; Kornatowski, J.; Olsbye, U.; Weckhuysen, B.M.

2011-01-01

Coke formation during the methanol-to-olefin (MTO) conversion has been studied at the single-particle level with in situ UV/Vis and confocal fluorescence microscopy. For this purpose, large H-ZSM-5 crystals differing in their Si/Al molar ratio have been investigated. During MTO, performed at 623 and

Investment Portfolio Formation Using Multi-criteria evaluation Method MULTIMOORA

Directory of Open Access Journals (Sweden)

Vilius Vaišvilas

2017-06-01

Full Text Available Information that has to be analyzed by investors is complicated and can be interpreted differently by different people, which is why choosing what should be added to the investment portfolio is complicated task. Complexity grows substantially when there are more alternatives to choose from. Multi – criteria evaluation method can be used to choose the best alternatives. Multi–criteria evaluation method MULTIMOORA is not subjective because there is no need to decide ratio of any given variable that is evaluated. MULTIMOORA consists of: formation of ratio system, application of multi – criteria evaluation method as well as investment evaluation and ranking. Purpose of this article is to apply multi – criteria evaluation method MULTIMOORA for the formation and management of investment portfolio from stocks of the Baltic stock market companies. Methods used in the analysis for the article: analysis of scientific literature, statistical analysis, organization and comparison of data, idealization, calculations of MULTIMOORA.

Lack of Co-crystal Formation with Cyclotriphosphazenes: A ...

African Journals Online (AJOL)

NICOLAAS

systematic study due to the ease of synthesis of a variety of sub- stituted derivatives from hexachlorocyclotriphosphazene,. (NPCl2)3.2a,4c,8 Despite this, there have been few systematic crystal engineering studies on cyclotriphosphazenes.9 Chandrasekhar et al.9a used cyclotriphosphazenes and the principles of direc-.

Simulation of crystalline pattern formation by the MPFC method

Directory of Open Access Journals (Sweden)

Starodumov Ilya

2017-01-01

Full Text Available The Phase Field Crystal model in hyperbolic formulation (modified PFC or MPFC, is investigated as one of the most promising techniques for modeling the formation of crystal patterns. MPFC is a convenient and fundamentally based description linking nano-and meso-scale processes in the evolution of crystal structures. The presented model is a powerful tool for mathematical modeling of the various operations in manufacturing. Among them is the definition of process conditions for the production of metal castings with predetermined properties, the prediction of defects in the crystal structure during casting, the evaluation of quality of special coatings, and others. Our paper presents the structure diagram which was calculated for the one-mode MPFC model and compared to the results of numerical simulation for the fast phase transitions. The diagram is verified by the numerical simulation and also strongly correlates to the previously calculated diagrams. The computations have been performed using software based on the effective parallel computational algorithm.

Adsorption, Desorption, Surface Diffusion, Lattice Defect Formation, and Kink Incorporation Processes of Particles on Growth Interfaces of Colloidal Crystals with Attractive Interactions

Directory of Open Access Journals (Sweden)

Yoshihisa Suzuki

2016-07-01

Full Text Available Good model systems are required in order to understand crystal growth processes because, in many cases, precise incorporation processes of atoms or molecules cannot be visualized easily at the atomic or molecular level. Using a transmission-type optical microscope, we have successfully observed in situ adsorption, desorption, surface diffusion, lattice defect formation, and kink incorporation of particles on growth interfaces of colloidal crystals of polystyrene particles in aqueous sodium polyacrylate solutions. Precise surface transportation and kink incorporation processes of the particles into the colloidal crystals with attractive interactions were observed in situ at the particle level. In particular, contrary to the conventional expectations, the diffusion of particles along steps around a two-dimensional island of the growth interface was not the main route for kink incorporation. This is probably due to the number of bonds between adsorbed particles and particles in a crystal; the number exceeds the limit at which a particle easily exchanges its position to the adjacent one along the step. We also found novel desorption processes of particles from steps to terraces, attributing them to the assistance of attractive forces from additionally adsorbing particles to the particles on the steps.

Co-crystal formation between two organic solids on the surface of Titan

Science.gov (United States)

Cable, M. L.; Vu, T. H.; Maynard-Casely, H. E.; Hodyss, R. P.

2017-12-01

Laboratory experiments of Titan molecular materials, informed by modeling, can help us to understand the complex and dynamic surface processes occurring on this moon at cryogenic temperatures. We previously demonstrated that two common organic materials on Titan, ethane and benzene, form a unique and stable co-crystalline structure at Titan surface temperatures. We have now characterized a second co-crystal that is stable on Titan, this time between two solids: acetylene and ammonia. The co-crystal forms within minutes at Titan surface temperature, as evidenced by new Raman spectral features in the lattice vibration and C-H bending regions. In addition, a red shift of the C-H stretching mode suggests that the acetylene-ammonia co-crystal is stabilized by a network of C-H···N interactions. Thermal stability studies indicate that this co-crystal remains intact to >110 K, and experiments with liquid methane and ethane reveal the co-crystal to be resistant to fluvial or pluvial exposure. Non-covalently bound structures such as these co-crystals point to far more complex surface interactions than previously believed on Titan. New physical and mechanical properties (deformation, plasticity, density, etc.), differences in storage of key species (i.e., ethane versus methane), variations in surface transport and new chemical gradients can all result in diverse surface features and chemistries of astrobiological interest.

Thermally stimulated luminescence of KDP activated crystals

International Nuclear Information System (INIS)

Tagaeva, B.S.

2005-01-01

The aim of this work is the study of recombination luminescence pure and doped by the ions Tl, Se, Pb and Cu of crystals double potassium phosphates (KDP) at irradiation by X-rays. It is established that in the given crystals mechanisms for under-threshold defect formation are realize. The impurity ions results the basic crystal light sum redistribution in the TL peaks. Explanations for some phenomena are given. (author)

Macromolecular crystallization in microgravity generated by a superconducting magnet.

Science.gov (United States)

Wakayama, N I; Yin, D C; Harata, K; Kiyoshi, T; Fujiwara, M; Tanimoto, Y

2006-09-01

About 30% of the protein crystals grown in space yield better X-ray diffraction data than the best crystals grown on the earth. The microgravity environments provided by the application of an upward magnetic force constitute excellent candidates for simulating the microgravity conditions in space. Here, we describe a method to control effective gravity and formation of protein crystals in various levels of effective gravity. Since 2002, the stable and long-time durable microgravity generated by a convenient type of superconducting magnet has been available for protein crystal growth. For the first time, protein crystals, orthorhombic lysozyme, were grown at microgravity on the earth, and it was proved that this microgravity improved the crystal quality effectively and reproducibly. The present method always accompanies a strong magnetic field, and the magnetic field itself seems to improve crystal quality. Microgravity is not always effective for improving crystal quality. When we applied this microgravity to the formation of cubic porcine insulin and tetragonal lysozyme crystals, we observed no dependence of effective gravity on crystal quality. Thus, this kind of test will be useful for selecting promising proteins prior to the space experiments. Finally, the microgravity generated by the magnet is compared with that in space, considering the cost, the quality of microgravity, experimental convenience, etc., and the future use of this microgravity for macromolecular crystal growth is discussed.

CRYSTAL-QUASICHEMICAL ANALYSIS OF DEFECT SUBSYSTEM OF DOPED PbTe: Sb CRYSTALS AND Pb-Sb-Te SOLID SOLUTIONS

Directory of Open Access Journals (Sweden)

D.M. Freik

2014-05-01

Full Text Available Within crystalquasichemical formalism models of point defects of crystals in the Pb-Sb-Te system were specified. Based on proposed crystalquasichemical formulae of antimony doped crystals PbTe:Sb amphoteric dopant effect was explained. Mechanisms of solid solution formation for РbТе-Sb2Те3: replacement of antimony ions lead sites  with the formation of cation vacancies  (I or neutral interstitial tellurium atoms  (II were examined. Dominant point defects in doped crystals PbTe:Sb and РbТе-Sb2Те3 solid solutions based on p-PbTe were defined. Dependences of concentration of dominant point defects, current carriers and Hall concentration on content of dopant compound and the initial deviation from stoichiometry in the basic matrix were calculated.

Formation rate of natural gas hydrate

Energy Technology Data Exchange (ETDEWEB)

Mork, Marit

2002-07-01

The rate of methane hydrate and natural gas hydrate formation was measured in a 9.5 litre stirred tank reactor of standard design. The experiments were performed to better understand the performance and scale-up of a reactor for continuous production of natural gas hydrates. The hydrate formation rate was measured at steady-state conditions at pressures between 70 and 90 bar and temperatures between 7 and 15 deg C. Between 44 and 56 % of the gas continuously supplied to the reactor was converted to hydrate. The experimental results show that the rate of hydrate formation is strongly influenced by gas injection rate and pressure. The effect of stirring rate is less significant and subcooling has no observable effect on the formation rate. Hydrate crystal concentration and gas composition do not influence the hydrate formation rate. Observations of produced hydrate crystals indicate that the crystals are elongated, about 5 micron in diameter and 10 micron long. Analysis of the results shows that the rate of hydrate formation is dominated by gas-liquid mass transfer. A mass transfer model, the bubble-to-crystal model, was developed for the hydrate formation rate in a continuous stirred tank reactor, given in terms of concentration driving force and an overall mass transfer coefficient. The driving force is the difference between the gas concentration at the gas-liquid interface and at the hydrate crystal surface. These concentrations correspond to the solubility of gas in water at experimental temperature and pressure and the solubility of gas at hydrate equilibrium temperature and experimental pressure, respectively. The overall mass transfer coefficient is expressed in terms of superficial gas velocity and impeller power consumption, parameters commonly used in study of stirred tank reactors. Experiments and modeling show that the stirred tank reactor has a considerable potential for increased production capacity. However, at higher hydrate production rates the

Nucleation and Crystal Growth in the Formation of Hierarchical Three-Dimensional Nanoarchitecture

Energy Technology Data Exchange (ETDEWEB)

Wang, Xudong [Univ. of Wisconsin, Madison, WI (United States)

2018-02-02

This project is to obtain fundamental understandings of the operation of the Ostwald-Lussac (OL) Law and the oriented attachment (OA) mechanism in nucleation and growth of TiO2 nanorods (NR) via surface-reaction-limited pulsed chemical vapor deposition (SPCVD) process. Three-dimensional (3D) NW networks are a unique type of mesoporous architecture that offers extraordinary surface area density and superior transport properties of electrons, photons, and phonons. It is exceptionally promising for advancing the design and application of functional materials for photovoltaic devices, catalysts beds, hydrogen storage systems, sensors, and battery electrodes. Our group has developed the SPCVD technique by mimicking the mechanism of atomic layer deposition (ALD), which effectively decoupled the crystal growth from precursor concentration while retaining anisotropic 1D growth. For the first time, this technique realized a 3D NW architecture with ultrahigh density and achieved ~4-5 times enhancement on photo-conversion efficiency. Through the support of our current DOE award, we revealed the governing role of the OL Law in the nucleation stage of SPCVD. The formation of NR morphology in SPCVD was identified following the OA mechanism. We also discovered a unique vapor-phase Kirkendall effect in the evolution of tubular or core-shell NR structures. These understandings opened many new opportunities in designing 3D NW architectures with improved properties or new functionalities. Specifically, our accomplishments from this project include five aspects: (1) Observation of the Ostwald-Lussac Law in high-temperature ALD. (2) Observation of vapor-solid Kirkendall effect in ZnO-to-TiO2 nanostructure conversion. (3) Development of highly-efficient capillary photoelectrochemical (PEC) solar-fuel generation. (4) Development of efficient and stable electrochemical protections for black silicon PEC electrodes. (5) Development of doped polymers with tunable electrical properties. This

Ultra compact spectrometer apparatus and method using photonic crystals

Science.gov (United States)

Ting, David Z. (Inventor); Hill, Cory J. (Inventor); Bandara, Sumith V. (Inventor); Gunapala, Sarath D. (Inventor)

2009-01-01

The present invention is directed to methods of photonic crystal formation, and to methods and apparatus for using such photonic crystals, particularly in conjunction with detector arrays. Photonic crystal parameters and detector array parameters are compared to optimize the selection and orientation of a photonic crystal shape. A photonic crystal is operatively positioned relative to a plurality of light sensors. The light sensors can be separated by a pitch distance and positioned within one half of the pitch distance of an exit surface of the photonic crystals.

Parity violation and parity conservation in unstirred crystallization: Effect of first crystals

Energy Technology Data Exchange (ETDEWEB)

Szurgot, M. [Center of Mathematics and Physics, Technical University of Lodz (Poland)

2012-02-15

Statistics of nucleation of chiral forms was studied to establish the effect of the number of first crystals and their handedness on distributions of enantiomers. Various bimodal, trimodal and unimodal distributions are obtained in unstirred crystallization, depending on the number of initial crystals and growth conditions. The binomial distribution satisfactorily describes experimental distributions of enantiomeric excess and may be used to predict distributions and probabilities of nucleation of enantiomers. The first nucleated crystals determine the handedness of secondary crystals, and number of initial crystals governs statistics of chiral nucleation. According to the binomial distribution if single crystals nucleate as the first, the bimodal distributions result with D and L peaks. If LD, LL, and DD pairs are nucleated as first, trimodal distributions with D, R, and L peaks are created, and if groups of crystals of various handedness nucleate as the first the unimodal distributions of enantiomeric excess with racemate R peaks are formed. Chiral nucleation experiments on sodium bromate were the basis for the theoretical considerations and verifications of predictions resulting from binomial distributions on probabilities of the creation of L and D crystals, and racemates, and the presence of D, L, and R peaks in the distributions. Growth conditions affect the number of the first crystals and effectiveness of cloning, and as a result, the distributions of enantiomers. Formation of pure enantiomers and/or racemates proves that the conservation of chiral symmetry, and the breakage of chiral symmetry can occur in unstirred crystallization. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Homogenization Experiments of Crystal-Rich Inclusions in Spodumene from Jiajika Lithium Deposit, China, under Elevated External Pressures in a Hydrothermal Diamond-Anvil Cell

Directory of Open Access Journals (Sweden)

Jiankang Li

2017-01-01

Full Text Available Extensive studies of the crystal-rich inclusions (CIs hosted in minerals in pegmatite have resulted in substantially different models for the formation mechanism of the pegmatite. In order to evaluate these previously proposed formation mechanisms, the total homogenization processes of CIs hosted in spodumene from the Jiajika pegmatite deposit in Sichuan, China, were observed in situ under external H2O pressures in a new type of hydrothermal diamond-anvil cell (HDAC. The CIs in a spodumene chip were loaded in the sample chamber of HDAC with water, such that the CIs were under preset external H2O pressures during heating to avoid possible decrepitation. Our in situ observations showed that the crystals within the CIs were dissolved in carbonic-rich aqueous fluid during heating and that cristobalite was usually the first mineral being dissolved, followed by zabuyelite and silicate minerals until their total dissolution at temperatures between 500 and 720°C. These observations indicated that the minerals within the CIs were daughter minerals crystallized from an entrapped carbonate- and silica-rich aqueous solution and therefore provided useful information for evaluating the formation models of granitic pegmatites.

Bacterial Ice Crystal Controlling Proteins

Science.gov (United States)

Lorv, Janet S. H.; Rose, David R.; Glick, Bernard R.

2014-01-01

Across the world, many ice active bacteria utilize ice crystal controlling proteins for aid in freezing tolerance at subzero temperatures. Ice crystal controlling proteins include both antifreeze and ice nucleation proteins. Antifreeze proteins minimize freezing damage by inhibiting growth of large ice crystals, while ice nucleation proteins induce formation of embryonic ice crystals. Although both protein classes have differing functions, these proteins use the same ice binding mechanisms. Rather than direct binding, it is probable that these protein classes create an ice surface prior to ice crystal surface adsorption. Function is differentiated by molecular size of the protein. This paper reviews the similar and different aspects of bacterial antifreeze and ice nucleation proteins, the role of these proteins in freezing tolerance, prevalence of these proteins in psychrophiles, and current mechanisms of protein-ice interactions. PMID:24579057

Features of structure formation in the low modulus quasi-single crystal from Zr-25%Nb alloy at cold rolling

Science.gov (United States)

Isaenkova, M.; Perlovich, Yu.; Fesenko, V.; Babich, Y.; Zaripova, M.; Krapivka, N.

2018-05-01

The paper presents the results of investigation of the regularities of the structure and texture formation during rolling of single crystals of Zr-25%Nb alloy differing in their initial orientations relative to the external principal directions in the rolled plate: normal (ND) and rolling directions (RD). The features of rolled single crystals with initial orientations of planes {001}, {011} or {111} parallel to the rolling plane and different crystallographic directions along RD are considered. A comparison of the peculiarities of plastic deformation in a polycrystalline alloy of the same composition is made. For the samples studied, a decrease in the lattice parameter of the β-phase has been recorded, the minimum of the parameter being observed for different degrees of deformation, varying from 20 to 50%. Observed decrease in the unit cell parameter can be connected with the precipitation of the α(α')-Zr phase from the deformed nonequilibrium β-phase of the Zr-25%Nb alloy, i.e. change in the composition of the solid solution. Distributions of the increase in the dimensions of the deformed single crystal along RD and the transverse direction (TD) with its deformation up to 30% in thickness, which indicate the anisotropy of the plasticity of single crystals during their rolling, are constructed on stereographic projection. It is shown, that the deformation of single crystals occurs practically without increasing of their dimensions in the direction with a total thickness deformation of up to 30%. Direction is characterized by maximum hardening (microhardness) with indentation along it, which causes low plasticity of deformed and annealed foils from Zr-25%Nb alloy at the stretching along and across RD, that is connected with the features of their crystallographic texture.

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.

The Effect of Radiation "Memory" in Alkali-Halide Crystals

Science.gov (United States)

Korovkin, M. V.; Sal'nikov, V. N.

2017-01-01

The exposure of the alkali-halide crystals to ionizing radiation leads to the destruction of their structure, the emergence of radiation defects, and the formation of the electron and hole color centers. Destruction of the color centers upon heating is accompanied by the crystal bleaching, luminescence, and radio-frequency electromagnetic emission (REME). After complete thermal bleaching of the crystal, radiation defects are not completely annealed, as the electrons and holes released from the color centers by heating leave charged and locally uncompensated defects. Clusters of these "pre centers" lead to electric microheterogeneity of the crystal, the formation of a quasi-electret state, and the emergence of micro-discharges accompanied by radio emission. The generation of REME associated with residual defectiveness, is a manifestation of the effect of radiation "memory" in dielectrics.

Protein-crystal growth experiment (planned)

Science.gov (United States)

Fujita, S.; Asano, K.; Hashitani, T.; Kitakohji, T.; Nemoto, H.; Kitamura, S.

1988-01-01

To evaluate the effectiveness of a microgravity environment on protein crystal growth, a system was developed using 5 cubic feet Get Away Special payload canister. In the experiment, protein (myoglobin) will be simultaneously crystallized from an aqueous solution in 16 crystallization units using three types of crystallization methods, i.e., batch, vapor diffusion, and free interface diffusion. Each unit has two compartments: one for the protein solution and the other for the ammonium sulfate solution. Compartments are separated by thick acrylic or thin stainless steel plates. Crystallization will be started by sliding out the plates, then will be periodically recorded up to 120 hours by a still camera. The temperature will be passively controlled by a phase transition thermal storage component and recorded in IC memory throughout the experiment. Microgravity environment can then be evaluated for protein crystal growth by comparing crystallization in space with that on Earth.

Radiation-induced defect-formation in lithium hydride and deuteride monocrystals. [Electron and X-ray irradiation

Energy Technology Data Exchange (ETDEWEB)

Pustovarov, V.A.; Betenekova, T.A.; Zav' yalov, N.A.; Cholakh, S.O. (Ural' skij Politekhnicheskij Inst., Sverdlovsk (USSR))

1983-08-01

Methods of stationary and pulse absorption spectroscopy were used to investigate into processes of formation and decay of radiation defects in cubic LiH and LiD crystals. F- and V-centers form at low temperatures during crystal irradiation by photons, creating excitons selectively, accelerator electrons, X-ray radiation. Analysis of possible mechanisms of defect formation shows that radiation defect formation in LiH is based on radiationless exciton decay. It is shown that efficiency of F- and V-centers generation in pure and impure crystals in 80-298 K range is the same. Exciton decay with formation of Frenkel radiation defects in pure LiH and LiD crystals takes place, probably, in regular crystal lattice points. Process of radiation defect formation as a result of near activator exciton decay takes place in impure LiH-Na, LiD-Na crystals.

Nacre biomineralisation: A review on the mechanisms of crystal nucleation.

Science.gov (United States)

Nudelman, Fabio

2015-10-01

The wide diversity of biogenic minerals that is found in nature, each with its own morphology, mechanical properties and composition, is remarkable. In order to produce minerals that are optimally adapted for their function, biomineralisation usually occurs under strict cellular control. This control is exerted by specialised proteins and polysaccharides that assemble into a 3-dimensional organic matrix framework, forming a microenvironment where mineral deposition takes place. Molluscs are unique in that they use a striking variety of structural motifs to build their shells, each made of crystals with different morphologies and different calcium carbonate polymorphs. Much of want is known about mollusc shell formation comes from studies on the nacreous layer, or mother-of-pearl. In this review, we discuss two existing models on the nucleation of aragonite crystals during nacre formation: heteroepitaxial nucleation and mineral bridges. The heteroepitaxial nucleation model is based on the identification of chemical functional groups and aragonite-nucleating proteins at the centre of crystal imprints. It proposes that during nacre formation, each aragonite tablet nucleates independently on a nucleation site that is formed by acidic proteins and/or glycoproteins adsorbed on the chitin scaffold. The mineral bridges model is based on the identification of physical connections between the crystals in a stack, which results in a large number of crystals across several layers sharing the same crystallographic orientation. These observations suggest that there is one nucleation event per stack of tablets. Once the first crystal nucleates and reaches the top interlamellar matrix, it continues growing through pores, giving rise to the next layer of nacre, subsequently propagating into a stack. We compare both models and propose that they work in concert to control crystal nucleation in nacre. De novo crystal nucleation has to occur at least once per stack of aligned crystals

Possible Mechanisms for Turbofan Engine Ice Crystal Icing at High Altitude

Science.gov (United States)

Tsao, Jen-Ching; Struk, Peter M.; Oliver, Michael J.

2016-01-01

A thermodynamic model is presented to describe possible mechanisms of ice formation on unheated surfaces inside a turbofan engine compression system from fully glaciated ice crystal clouds often formed at high altitude near deep convective weather systems. It is shown from the analysis that generally there could be two distinct types of ice formation: (1) when the "surface freezing fraction" is in the range of 0 to 1, dominated by the freezing of water melt from fully or partially melted ice crystals, the ice structure is formed from accretion with strong adhesion to the surface, and (2) when the "surface melting fraction" is the range of 0 to 1, dominated by the further melting of ice crystals, the ice structure is formed from accumulation of un-melted ice crystals with relatively weak bonding to the surface. The model captures important qualitative trends of the fundamental ice-crystal icing phenomenon reported earlier (Refs. 1 and 2) from the research collaboration work by NASA and the National Research Council (NRC) of Canada. Further, preliminary analysis of test data from the 2013 full scale turbofan engine ice crystal icing test (Ref. 3) conducted in the NASA Glenn Propulsion Systems Laboratory (PSL) has also suggested that (1) both types of ice formation occurred during the test, and (2) the model has captured some important qualitative trend of turning on (or off) the ice crystal ice formation process in the tested engine low pressure compressor (LPC) targeted area under different icing conditions that ultimately would lead to (or suppress) an engine core roll back (RB) event.

Pyrophosphate-Inhibition of Apatite Formation Studied by In Situ X-Ray Diffraction

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Casper Jon Steenberg Ibsen

2018-02-01

Full Text Available The pathways to crystals are still under debate, especially for materials relevant to biomineralization, such as calcium phosphate apatite known from bone and teeth. Pyrophosphate is widely used in biology to control apatite formation since it is a potent inhibitor of apatite crystallization. The impacts of pyrophosphate on apatite formation and crystallization kinetics are, however, not fully understood. Therefore, we studied apatite crystallization in water by synchrotron in situ X-ray diffraction. Crystallization was conducted from calcium chloride (0.2 M and sodium phosphate (0.12 M at pH 12 where hydrogen phosphate is the dominant phosphate species and at 60 °C to allow the synchrotron measurements to be conducted in a timely fashion. Following the formation of an initial amorphous phase, needle shaped crystals formed that had an octacalcium phosphate-like composition, but were too small to display the full 3D periodic structure of octacalcium phosphate. At later growth stages the crystals became apatitic, as revealed by changes in the lattice constant and calcium content. Pyrophosphate strongly inhibited nucleation of apatite and increased the onset of crystallization from minute to hour time scales. Pyrophosphate also reduced the rate of growth. Furthermore, when the pyrophosphate concentration exceeded ~1% of the calcium concentration, the resultant crystals had reduced size anisotropy suggesting that pyrophosphate interacts in a site-specific manner with the formation of apatite crystals.

Mucin 4 Gene Silencing Reduces Oxidative Stress and Calcium Oxalate Crystal Formation in Renal Tubular Epithelial Cells Through the Extracellular Signal-Regulated Kinase Signaling Pathway in Nephrolithiasis Rat Model

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Ling Sun

2018-05-01

Full Text Available Background/Aims: Nephrolithiasis plagues a great number of patients all over the world. Increasing evidence shows that the extracellular signal-regulated kinase (ERK signaling pathway and renal tubular epithelial cell (RTEC dysfunction and attrition are central to the pathogenesis of kidney diseases. Mucin 4 (MUC4 is reported as an activator of ERK signaling pathway in epithelial cells. In this study, using rat models of calcium oxalate (CaOx nephrolithiasis, the present study aims to define the roles of MUC4 and ERK signaling pathway as contributors to oxidative stress and CaOx crystal formation in RTEC. Methods: Data sets of nephrolithiasis were searched using GEO database and a heat flow map was drawn. Then MUC4 function was predicted. Wistar rats were prepared for the purpose of model establishment of ethylene glycol and ammonium chloride induced CaOx nephrolithiasis. In order to assess the detailed regulatory mechanism of MUC4 silencing on the ERK signaling pathway and RTEC, we used recombinant plasmid to downregulate MUC4 expression in Wistar rat-based models. Samples from rat urine, serum and kidney tissues were reviewed to identify oxalic acid and calcium contents, BUN, Cr, Ca2+ and P3+ levels, calcium crystal formation in renal tubules and MUC4 positive expression rate. Finally, RT-qPCR, Western blot analysis, and ELISA were employed to access oxidative stress state and CaOx crystal formation in RTEC. Results: Initially, MUC4 was found to have an influence on the process of nephrolithiasis. MUC4 was upregulated in the CaOx nephrolithiasis model rats. We proved that the silencing of MUC4 triggered the inactivation of ERK signaling pathway. Following the silencing of MUC4 or the inhibition of ERK signaling pathway, the oxalic acid and calcium contents in rat urine, BUN, Cr, Ca2+ and P3+ levels in rat serum, p-ERK1/2, MCP-1 and OPN expressions in RTEC and H2O2 and MDA levels in the cultured supernatant were downregulated, but the GSH

Indium Gallium Zinc Oxide: Phase Formation and Crystallization Kinetics during Millisecond Laser Spike Annealing

Science.gov (United States)

Lynch, David Michael

Flat panel displays have become ubiquitous, enabling products from highresolution cell phones to ultra-large television panels. Amorphous silicon (a- Si) has been the industry workhorse as the active semiconductor in pixeladdressing transistors due to its uniformity and low production costs. However, a-Si can no longer support larger and higher-resolution displays, and new materials with higher electron mobilities are required. Amorphous indium gallium zinc oxide (a-IGZO), which retains the uniformity and low cost of amorphous films, has emerged as a viable candidate due to its enhanced transport properties. However, a-IGZO devices suffer from long-term instabilities--the origins of which are not yet fully understood--causing a drift in switching characteristics over time and affecting product lifetime. More recently, devices fabricated from textured nanocrystalline IGZO, termed c-axis aligned crystalline (CAAC), have demonstrated superior stability. Unfortunately, little is known regarding the phase formation and crystallization kinetics of either the CAAC structure or in the broader ternary IGZO system. Crystallinity and texture of CAAC IGZO films deposited by RF reactive sputtering were studied and characterized over a wide range of deposition conditions. The characteristic CAAC (0 0 9) peak at 2theta = 30° was observed by X-ray diffraction, and nanocrystalline domain texture was determined using a general area detector diffraction system (GADDS). Highly ordered CAAC films were obtained near the InGaZnO4 composition at a substrate temperature of 310 °C and in a 10%O2/90% Ar sputtering ambient. High-resolution transmission electron microscopy (HRTEM) confirmed the formation of CAAC and identified 2-3 nm domains coherently aligned over large ranges extending beyond the field of view (15 nm x 15 nm). Cross-section HRTEM of the CAAC/substrate interface shows formation of an initially disordered IGZO layer prior to CAAC formation, suggesting a nucleation mechanism

Evaluating the Fraser Health Balanced Scorecard--a formative evaluation.

Science.gov (United States)

Barnardo, Catherine; Jivanni, Amin

2009-01-01

Fraser Health (FH), a large, Canadian, integrated health care network, adopted the Balanced Scorecard (BSC) approach to monitor organizational performance in 2006. This paper reports on the results of a formative evaluation, conducted in April, 2008, to assess the usefulness of the BSC as a performance-reporting system and a performance management tool. Results indicated that the BSC has proven to be useful for reporting performance but is not currently used for performance management in a substantial way.

Diffusion in Coulomb crystals.

Science.gov (United States)

Hughto, J; Schneider, A S; Horowitz, C J; Berry, D K

2011-07-01

Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions "hop" in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter Γ=175 to Coulomb parameters up to Γ=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous.

An improved strategy for the crystallization of Leishmania mexicana pyruvate kinase

International Nuclear Information System (INIS)

Morgan, Hugh P.; McNae, Iain W.; Hsin, Kun-Yi; Michels, Paul A. M.; Fothergill-Gilmore, Linda A.; Walkinshaw, Malcolm D.

2010-01-01

The first crystal structure of Leishmania mexicana pyruvate kinase (LmPYK) obtained at a neutral pH. LmPYK was co-crystallized with the small molecule 1,3,6,8-pyrenetetrasulfonic acid, which provides a helpful intermolecular bridge between macromolecules. The inclusion of novel small molecules in crystallization experiments has provided very encouraging results and this method is now emerging as a promising alternative strategy for crystallizing ‘problematic’ biological macromolecules. These small molecules have the ability to promote lattice formation through stabilizing intermolecular interactions in protein crystals. Here, the use of 1,3,6,8-pyrenetetrasulfonic acid (PTS), which provides a helpful intermolecular bridge between Leishmania mexicana PYK (LmPYK) macromolecules in the crystal, is reported, resulting in the rapid formation of a more stable crystal lattice at neutral pH and greatly improved X-ray diffraction results. The refined structure of the LmPYK–PTS complex revealed the negatively charged PTS molecule to be stacked between positively charged (surface-exposed) arginine side chains from neighbouring LmPYK molecules in the crystal lattice

Bile salt-induced cholesterol crystal formation from model bile vesicles: a time course study

NARCIS (Netherlands)

van de Heijning, B. J.; Stolk, M. F.; van Erpecum, K. J.; Renooij, W.; Groen, A. K.; vanBerge-Henegouwen, G. P.

1994-01-01

Precipitation of cholesterol crystals from vesicles is an important step in the pathogenesis of cholesterol gallstones. Little is known, however, about the kinetics and the mechanisms involved in cholesterol crystallization. Therefore, the time course of cholesterol crystal precipitation and lipid

Mucins and calcium phosphate precipitates additively stimulate cholesterol crystallization

NARCIS (Netherlands)

van den Berg, A. A.; van Buul, J. D.; Tytgat, G. N.; Groen, A. K.; Ostrow, J. D.

1998-01-01

Human biliary mucin and calcium binding protein (CBP) influence formation of both calcium salt precipitates and cholesterol crystals and colocalize in the center of cholesterol gallstones. We investigated how physiological concentrations of these proteins regulate cholesterol crystallization in

Stages of ores formation

International Nuclear Information System (INIS)

Khasanov, A.Kh.

1988-01-01

Deposit formation (especially endogenous) is the complicated, multi-stage and long process. Establishment of deposit formation succession, age-specific correlations of minerals and aggregates have a high importance at solving genetic questions. Studying of minerals correlations and mineral aggregates, succession of their crystallization and other observations let restore the history of deposit formation, pick up in it different on duration and physical and chemical conditions stages

Transmission Electron Microscopy Physics of Image Formation

CERN Document Server

Kohl, Helmut

2008-01-01

Transmission Electron Microscopy: Physics of Image Formation presents the theory of image and contrast formation, and the analytical modes in transmission electron microscopy. The principles of particle and wave optics of electrons are described. Electron-specimen interactions are discussed for evaluating the theory of scattering and phase contrast. Also discussed are the kinematical and dynamical theories of electron diffraction and their applications for crystal-structure analysis and imaging of lattices and their defects. X-ray microanalysis and electron energy-loss spectroscopy are treated as analytical methods. Specimen damage and contamination by electron irradiation limits the resolution for biological and some inorganic specimens. This fifth edition includes discussion of recent progress, especially in the area of aberration correction and energy filtering; moreover, the topics introduced in the fourth edition have been updated. Transmission Electron Microscopy: Physics of Image Formation is written f...

Evaluation of crystallization kinetics of poly (ether-ketone-ketone and poly (ether-ether-ketone by DSC

Directory of Open Access Journals (Sweden)

Gibran da Cunha Vasconcelos

2010-08-01

Full Text Available The poly (aryl ether ketones are used as matrices in advanced composites with high performance due to its high thermal stability, excellent environmental performance and superior mechanical properties. Most of the physical, mechanical and thermodynamic properties of semi-crystalline polymers depend on the degree of crystallinity and morphology of the crystalline regions. Thus, a study on the crystallization process promotes a good prediction of how the manufacturing parameters affect the developed structure, and the properties of the final product. The objective of this work was to evaluate the thermoplastics polymers PEKK e PEEK by DSC, aiming to obtain the relationship between kinetics, content, nucleation and geometry of the crystalline phases, according to the parameters of the Avrami and Kissinger models. The analysis of the Avrami exponents obtained for the studied polymers indicates that both showed the formation of crystalline phases with heterogeneous nucleation and growth geometry of the type sticks or discs, depending on the cooling conditions. It was also found that the PEEK has a higher crystallinity than PEKK.

Fracturing of subterranean formations

Energy Technology Data Exchange (ETDEWEB)

Kiel, O.M.; Kidwell, A.L.

1968-03-19

This method of propping fractured formations results in high conductivities. In the method, certain naturally occurring crystals are used as propping agents. Suitable crystals include garnet, corundum, zircon, rutile, high-temperature quartz, and other minerals which have Moh's hardness values of about 6 or greater and weather out as individual crystals of about 40 mesh or larger. These are said to result in permeabilities significantly higher than those obtained with ordinary quartz sand, metallic shot, glass beads, plastic particles, walnut hulls, or similar materials. (10 claims)

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.

Auto-oscillations of temperature and defect density in impure crystals under irradiation

International Nuclear Information System (INIS)

Selishchev, P.A.; Sugakov, V.I.

1990-01-01

Appearance of auto-oscillations in temperature and defect density of impurity crystals under irradiation is studied. It is shown that at certain critical parameters stationary distribution of temperature and defect density of the sample irradiated becomes unstable as regards the formation of temporal dissipative structures: auto-oscillations of temperature and defect density. Critical parameters are determined (the rate of defect formation, temperature of crystal environment, etc.) and the frequency of appearing auto-oscillations, its dependence on irradiation conditions and crystal properties are found

Poly-β-hydroxybutyrate Metabolism Is Unrelated to the Sporulation and Parasporal Crystal Protein Formation in Bacillus thuringiensis.

Science.gov (United States)

Wang, Xun; Li, Zhou; Li, Xin; Qian, Hongliang; Cai, Xia; Li, Xinfeng; He, Jin

2016-01-01

Poly-3-hydroxybutyrate (PHB) is a natural polymer synthesized by many bacteria as a carbon-energy storage material. It was accumulated maximally prior to the spore formation but was degraded during the process of sporulation in Bacillus thuringiensis. Intriguingly, B. thuringiensis also accumulates large amounts of insecticidal crystal proteins (ICPs) during sporulation, which requires considerable input of carbon and energy sources. How PHB accumulation affects sporulation and ICP formation remains unclear to date. Intuitively, one would imagine that accumulated PHB provides the energy required for ICP formation. Yet our current data indicate that this is not the case. First, growth curves of the deletion mutants of phaC (encoding the PHB synthase) and phaZ (encoding the PHB depolymerase) were found to be similar to the parent strain BMB171; no difference in growth rate could be observed. In addition we further constructed the cry1Ac10 ICP gene overexpression strains of BMB171 (BMB171-cry), as well as its phaC and phaZ deletion mutants ΔphaC-cry and ΔphaZ-cry to compare their spore and ICP production rates. Again, not much change of ICP production was observed among these strains either. In fact, PHB was still degraded in most ΔphaZ-cry cells as observed by transmission electron microscopy. Together these results indicated that there is no direct association between the PHB accumulation and the sporulation and ICP formation in B. thuringiensis. Some other enzymes for PHB degradation or other energy source may be responsible for the sporulation and/or ICP formation in B. thuringiensis.

Crystallization in polydisperse colloidal suspensions

International Nuclear Information System (INIS)

Martin, S.; Bryant, G.; Van Megen, W.

2004-01-01

Full text: Crystallization and glass formation in colloidal hard spheres has been a very active area of research over the last 15-20 years. For most of this time particle polydispersity has been considered to be a minor concern in these studies. However, over the last few years an increasing number of simulations, theoretical work and experiments have shown that consideration of the polydispersity is critical in understanding these phenomena. In this paper we provide an overview of recent crystallization studies on particles with two very different particle size distributions. These particles exhibit very different equilibrium crystal structures and crystallization kinetics. Based on these measurements and time lapse photographs, we propose a growth mechanism whereby crystallization occurs in conjunction with a local fractionation process near the crystal-fluid interface, which significantly alters the kinetics of crystallite nucleation and growth. This fractionation effect becomes more significant as polydispersity or skewness increases. The unusual crystal structures observed are explained using a schematic model that explains the structure in terms of stacks of planes, which are unregistered due to a high incidence of stacking faults caused by the incorporation of a large number of small particles

Bulk glass formation and crystallization in zirconium based bulk metallic glass forming alloys

International Nuclear Information System (INIS)

Savalia, R.T.; Neogy, S.; Dey, G.K.; Banerjee, S.

2002-01-01

The microstructures of Zr based metallic glasses produced in bulk form have been described in the as-cast condition and after crystallization. Various microscopic techniques have been used to characterize the microstructures. The microstructure in the as-cast condition was found to contain isolated crystals and crystalline aggregates embedded in the amorphous matrix. Quenched-in nuclei of crystalline phases were found to be present in fully amorphous regions. These glasses after crystallization gave rise to nanocrystalline solids. (author)

A novel way to grow hemozoin-like crystals in vitro and its use to screen for hemozoin inhibiting antimalarial compounds.

Directory of Open Access Journals (Sweden)

Vincent Thomas

Full Text Available BACKGROUND: Hemozoin crystals are normally formed in vivo by Plasmodium parasites to detoxify free heme released after hemoglobin digestion during its intraerythrocytic stage. Inhibition of hemozoin formation by various drugs results in free heme concentration toxic for the parasites. As a consequence, in vitro assays have been developed to screen and select candidate antimalarial drugs based on their capacity to inhibit hemozoin formation. In this report we describe new ways to form hemozoin-like crystals that were incidentally discovered during research in the field of prion inactivation. METHODS: We investigated the use of a new assay based on naturally occurring "self-replicating" particles and previously described as presenting resistance to decontamination comparable to prions. The nature of these particles was determined using electron microscopy, Maldi-Tof analysis and X-ray diffraction. They were compared to synthetic hemozoin and to hemozoin obtained from Plasmodium falciparum. We then used the assay to evaluate the capacity of various antimalarial and anti-prion compounds to inhibit "self-replication" (crystallisation of these particles. RESULTS: We identified these particles as being similar to ferriprotoporphyrin IX crystal and confirmed the ability of these particles to serve as nuclei for growth of new hemozoin-like crystals (HLC. HLC are morphologically similar to natural and synthetic hemozoin. Growth of HLC in a simple assay format confirmed inhibition by quinolines antimalarials at potencies described in the literature. Interestingly, artemisinins and tetracyclines also seemed to inhibit HLC growth. CONCLUSIONS: The described HLC assay is simple and easy to perform and may have the potential to be used as an additional tool to screen antimalarial drugs for their hemozoin inhibiting activity. As already described by others, drugs that inhibit hemozoin crystal formation have also the potential to inhibit misfolded proteins

Synthesis, crystal growth, optical, thermal, and mechanical properties of a nonlinear optical single crystal: ammonium sulfate hydrogen sulphamate (ASHS)

Science.gov (United States)

Sudhakar, K.; Nandhini, S.; Muniyappan, S.; Arumanayagam, T.; Vivek, P.; Murugakoothan, P.

2018-04-01

Ammonium sulfate hydrogen sulphamate (ASHS), an inorganic nonlinear optical crystal, was grown from the aqueous solution by slow evaporation solution growth technique. The single-crystal XRD confirms that the grown single crystal belongs to the orthorhombic system with the space group of Pna21. Powder XRD confirms the crystalline nature and the diffraction planes were indexed. Crystalline perfection of grown crystal was analysed by high-resolution X-ray diffraction rocking curve technique. UV-Vis-NIR studies revealed that ASHS crystal has optical transparency 65% and lower cut-off wavelength at 218 nm. The violet light emission of the crystal was identified by photoluminescence studies. The particle size-dependent second-harmonic generation efficiency for ASHS crystal was evaluated by Kurtz-Perry powder technique using Nd:YAG laser which established the existence of phase matching. Surface laser damage threshold value was evaluated using Nd:YAG laser. Optical homogeneity of the crystal was evaluated using modified channel spectrum method through birefringence study. Thermal analysis reveals that ASHS crystal is stable up to 213 °C. The mechanical behaviour of the ASHS crystal was analysed using Vickers microhardness study.

Formation evaluation using measurements recorded while drilling

International Nuclear Information System (INIS)

Coope, D.F.; Hendricks, W.E.

1984-01-01

Two of the measurements recorded while drilling (MWD), gamma ray and resistivity, are traditionally formation evaluation measurements. However, their primary user thus far has been the drilling engineer. The authors believe that MWD will have increasing importance in formation evaluation, and that a good understanding of MWD resistivity and gamma ray logs will be needed by the log analyst. MWD gamma ray and resistivity logs are similar to their wireline counterparts, but there are significant differences. The differences stem from different invasion (or lack of invasion) development for MWD as opposed to open hole wireline; drill collar influence on both the resistivity and gamma ray (GR) measurements - this influence is both positive and negative; and logging speed (drilling rate for MWD) is much slower for MWD and can vary erratically. The MWD logs presented in this paper demonstrate the value of using MWD logs. Emphasis is placed on both the qualitative and quantitative techniques available to the log analyst to help him get maximum benefit from the MWD logs

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.

Effect of amino acids and amino acid derivatives on crystallization of hemoglobin and ribonuclease A

International Nuclear Information System (INIS)

Ito, Len; Kobayashi, Toyoaki; Shiraki, Kentaro; Yamaguchi, Hiroshi

2008-01-01

The effect of the addition of amino acids and amino acid derivatives on the crystallization of hemoglobin and ribonuclease A has been evaluated. The results showed that certain types of additives expand the concentration conditions in which crystals are formed. Determination of the appropriate conditions for protein crystallization remains a highly empirical process. Preventing protein aggregation is necessary for the formation of single crystals under aggregation-prone solution conditions. Because many amino acids and amino acid derivatives offer a unique combination of solubility and stabilizing properties, they open new avenues into the field of protein aggregation research. The use of amino acids and amino acid derivatives can potentially influence processes such as heat treatment and refolding reactions. The effect of the addition of several amino acids, such as lysine, and several amino acid derivatives, such as glycine ethyl ester and glycine amide, on the crystallization of equine hemoglobin and bovine pancreatic ribonuclease A has been examined. The addition of these amino acids and amino acid derivatives expanded the range of precipitant concentration in which crystals formed without aggregation. The addition of such additives appears to promote the crystallization of proteins

Effect of amino acids and amino acid derivatives on crystallization of hemoglobin and ribonuclease A

Energy Technology Data Exchange (ETDEWEB)

Ito, Len, E-mail: len@ksc.kwansei.ac.jp; Kobayashi, Toyoaki [School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen, Sanda, Hyogo 669-1337 (Japan); Shiraki, Kentaro [Institute of Applied Physics, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8573 (Japan); Yamaguchi, Hiroshi [School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen, Sanda, Hyogo 669-1337 (Japan)

2008-05-01

The effect of the addition of amino acids and amino acid derivatives on the crystallization of hemoglobin and ribonuclease A has been evaluated. The results showed that certain types of additives expand the concentration conditions in which crystals are formed. Determination of the appropriate conditions for protein crystallization remains a highly empirical process. Preventing protein aggregation is necessary for the formation of single crystals under aggregation-prone solution conditions. Because many amino acids and amino acid derivatives offer a unique combination of solubility and stabilizing properties, they open new avenues into the field of protein aggregation research. The use of amino acids and amino acid derivatives can potentially influence processes such as heat treatment and refolding reactions. The effect of the addition of several amino acids, such as lysine, and several amino acid derivatives, such as glycine ethyl ester and glycine amide, on the crystallization of equine hemoglobin and bovine pancreatic ribonuclease A has been examined. The addition of these amino acids and amino acid derivatives expanded the range of precipitant concentration in which crystals formed without aggregation. The addition of such additives appears to promote the crystallization of proteins.

Crystal plasticity study of single crystal tungsten by indentation tests

International Nuclear Information System (INIS)

Yao, Weizhi

2012-01-01

Owing to its favorable material properties, tungsten (W) has been studied as a plasma-facing material in fusion reactors. Experiments on W heating in plasma sources and electron beam facilities have shown an intense micro-crack formation at the heated surface and sub-surface. The cracks go deep inside the irradiated sample, and often large distorted areas caused by local plastic deformation are present around the cracks. To interpret the crack-induced microscopic damage evolution process in W, one needs firstly to understand its plasticity on a single grain level, which is referred to as crystal plasticity. In this thesis, the crystal plasticity of single crystal tungsten (SCW) has been studied by spherical and Berkovich indentation tests and the finite element method with a crystal plasticity model. Appropriate values of the material parameters included in the crystal plasticity model are determined by fitting measured load-displacement curves and pile-up profiles with simulated counterparts for spherical indentation. The numerical simulations reveal excellent agreement with experiment. While the load-displacement curves and the deduced indentation hardness exhibit little sensitivity to the indented plane at small indentation depths, the orientation of slip directions within the crystals governs the development of deformation hillocks at the surface. It is found that several factors like friction, indentation depth, active slip systems, misoriented crystal orientation, misoriented sample surface and azimuthal orientation of the indenter can affect the indentation behavior of SCW. The Berkovich indentation test was also used to study the crystal plasticity of SCW after deuterium irradiation. The critical load (pop-in load) for triggering plastic deformation under the indenter is found to depend on the crystallographic orientation. The pop-in loads decrease dramatically after deuterium plasma irradiation for all three investigated crystallographic planes.

Nondestructive evaluation of crystallized-particle size in lactose-powder by terahertz time-domain spectroscopy

Science.gov (United States)

Yamauchi, Satoshi; Hatakeyama, Sakura; Imai, Yoh; Tonouchi, Masayoshi

2014-03-01

Transmission-type terahertz time-domain spectroscopy is applied to evaluate crystallized lactose particle of size below 30 μm, which is far too small compared to the wavelength of incident terahertz (THz)-wave. The THz-absorption spectrum of lactose is successfully deconvoluted by Lorentzian to two spectra with peaks at 17.1 cm-1 (0.53 THz) and 45.6 cm-1 (1.37 THz) derived from α-lactose monohydrate, and a spectrum at 39.7 cm-1 (1.19 THz) from anhydrous β-lactose after removal of the broad-band spectrum by polynomial cubic function. Lactose is mainly crystallized into α-lactose monohydrate from the supersaturated solution at room temperature with a small amount of anhydrous β-lactose below 4%. The absorption feature is dependent on the crystallized particle size and the integrated intensity ratio of the two absorptions due to α-lactose monohydrate is correlated in linear for the size.

Crystallization and evaluation of hen egg-white lysozyme crystals for protein pH titration in the crystalline state

International Nuclear Information System (INIS)

Iwai, Wakari; Yagi, Daichi; Ishikawa, Takuya; Ohnishi, Yuki; Tanaka, Ichiro; Niimura, Nobuo

2008-01-01

Hen egg-white lysozyme was crystallized over a wide pH range (2.5–8.0) and the quality of the crystals was characterized. Crystallization phase diagrams at pH 2.5, 6.0 and 7.5 were determined To observe the ionized status of the amino acid residues in proteins at different pH (protein pH titration in the crystalline state) by neutron diffraction, hen egg-white lysozyme was crystallized over a wide pH range (2.5–8.0). Crystallization phase diagrams at pH 2.5, 6.0 and 7.5 were determined. At pH < 4.5 the border between the metastable region and the nucleation region shifted to the left (lower precipitant concentration) in the phase diagram, and at pH > 4.5 the border shifted to the right (higher precipitant concentration). The qualities of these crystals were characterized using the Wilson plot method. The qualities of all crystals at different pH were more or less equivalent (B-factor values within 25–40). It is expected that neutron diffraction analysis of these crystals of different pH provides equivalent data in quality for discussions of protein pH titration in the crystalline state of hen egg-white lysozyme

Nonreciprocity of edge modes in 1D magnonic crystal

International Nuclear Information System (INIS)

Lisenkov, I.; Kalyabin, D.; Osokin, S.; Klos, J.W.; Krawczyk, M.; Nikitov, S.

2015-01-01

Spin waves propagation in 1D magnonic crystals is investigated theoretically. Mathematical model based on plane wave expansion method is applied to different types of magnonic crystals, namely bi-component magnonic crystal with symmetric/asymmetric boundaries and ferromagnetic film with periodically corrugated top surface. It is shown that edge modes in magnonic crystals may exhibit nonreciprocal behaviour at much lower frequencies than in homogeneous films. - Highlights: • Magnetostatic surface spin waves in 1D magnonic crystals were studied theoretically. • Mathematical model is based on plane wave method. • Mathematical model was applied to different types of magnonic crystals. • Stop band formation and nonreciprocity were obtained

Method for solid state crystal growth

Science.gov (United States)

Nolas, George S.; Beekman, Matthew K.

2013-04-09

A novel method for high quality crystal growth of intermetallic clathrates is presented. The synthesis of high quality pure phase crystals has been complicated by the simultaneous formation of both clathrate type-I and clathrate type-II structures. It was found that selective, phase pure, single-crystal growth of type-I and type-II clathrates can be achieved by maintaining sufficient partial pressure of a chemical constituent during slow, controlled deprivation of the chemical constituent from the primary reactant. The chemical constituent is slowly removed from the primary reactant by the reaction of the chemical constituent vapor with a secondary reactant, spatially separated from the primary reactant, in a closed volume under uniaxial pressure and heat to form the single phase pure crystals.

Dissolution enhancement of Deflazacort using hollow crystals prepared by antisolvent crystallization process.

Science.gov (United States)

Paulino, A S; Rauber, G; Campos, C E M; Maurício, M H P; de Avillez, R R; Capobianco, G; Cardoso, S G; Cuffini, S L

2013-05-13

Deflazacort (DFZ), a derivate of prednisolone, is a poorly soluble drug which has been proposed to have major advantages over other corticosteroids. Poorly soluble drugs present limited bioavailability due to their low solubility and dissolution rate and several strategies have been developed in order to find ways to improve them. In general, pharmaceutical laboratories use a micronized process to reduce the particle size in order to increase the dissolution of the drugs. However, this process causes changes such as polymorphic transitions, particle agglomeration and a reduction in fluidity and wettability. These solid-state properties affect the dissolution behavior and stability performance of drugs. Crystallization techniques are widely used in the pharmaceutical industry and antisolvent crystallization has been used to obtain ultrafine particles. In this study, DFZ was investigated in terms of its antisolvent crystallization in different solvents and under various preparation conditions (methanol/water ratio, stirring and evaporation rate, etc.), in order to compare the physicochemical properties between crystallized samples and raw materials available on the Brazilian market with and without micronization. Crystalline structure, morphology, and particle size, and their correlation with the Intrinsic Dissolution Rate (IDR) and dissolution profile as relevant biopharmaceutical properties were studied. Crystallization conditions were achieved which provided crystalline samples of hollow-shaped crystals with internal channels, which increased the dissolution rate of DFZ. The antisolvent crystallization process allowed the formation of hollow crystals, which demonstrated a better dissolution profile than the raw material (crystalline and micronized), making this a promising technique as a crystallization strategy for improving the dissolution and thus the bioavailability of poorly soluble drugs. Copyright © 2013 Elsevier B.V. All rights reserved.

Formation of classical crystals of dipolar particles in a helical geometry

International Nuclear Information System (INIS)

Pedersen, J K; Fedorov, D V; Jensen, A S; Zinner, N T

2014-01-01

We consider crystal formation of particles with dipole–dipole interactions that are confined to move in a one-dimensional helical geometry with their dipole moments oriented along the symmetry axis of the confining helix. The stable classical lowest-energy configurations are found to be chain structures for a large range of pitch-to-radius ratios for a relatively low density of dipoles and a moderate total number of particles. The classical normal mode spectra support the chain interpretation through both structure and distinct degeneracies, depending discretely on the number of dipoles per revolution. A larger total number of dipoles leads to a clusterization where the dipolar chains move closer to each other. This implies a change in the local density and the emergence of two length scales, one for the cluster size and one for the inter-cluster distance along the helix. Starting from three dipoles per revolution, this implies a breaking of the initial periodicity to form a cluster of two chains close together and a third chain removed from the cluster. This is driven by the competition between in-chain and out-of-chain interactions, or alternatively by the side-by-side repulsion and the head-to-tail attraction in the system. The speed of sound propagates along the chains. It is independent of the number of chains, although it does depend on the geometry. (paper)

Quantum criticality and the formation of a putative electronic liquid crystal in Sr3Ru2O7

International Nuclear Information System (INIS)

Mackenzie, A.P.; Bruin, J.A.N.; Borzi, R.A.; Rost, A.W.; Grigera, S.A.

2012-01-01

We present a brief review of the physical properties of Sr 3 Ru 2 O 7 , in which the approach to a magnetic-field-tuned quantum critical point is cut off by the formation of a novel phase with transport characteristics consistent with those of a nematic electronic liquid crystal. Our goal is to summarise the physics that led to that conclusion being drawn, describing the key experiments and discussing the theoretical approaches that have been adopted. Throughout the review we also attempt to highlight observations that are not yet understood, and to discuss the future challenges that will need to be addressed by both experiment and theory.

Synthesis, growth, crystal structure, optical and third order nonlinear optical properties of quinolinium derivative single crystal: PNQI

Science.gov (United States)

Karthigha, S.; Krishnamoorthi, C.

2018-03-01

An organic quinolinium derivative nonlinear optical (NLO) crystal, 1-ethyl-2-[2-(4-nitro-phenyl)-vinyl]-quinolinium iodide (PNQI) was synthesized and successfully grown by slow evaporation solution growth technique. Formation of a crystalline compound was confirmed by single crystal X-ray diffraction. The quinolinium compound PNQI crystallizes in the triclinic crystal system with a centrosymmetric space group of P-1 symmetry. The molecular structure of PNQI was confirmed by 1H NMR and 13C NMR spectral studies. The thermal properties of the crystal have been investigated by thermogravimetric (TG) and differential scanning calorimetry (DSC) studies. The optical characteristics obtained from UV-Vis-NIR spectral data were described and the cut-off wavelength observed at 506 nm. The etching study was performed to analyse the growth features of PNQI single crystal. The third order NLO properties such as nonlinear refractive index (n2), nonlinear absorption coefficient (β) and nonlinear susceptibility (χ (3)) of the crystal were investigated using Z-scan technique at 632.8 nm of Hesbnd Ne laser.

Folding two dimensional crystals by swift heavy ion irradiation

International Nuclear Information System (INIS)

Ochedowski, Oliver; Bukowska, Hanna; Freire Soler, Victor M.; Brökers, Lara; Ban-d'Etat, Brigitte; Lebius, Henning; Schleberger, Marika

2014-01-01

Ion irradiation of graphene, the showcase model of two dimensional crystals, has been successfully applied to induce various modifications in the graphene crystal. One of these modifications is the formation of origami like foldings in graphene which are created by swift heavy ion irradiation under glancing incidence angle. These foldings can be applied to locally alter the physical properties of graphene like mechanical strength or chemical reactivity. In this work we show that the formation of foldings in two dimensional crystals is not restricted to graphene but can be applied for other materials like MoS 2 and hexagonal BN as well. Further we show that chemical vapour deposited graphene forms foldings after swift heavy ion irradiation while chemical vapour deposited MoS 2 does not

Role of local assembly in the hierarchical crystallization of associating colloidal hard hemispheres

Science.gov (United States)

Lei, Qun-li; Hadinoto, Kunn; Ni, Ran

2017-10-01

Hierarchical self-assembly consisting of local associations of simple building blocks for the formation of complex structures widely exists in nature, while the essential role of local assembly remains unknown. In this work, by using computer simulations, we study a simple model system consisting of associating colloidal hemispheres crystallizing into face-centered-cubic crystals comprised of spherical dimers of hemispheres, focusing on the effect of dimer formation on the hierarchical crystallization. We found that besides assisting the crystal nucleation because of increasing the symmetry of building blocks, the association between hemispheres can also induce both reentrant melting and reentrant crystallization depending on the range of interaction. Especially when the interaction is highly sticky, we observe a novel reentrant crystallization of identical crystals, which melt only in a certain temperature range. This offers another axis in fabricating responsive crystalline materials by tuning the fluctuation of local association.

Comparative evaluation of clays from Abakaliki Formation with ...

African Journals Online (AJOL)

The characteristics of clays from Abakaliki Formation, Southeastern Nigeria was evaluated to establish its suitability as drilling mud when compared with commercial bentonite such as Wyoming bentonite. The chemical, mineralogical and geotechnical properties were employed in assessing the suitability of Abakaliki clay as ...

Nonreciprocity of spin waves in metallized magnonic crystal

International Nuclear Information System (INIS)

Mruczkiewicz, M; Krawczyk, M; Gubbiotti, G; Tacchi, S; Filimonov, Yu A; Kalyabin, D V; Lisenkov, I V; Nikitov, S A

2013-01-01

The nonreciprocal properties of spin waves in metallized one-dimensional bi-component magnonic crystal composed of two materials with different magnetizations are investigated numerically. Nonreciprocity leads to the appearance of indirect magnonic band gaps for magnonic crystals with both low and high magnetization contrast. Specific features of the nonreciprocity in low contrast magnonic crystals lead to the appearance of several magnonic band gaps located within the first Brillouin zone for waves propagating along the metallized surface. Analysis of the spatial distribution of dynamic magnetization amplitudes explains the mechanism of dispersion band formation and hybridization between magnonic bands in magnonic crystals with metallization. (paper)

Dendritic growth forms of borax crystals

International Nuclear Information System (INIS)

Takoo, R.K.; Patel, B.R.; Joshi, M.S.

1983-01-01

A variety of dendritic forms of borax grown from solutions by the film formation method is given. The changing growth morphology is followed as a function of concentration and temperature. The initial, intermediate and final growth morphologies are described and discussed. Influence of evaporation rate and supersaturation on the mechanism of growth is assessed. It is suggested that under all crystallization conditions, borax crystals have dendritic form in the initial stages of growth. (author)

Zircon growth in a granitic pluton with specific mechanisms, crystallization temperatures and U-Pb ages. Implication to the 'spatiotemporal' formation process of the Toki granite, central Japan

International Nuclear Information System (INIS)

Yuguchi, Takashi; Ishibashi, Masayuki; Sasao, Eiji; Iwano, Hideki; Danhara, Tohru; Kato, Takenori; Sakata, Shuhei; Hattori, Kentaro; Hirata, Takafumi; Sueoka, Shigeru; Nishiyama, Tadao

2016-01-01

Zircons collected from a granitic pluton provide evidence of serial growth events with specific mechanisms, crystallization temperatures and U-Pb ages, revealing details of the sequential formation process from intrusion through emplacement to crystallization/solidification. The events have been identified by: 1) the study of the internal structure of zircon using cathodoluminescence, 2) deriving crystallization temperatures using Ti-in-zircon thermometry of the internal structure and 3) U-Pb age dating of the internal structure. The magmatic zircons from the Toki granite, central Japan, show two kinds in their internal structure: a low luminescence core (LLC) and oscillatory zonation (OZ). The LLC was produced by interfacial reaction-controlled growth in the granitic magma with cooling from about 910 to 760°C. The formation of OZ occurred by diffusion-controlled growth in a cooling magma chamber from about 850 to 690°C. The U-Pb ages derived from the LLC ranges from 74.7 ± 4.2 to 70.5 ± 1.3 Ma, indicating the incipient intrusion timing of the magma into the shallow crust. The OZ ages distribute from 72.7 ± 0.6 to 70.4 ± 1.7 Ma, which mean the timing from emplacement to crystallization/solidification of the granite pluton. Thus, the serial processes from intrusion through emplacement to crystallization/solidification occurred within a few million years. The old LLC and OZ ages are recognized in the western margins of the Toki granite, implying that the magma forming the western margins was the first to intrude, emplace and crystallize/solidify. The western margins with initial intrusion may accompany the crustal assimilation in order to create sufficient magma reservoir space, which is consistent with larger SrI and ASI values found in the western margins of the granite. (author)

Synthesis of SAPO-56 with controlled crystal size

Energy Technology Data Exchange (ETDEWEB)

Wu, Ting; Feng, Xuhui [Colorado School of Mines, Chemical and Biological Engineering Department (United States); Carreon, Maria L. [University of Tulsa, Rusell School of Chemical Engineering (United States); Carreon, Moises A., E-mail: mcarreon@mines.edu [Colorado School of Mines, Chemical and Biological Engineering Department (United States)

2017-03-15

Herein, we present the hydrothermal synthesis of SAPO-56 crystals with relatively controlled crystal/particle size. The effects of water content, aluminum source, gel composition, stirring, crystallization temperature and time, as well as the incorporation of crystal growth inhibitors during synthesis were systematically investigated. The synthesized SAPO-56 crystals displayed BET surface areas as high as ∼630 m{sup 2} g{sup −1} with relative narrow size distribution in the ∼5–60 μm range. Nitrogen BET surface areas in the 451 to 631 m{sup 2} g{sup −1} range were observed. Decreasing the crystallization temperature from 220 to 210 °C helped to decrease the average SAPO-56 crystal size. Diluted gel compositions promoted the formation of smaller crystals. Crystal growth inhibitors were found to be helpful in reducing crystal size and narrow the size distribution. Specifically, ∼5 μm SAPO-56 crystals displaying narrow size distribution were synthesized employing aluminum-tri-sec-butoxide as Al source, high water content, and high stirring rates.

Synthesis of SAPO-56 with controlled crystal size

International Nuclear Information System (INIS)

Wu, Ting; Feng, Xuhui; Carreon, Maria L.; Carreon, Moises A.

2017-01-01

Herein, we present the hydrothermal synthesis of SAPO-56 crystals with relatively controlled crystal/particle size. The effects of water content, aluminum source, gel composition, stirring, crystallization temperature and time, as well as the incorporation of crystal growth inhibitors during synthesis were systematically investigated. The synthesized SAPO-56 crystals displayed BET surface areas as high as ∼630 m"2 g"−"1 with relative narrow size distribution in the ∼5–60 μm range. Nitrogen BET surface areas in the 451 to 631 m"2 g"−"1 range were observed. Decreasing the crystallization temperature from 220 to 210 °C helped to decrease the average SAPO-56 crystal size. Diluted gel compositions promoted the formation of smaller crystals. Crystal growth inhibitors were found to be helpful in reducing crystal size and narrow the size distribution. Specifically, ∼5 μm SAPO-56 crystals displaying narrow size distribution were synthesized employing aluminum-tri-sec-butoxide as Al source, high water content, and high stirring rates.

Bioactive coatings on Portland cement substrates: Surface precipitation of apatite-like crystals

International Nuclear Information System (INIS)

Gallego, Daniel; Higuita, Natalia; Garcia, Felipe; Ferrell, Nicholas; Hansford, Derek J.

2008-01-01

We report a method for depositing bioactive coatings onto cement materials for bone tissue engineering applications. White Portland cement substrates were hydrated under a 20% CO 2 atmosphere, allowing the formation of CaCO 3 . The substrates were incubated in a calcium phosphate solution for 1, 3, and 6 days (CPI, CPII, and CPIII respectively) at 37 deg. C to induce the formation of carbonated apatite. Cement controls were prepared and hydrated with and without CO 2 atmosphere (C+ and C- respectively). The presence of apatite-like crystals was verified by Scanning Electron Microscopy (SEM) and Energy Dispersive Spectroscopy (EDS). The substrate cytocompatibility was evaluated via SEM after 24 hour cell cultures. SEM revealed the presence Ca(OH) 2 on C-, and CaCO 3 on C+. Apatite-like crystals were detected only on CPIII, confirmed by phosphorus EDS peaks only for CPIII. Cells attached and proliferated similarly well on all the substrates except C-. These results prove the feasibility of obtaining biocompatible and bioactive coatings on Portland cement for bone tissue engineering applications

Dual roles of borax in kinetics of calcium sulfate dihydrate formation.

Science.gov (United States)

Jiang, Wenge; Pan, Haihua; Tao, Jinhui; Xu, Xurong; Tang, Ruikang

2007-04-24

An additive is not exclusively retardant or promoter for a crystallization system. The kinetic studies of calcium sulfate dihydrate (CSD) crystal growth demonstrated that borax played dual roles in the reaction, which accelerated CSD formations at the low concentration levels but inhibited the crystal growth at the high ones. In situ atomic force microscopy studies revealed that borax modulated the CSD crystallization via two different pathways: promoted the secondary nucleation to increase the step density on the growing crystal faces but simultaneously retarded the spread of these growth steps by the Langmuir adsorption. These two contradictory factors were incorporated in the crystallization, and their balance was regulated by the borax concentration. Both the macroscopic and microscopic experimental data nicely displayed the crystallization model of birth and spread that was able to account for the behaviors of borax in CSD formations.

Co-crystallization: An approach to improve the performance characteristics of active pharmaceutical ingredients

OpenAIRE

Jignasa Ketan Savjani

2015-01-01

Co-crystal chemistry has recently attracted supramolecular scientists. Co-crystals are comprising of hydrogen boding assembly between different molecules. Many issues related to performance characteristics of an active pharmaceutical ingredient (API) can be resolved using co-crystallization approach. Proper understanding of crystal structure of an API is required for successful formation of co-crystals with the selected co-former. This review article focus on explanation about co-crystals, in...

Vacancies in quantal Wigner crystals near melting

International Nuclear Information System (INIS)

Barraza, N.; Colletti, L.; Tosi, M.P.

1999-04-01

We estimate the formation energy of lattice vacancies in quantal Wigner crystals of charged particles near their melting point at zero temperature, in terms of the crystalline Lindemann parameter and of the static dielectric function of the fluid phase near freezing. For both 3D and 2D crystals of electrons our results suggest the presence of vacancies in the ground state at the melting density. (author)

Melt growth of zinc aluminate spinel single crystal by the micro-pulling down method under atmospheric pressure

Science.gov (United States)

Kamada, K.; Shoji, Y.; Yamaji, A.; Kurosawa, S.; Yokota, Yuui; Ohashi, Y.; Kim, Kyoung Jin; Ivanov, M.; Kochurikhin, V. V.; Yoshikawa, A.

2018-06-01

ZnAl2O4 crystals were grown using few starting compositions with various ZnO:AlO3/2 ratio using an Ir wire seed and Ir + Re crucible under ordinary pressure with Ar + 2%O2 atmosphere by the radiofrequency heating μ-PD furnace. The ZnAl2O4 spinel single crystal with 4 mm diameter could be successfully grown by the μ-PD method by optimization of starting melt composition considering with Zinc oxide evaporation. During 10 min of growth under normal pressure the formation of ZnAl2O4 single phase observed even at high vapor pressure of ZnO. The transmittance spectra and X-ray locking curve were measured for evaluating of grown ZnAl2O4 crystals quality.

Effect of γ-(Fe,Ni) crystal-size stabilization in Fe-Ni-B amorphous ribbon

Science.gov (United States)

Gorshenkov, M. V.; Glezer, A. M.; Korchuganova, O. A.; Aleev, A. A.; Shurygina, N. A.

2017-02-01

The effect of stabilizing crystal size in a melt-quenched amorphous Fe50Ni33B17 ribbon is described upon crystallization in a temperature range of 360-400°C. The shape, size, volume fraction, and volume density have been investigated by transmission electron microscopy and X-ray diffraction methods. The formation of an amorphous layer of the Fe50Ni29B21 compound was found by means of atomic-probe tomography at the boundary of the crystallite-amorphous phase. The stabilization of crystal sizes during annealing is due to the formation of a barrier amorphous layer that has a crystallization temperature that exceeds the crystallization temperature of the matrix amorphous alloy.

Magma oceanography. II - Chemical evolution and crustal formation. [lunar crustal rock fractional crystallization model

Science.gov (United States)

Longhi, J.

1977-01-01

A description is presented of an empirical model of fractional crystallization which predicts that slightly modified versions of certain of the proposed whole moon compositions can reproduce the major-element chemistry and mineralogy of most of the primitive highland rocks through equilibrium and fractional crystallization processes combined with accumulation of crystals and trapping of residual liquids. These compositions contain sufficient Al to form a plagioclase-rich crust 60 km thick on top of a magma ocean that was initially no deeper than about 300 km. Implicit in the model are the assumptions that all cooling and crystallization take place at low pressure and that there are no compositional or thermal gradients in the liquid. Discussions of the cooling and crystallization of the proposed magma ocean show these assumptions to be disturbingly naive when applied to the ocean as a whole. However, the model need not be applied to the whole ocean, but only to layers of cooling liquid near the surface.

Time lapse microscopy of temperature control during self-assembly of 3D DNA crystals

Science.gov (United States)

Conn, Fiona W.; Jong, Michael Alexander; Tan, Andre; Tseng, Robert; Park, Eunice; Ohayon, Yoel P.; Sha, Ruojie; Mao, Chengde; Seeman, Nadrian C.

2017-10-01

DNA nanostructures are created by exploiting the high fidelity base-pairing interactions of double-stranded branched DNA molecules. These structures present a convenient medium for the self-assembly of macroscopic 3D crystals. In some self-assemblies in this system, crystals can be formed by lowering the temperature, and they can be dissolved by raising it. The ability to monitor the formation and melting of these crystals yields information that can be used to monitor crystal formation and growth. Here, we describe the development of an inexpensive tool that enables direct observation of the crystal growth process as a function of both time and temperature. Using the hanging-drop crystallization of the well-characterized 2-turn DNA tensegrity triangle motif for our model system, its response to temperature has been characterized visually.

Molecular Weight and Crystallization Temperature Effects on Poly(ethylene terephthalate (PET Homopolymers, an Isothermal Crystallization Analysis

Directory of Open Access Journals (Sweden)

Leonardo A. Baldenegro-Perez

2014-02-01

Full Text Available The isothermal crystallization of poly(ethylene terephthalate (PET homopolymers with different molecular weight was studied in a wide temperature range (140–230 °C using different experimental techniques. Three different morphological regions, labeled r1, r2 and r3, were distinguished as a function of crystallization temperature (Tc. In r1 (low Tc crystallized samples were characterized by a low crystalline degree with a small spherulite texture containing thin crystals. In r2 (intermediate Tc samples showed medium size spherulites composed of two distinct crystalline families (thin and thick crystals. In this temperature range, the crystallization exhibited a maximum value and it was associated with a high content of secondary crystals. In r3 (high Tc, samples presented considerable amorphous zones and regions consisting of oversized spherulites containing only thick crystals. Time-resolved wide-angle X-ray diffraction measurements, using synchrotron radiation, indicated a rapid evolution of the crystalline degree within the second region, in contrast with the quite slow evolution observed in the third region. On the other hand, by small-angle X-ray scattering (SAXS and time-resolved SAXS experiment, it was found that the long period (L as well as the lamellar thickness (lc increase as a function of Tc, corroborating the formation of the thickest crystals in the third region. From all these observations, a morphological model was proposed for each region.

Crystal formation involving 1-methylbenzimidazole in iodide/triiodide electrolytes for dye-sensitized solar cells

Energy Technology Data Exchange (ETDEWEB)

Fischer, Andreas; Hagfeldt, Anders; Boschloo, Gerrit; Kloo, Lars; Gorlov, Mikhail [Center of Molecular Devices, Department of Chemistry, Royal Institute of Technology (KTH), S-100 44 Stockholm (Sweden); Pettersson, Henrik [IVF Industrial Research and Development Corporation, S-431 53 Moelndal (Sweden)

2007-07-23

Nitrogen heterocyclic compounds, such as N-methylbenzimidazole (MBI), are commonly used as additives to electrolytes for dye-sensitized solar cells (DSCs), but the chemical transformation of additives in electrolyte solutions remains poorly understood. Solid crystalline compound (MBI){sub 6}(MBI-H{sup +}){sub 2}(I{sup -})(I{sub 3}{sup -}) (1) was isolated from different electrolytes for DSCs containing MBI as additive. The crystal structure of 1 was determined by single-crystal X-ray diffraction. In the crystal structure, 1 contains neutral and protonated MBI fragments; iodide and triiodide anions form infinite chains along the crystallographic a-axis. The role of the solvent and additives in the crystallization process in electrolytes is discussed. (author)

Evaluation of the physical stability and local crystallization of amorphous terfenadine using XRD-DSC and micro-TA

International Nuclear Information System (INIS)

Yonemochi, Etsuo; Hoshino, Takafumi; Yoshihashi, Yasuo; Terada, Katsuhide

2005-01-01

It is very difficult to follow rapid changes in polymorphic transformation and crystallization and to estimate the species recrystallized from the amorphous form. The aim of this study was to clarify the structural changes of amorphous terfenadine and to evaluate the polymorphs crystallized from amorphous samples using XRD-DSC and an atomic force microscope with a thermal probe (micro-TA). Amorphous samples were prepared by grinding or rapid cooling of the melt. The rapid structural transitions of samples were followed by the XRD-DSC system. On the DSC trace of the quenched terfenadine, two exotherms were observed, while only one exothermic peak was observed in the DSC scan of a ground sample. From the in situ data obtained by the XRD-DSC system, the stable form of terfenadine was recrystallized during heating of the ground amorphous sample, whereas the metastable form was recrystallized from the quenched amorphous sample and the crystallized polymorph changed to the stable form. Obtained data suggested that recrystallized species could be related to the homogeneity of samples. When the stored sample surface was scanned by atomic force microscopy (AFM), heterogeneous crystallization was observed. By using micro-TA, melting temperatures at various points were measured, and polymorph forms I and II were crystallized in each region. The percentages of the crystallized form I stored at 120 and 135 deg C were 47 and 79%, respectively. This result suggested that increasing the storage temperature increased the crystallization of form I, the stable form, confirming the temperature dependency of the crystallized form. The crystallization behavior of amorphous drug was affected by the annealing temperature. Micro-TA would be useful for detecting the inhomogeneities in polymorphs crystallized from amorphous drug

Folding two dimensional crystals by swift heavy ion irradiation

Energy Technology Data Exchange (ETDEWEB)

Ochedowski, Oliver; Bukowska, Hanna [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany); Freire Soler, Victor M. [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany); Departament de Fisica Aplicada i Optica, Universitat de Barcelona, E08028 Barcelona (Spain); Brökers, Lara [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany); Ban-d' Etat, Brigitte; Lebius, Henning [CIMAP (CEA-CNRS-ENSICAEN-UCBN), 14070 Caen Cedex 5 (France); Schleberger, Marika, E-mail: marika.schleberger@uni-due.de [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany)

2014-12-01

Ion irradiation of graphene, the showcase model of two dimensional crystals, has been successfully applied to induce various modifications in the graphene crystal. One of these modifications is the formation of origami like foldings in graphene which are created by swift heavy ion irradiation under glancing incidence angle. These foldings can be applied to locally alter the physical properties of graphene like mechanical strength or chemical reactivity. In this work we show that the formation of foldings in two dimensional crystals is not restricted to graphene but can be applied for other materials like MoS{sub 2} and hexagonal BN as well. Further we show that chemical vapour deposited graphene forms foldings after swift heavy ion irradiation while chemical vapour deposited MoS{sub 2} does not.

Four crystal forms of a Bence-Jones protein

International Nuclear Information System (INIS)

Makino, Debora L.; Henschen-Edman, Agnes H.; McPherson, Alexander

2004-01-01

Four crystal forms have been grown and characterized by X-ray diffraction of a Bence-Jones protein collected from the urine of a multiple myeloma patient more than 40 y ago. The trigonal crystal form may shed some light on the formation of fibrils common to certain storage diseases. Four crystal forms have been grown and characterized by X-ray diffraction of a Bence-Jones protein collected from the urine of a multiple myeloma patient more than 40 years ago. Closely related tetragonal and orthorhombic forms belonging to space groups P4 3 2 1 2 and P2 1 2 1 2 1 , with unit-cell parameters a = b = 68.7, c = 182.1 and a = 67.7, b = 69.4, c = 87.3 Å, diffract to 1.5 and 1.9 Å, respectively. Two closely related trigonal forms, both belonging to space group P3 1 21 with unit-cell parameters a = b = 154.3 Å but differing by a doubling of the c axis, one 46.9 Å and the other 94.0 Å, diffract to 2.9 and 2.6 Å resolution, respectively. The trigonal crystal of short c-axis length shows a positive indication of twinning. The trigonal crystal of longer c axis, which appeared only after eight months of incubation at room temperature, is likely to be composed of proteolytically degraded molecules and unlike the other crystal forms contains two entire Bence-Jones dimers in the asymmetric unit. This latter crystal form may shed some light on the formation of fibrils common to certain storage diseases

Crystallization and evaluation of hen egg-white lysozyme crystals for protein pH titration in the crystalline state.

Science.gov (United States)

Iwai, Wakari; Yagi, Daichi; Ishikawa, Takuya; Ohnishi, Yuki; Tanaka, Ichiro; Niimura, Nobuo

2008-05-01

To observe the ionized status of the amino acid residues in proteins at different pH (protein pH titration in the crystalline state) by neutron diffraction, hen egg-white lysozyme was crystallized over a wide pH range (2.5-8.0). Crystallization phase diagrams at pH 2.5, 6.0 and 7.5 were determined. At pH diagram, and at pH > 4.5 the border shifted to the right (higher precipitant concentration). The qualities of these crystals were characterized using the Wilson plot method. The qualities of all crystals at different pH were more or less equivalent (B-factor values within 25-40). It is expected that neutron diffraction analysis of these crystals of different pH provides equivalent data in quality for discussions of protein pH titration in the crystalline state of hen egg-white lysozyme.

Uranium and thorium concentration process during partial fusion and crystallization of granitic magma

International Nuclear Information System (INIS)

Cuney, M.

1982-01-01

Two major processes, frequently difficult to distinguish, lead to uranium and thorium enrichment in igneous rocks and more particularly in granitoids; these are partial melting and fractional crystallization. Mont-Laurier uranothoriferous pegmatoids, Bancroft and Roessing deposits are examples of radioelement concentrations resulting mostly of low grade of melting on essentially metasedimentary formations deposited on a continental margin or intracratonic. Fractional crystallization follows generally partial melting even in migmatitic areas. Conditions prevailing during magma crystallization and in particular oxygen fugacity led either to the formation of uranium preconcentrations in granitoids, or to its partition in the fluid phase expelled from the magma. No important economic uranium deposit appears to be mostly related to fractional crystallization of large plutonic bodies

Ultrastructural and biochemical studies on formation of calcium oxalate in plants

International Nuclear Information System (INIS)

Abdelmottaleb, A.M.

1989-01-01

Plant calcium oxalate crystals occur within cells called crystal idioblasts. Important aspects of this calcification phenomenon have not been characterized. This dissertation examines some of the aspects of this ubiquitous type of calcification including (1) characterization of ultrastructural features of developing crystal idioblasts, (2) determination of the relationship of specialized ultrastructural features of the idioblasts to transport of compounds and mechanisms of crystal deposition, and (3) the biochemical relationship between ascorbic acid metabolism and production of oxalic acid used for crystal formation. Structural and cytochemical studies revealed that crystal idioblasts have dense cytoplasm, modified plastids, enlarged nuclei, extensive endoplasmic reticulum, numerous dictyosomes and vesicles, and a bundle of raphide crystals in their vacuoles. A mechanism for Ca transport and crystal precipitation is proposed, based on these results. There is a strong and dynamic relationship between Ca concentration and oxalic acid produced for crystal formation, where increasing Ca level in the growth medium lead to increased total and insoluble oxalate in the plant. Calmodulin antagonists reduced oxalic acid production

Polarized spectroscopic properties of Er3+:Gd2SiO5 crystal and evaluation of Er3+:Yb3+:Gd2SiO5 crystal as a 1.55 μm laser medium

International Nuclear Information System (INIS)

Wang, H.; Huang, J.H.; Gong, X.H.; Chen, Y.J.; Lin, Y.F.; Luo, Z.D.; Huang, Y.D.

2016-01-01

An Er 3+ -doped Gd 2 SiO 5 single crystal with high optical quality has been grown by the Czochralski method. Polarized absorption and fluorescence spectra and fluorescence lifetime of the crystal were measured at room temperature. Intensity parameters, spontaneous emission probabilities, fluorescence branching ratios, and radiative lifetimes were estimated on the basis of the Judd–Ofelt theory. Besides, potentiality of 1.55 μm laser emission in an Er 3+ –Yb 3+ co-doped Gd 2 SiO 5 crystal was evaluated.

Biofilm Formation of Staphylococcus aureus on Various Surfaces and Their Resistance to Chlorine Sanitizer.

Science.gov (United States)

Lee, Jung-Su; Bae, Young-Min; Lee, Sook-Young; Lee, Sun-Young

2015-10-01

This study investigated the effect of material types (polystyrene, polypropylene, glass, and stainless steel) and glucose addition on Staphylococcus aureus biofilm formation, and the relationship between biofilm formation measured by crystal violet (CV) staining and the number of biofilm cells determined by cell counts was studied. We also evaluated the efficacy of chlorine sanitizer on inhibiting various different types of S. aureus biofilms on the surface of stainless steel. Levels of biofilm formation of S. aureus were higher on hydrophilic surfaces (glass and stainless steel) than on hydrophobic surfaces (polypropylene and polystyrene). With the exception of biofilm formed on glass, the addition of glucose in broth significantly increased the biofilm formation of S. aureus on all surfaces and for all tested strains (P ≤ 0.05). The number of biofilm cells was not correlated with the biomass of the biofilms determined using the CV staining method. The efficacy of chlorine sanitizer against biofilm of S. aureus was not significantly different depending on types of biofilm (P > 0.05). Therefore, further studies are needed in order to determine an accurate method quantifying levels of bacterial biofilm and to evaluate the resistance of bacterial biofilm on the material surface. Biofilm formation of Staphylococcus aureus on the surface was different depending on the surface characteristics and S. aureus strains. There was low correlation between crystal violet staining method and viable counts technique for measuring levels of biofilm formation of S. aureus on the surfaces. These results could provide helpful information for finding and understanding the quantification method and resistance of bacterial biofilm on the surface. © 2015 Institute of Food Technologists®

Formation and stability of Fe-rich precipitates in dilute Zr(Fe) single-crystal alloys

International Nuclear Information System (INIS)

Zou, H.; Hood, G.M.; Roy, J.A.; Schultz, R.J.

1993-02-01

The formation and stability of Fe-rich precipitates in two α-Zr(Fe) single-crystal alloys with nominal compositions (I, 50 ppma Fe, and II, 650 ppma Fe) have been investigated (the maximum solid solubility of Fe in α-Zr is 180 ppma - 800 C). Optical microscopy, scanning electron microscopy (SEM) and transmission electron microscopy (TEM) have been used to examine the characteristics of Fe-rich precipitates. SEM and TEM micrographs show that in as-grown alloy II, Zr 2 Fe precipitates are located at 'stringers'. Precipitates were not observed in as-grown alloy I. During annealing, below the solvus, Fe diffuses to the surfaces to form Zr 3 Fe precipitates in both alloys. The precipitates on the surfaces of alloy I tend to be star-like (0001) or pyramidal (1010), and their distribution is heterogeneous. Dissolution of Zr 3 Fe surface precipitates of alloy I (annealing above the solvus) leaves precipitate-like features on the surfaces. Zr 2 Fe precipitates in as-grown alloy II can be dissolved only by β-phase annealing. (Author) 8 figs., 18 refs

Transmission electron microscopy physics of image formation and microanalysis

CERN Document Server

Reimer, Ludwig

1997-01-01

Transmission Electron Microscopy presents the theory of image and contrast formation, and the analytical modes in transmission electron microscopy. The principles of particle and wave optics of electrons are described. Electron-specimen interactions are discussed for evaluating the theory of scattering and phase contrast. Also discussed are the kinematical and dynamical theories of electron diffraction and their applications for crystal-structure analysis and imaging of lattices and their defects. X-ray micronanalysis and electron energy-loss spectroscopy are treated as analytical methods. Specimen damage and contamination by electron irradiation limits the resolution for biological and some inorganic specimens. This fourth edition includes discussion of recent progress, especially in the area of Schottky emission guns, convergent-beam electron diffraction, electron tomography, holography and the high resolution of crystal lattices.

Applications of thin-film sandwich crystallization platforms

Energy Technology Data Exchange (ETDEWEB)

Axford, Danny, E-mail: danny.axford@diamond.ac.uk; Aller, Pierre; Sanchez-Weatherby, Juan; Sandy, James [Diamond Light Source, Harwell Oxford, Didcot OX11 0DE (United Kingdom)

2016-03-24

Crystallization via sandwiches of thin polymer films is presented and discussed. Examples are shown of protein crystallization in, and data collection from, solutions sandwiched between thin polymer films using vapour-diffusion and batch methods. The crystallization platform is optimal for both visualization and in situ data collection, with the need for traditional harvesting being eliminated. In wells constructed from the thinnest plastic and with a minimum of aqueous liquid, flash-cooling to 100 K is possible without significant ice formation and without any degradation in crystal quality. The approach is simple; it utilizes low-cost consumables but yields high-quality data with minimal sample intervention and, with the very low levels of background X-ray scatter that are observed, is optimal for microcrystals.

Ammonium Nitrogen Removal from Urea Fertilizer Plant Wastewater via Struvite Crystal Production

Science.gov (United States)

Machdar, I.; Depari, S. D.; Ulfa, R.; Muhammad, S.; Hisbullah, A. B.; Safrul, W.

2018-05-01

Elimination of ammonium concentration from urea fertilizer plant wastewater through struvite crystal (NH4MgPO4.6H2O) formation by adding MgCl2, KH2PO4, and KOH were studied. This method of elimination has two benefits, namely, reducing ammonium nitrogen content in the wastewater, as well as production of a valuable material (struvite crystal). Struvite is known as a slow-release fertilizer and less soluble. This report presents the ammonium removal efficiencies during struvite formation. The growth of struvite production under different molar ratios of Mg2+:NH4 +:PO4 3- and solution pH is also discussed. To find the efficiencies and measure the growth rates, lab-scale experiments were conducted in a batch crystallizer-reactor. SEM, XRD, and FTIR observation were also applied to investigate the characteristics of struvite. The reactant molar ratios of Mg2+:NH4 +:PO4 3- of 1.2:1:1, 1:1:1.2, and 1:1:1 were evaluated. Each of the molar ratios was treated at the solution pH of 8, 9, and 10. It was found that, the highest ammonium removal efficiency was 94.7% at the molar ratio of 1.2:1:1 and pH of 9. Primarily, the growth rate of struvite formation complied with a first-order kinetic model. The rate constants (k1) were calculated to be 2.6, 4.3, and 5.0 h-1 for solution pH of 8, 9, and 10, respectively. The findings of the study provide suggestion for an alternative sustainable recovery of ammonium nitrogen content in a urea fertilizer plant effluent.

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.

Formation of superlattice with aligned plane orientation of colloidal PbS quantum dots

Science.gov (United States)

Mukai, Kohki; Fujimoto, Satoshi; Suetsugu, Fumimasa

2018-04-01

We investigated a method of forming a perfect quantum dot (QD) superlattice, in which each QD has the same plane orientation, by depositing colloidal PbS QDs with clear facets in solution. QD facets were controlled by adjusting the synthesis temperature. X-ray evaluation showed that the crystal orientations of the film with QDs having clear facets were aligned. The slow deposition promoted this crystal alignment. The red shift of photoluminescence wavelength caused by the film formation was larger with QDs having facets than with spherical QDs, suggesting that the connection of the wave function between QDs was better so that the quantum size effect was further reduced.

Self-templated synthesis of single-crystal and single-domain ferroelectric nanoplates

KAUST Repository

Chao, Chunying; Ren, Zhaohui; Zhu, Yihan; Xiao, Zhen; Liu, Zhenya; Xú , Gang; Mai, Jiangquan; Li, Xiang; Shen, Ge; Han, Gaorong

2012-01-01

Free-standing single-crystal PbTiO 3 nanoplates (see picture) were synthesized by a facile hydrothermal method. A "self-templated" crystal growth is presumed to lead to the formation of the PbTiO 3 nanoplates, which have ferroelectric single

Operation condition for continuous anti-solvent crystallization of CBZ-SAC cocrystal considering deposition risk of undesired crystals

Science.gov (United States)

Nishimaru, Momoko; Nakasa, Miku; Kudo, Shoji; Takiyama, Hiroshi

2017-07-01

Crystallization operation of cocrystal production has deposition risk of undesired crystals. Simultaneously, continuous manufacturing processes are focused on. In this study, conditions for continuous cocrystallization considering risk reduction of undesired crystals deposition were investigated on the view point of thermodynamics and kinetics. The anti-solvent cocrystallization was carried out in four-component system of carbamazepine, saccharin, methanol and water. From the preliminary batch experiment, the relationships among undesired crystal deposition, solution composition decided by mixing ratio of solutions, and residence time for the crystals were considered, and then the conditions of continuous experiment were decided. Under these conditions, the continuous experiment was carried out. The XRD patterns of obtained crystals in the continuous experiment showed that desired cocrystals were obtained without undesired crystals. This experimental result was evaluated by using multi-component phase diagrams from the view point of the operation point's movement. From the evaluation, it was found that there is a certain operation condition which the operation point is fixed with time in the specific domain without the deposition risk of undesired single component crystals. It means the possibility of continuous production of cocrystals without deposition risk of undesired crystals was confirmed by using multi-component phase diagrams.

Crystallization processes in Ni-Ti-B glassy alloys of near-ternary-eutectic composition

International Nuclear Information System (INIS)

Merk, N.; Morris, D.G.; Stadelmann, P.

1987-01-01

The crystallization kinetics and mechanisms of three Ni-Ti-B glasses have been examined with a view to elucidating the roles of chemical composition and quenched structure on behaviour. Alloys of composition near a ternary-eutectic point have been chosen because they represent a real and complex situation where several crystalline phases may form simultaneously. Crystallization processes are analysed in terms of nucleation and growth stages. Different nucleation mechanisms seem to be best explained in terms of the short range ordered structure of the quenched glass. Analysis of crystal glass interface energies indicates that it is not this energy term which controls the nucleation of crystals on annealing. Crystal growth may involve a eutectic mechanism or a single-phase mechanism controlled by interface or matrix-diffusion kinetics. Crystallization is fastest when eutectic nucleation and growth occurs. Formation of the eutectic colony requires the initial formation of the phase of complex structure followed by the phase of simpler structure

The plug-based nanovolume Microcapillary Protein Crystallization System (MPCS)

International Nuclear Information System (INIS)

Gerdts, Cory J.; Elliott, Mark; Lovell, Scott; Mixon, Mark B.; Napuli, Alberto J.; Staker, Bart L.; Nollert, Peter; Stewart, Lance

2008-01-01

The Microcapillary Protein Crystallization System (MPCS) is a new protein-crystallization technology used to generate nanolitre-sized crystallization experiments for crystal screening and optimization. Using the MPCS, diffraction-ready crystals were grown in the plastic MPCS CrystalCard and were used to solve the structure of methionine-R-sulfoxide reductase. The Microcapillary Protein Crystallization System (MPCS) embodies a new semi-automated plug-based crystallization technology which enables nanolitre-volume screening of crystallization conditions in a plasticware format that allows crystals to be easily removed for traditional cryoprotection and X-ray diffraction data collection. Protein crystals grown in these plastic devices can be directly subjected to in situ X-ray diffraction studies. The MPCS integrates the formulation of crystallization cocktails with the preparation of the crystallization experiments. Within microfluidic Teflon tubing or the microfluidic circuitry of a plastic CrystalCard, ∼10–20 nl volume droplets are generated, each representing a microbatch-style crystallization experiment with a different chemical composition. The entire protein sample is utilized in crystallization experiments. Sparse-matrix screening and chemical gradient screening can be combined in one comprehensive ‘hybrid’ crystallization trial. The technology lends itself well to optimization by high-granularity gradient screening using optimization reagents such as precipitation agents, ligands or cryoprotectants

Evaluation of Semi-supervised Learning for Classification of Protein Crystallization Imagery.

Science.gov (United States)

Sigdel, Madhav; Dinç, İmren; Dinç, Semih; Sigdel, Madhu S; Pusey, Marc L; Aygün, Ramazan S

2014-03-01

In this paper, we investigate the performance of two wrapper methods for semi-supervised learning algorithms for classification of protein crystallization images with limited labeled images. Firstly, we evaluate the performance of semi-supervised approach using self-training with naïve Bayesian (NB) and sequential minimum optimization (SMO) as the base classifiers. The confidence values returned by these classifiers are used to select high confident predictions to be used for self-training. Secondly, we analyze the performance of Yet Another Two Stage Idea (YATSI) semi-supervised learning using NB, SMO, multilayer perceptron (MLP), J48 and random forest (RF) classifiers. These results are compared with the basic supervised learning using the same training sets. We perform our experiments on a dataset consisting of 2250 protein crystallization images for different proportions of training and test data. Our results indicate that NB and SMO using both self-training and YATSI semi-supervised approaches improve accuracies with respect to supervised learning. On the other hand, MLP, J48 and RF perform better using basic supervised learning. Overall, random forest classifier yields the best accuracy with supervised learning for our dataset.

Evaluation of undoped ZnS single crystal materials for x-ray imaging applications

Science.gov (United States)

Saleh, Muad; Lynn, Kelvin G.; McCloy, John S.

2017-05-01

ZnS-based materials have a long history of use as x-ray luminescent materials. ZnS was one of the first discovered scintillators and is reported to have one of the highest scintillator efficiencies. The use of ZnS for high energy luminescence has been thus far limited to thin powder screens, such as ZnS:Ag which is used for detecting alpha radiation, due to opacity to its scintillation light, primarily due to scattering. ZnS in bulk form (chemical vapor deposited, powder processed, and single crystal) has high transmission and low scattering compared to powder screens. In this paper, the performance of single crystalline ZnS is evaluated for low energy x-ray (PLE) of several undoped ZnS single crystals is compared to their Radioluminescence (RL) spectra. It was found that the ZnS emission wavelength varies on the excitation source energy.

Automation in biological crystallization.

Science.gov (United States)

Stewart, Patrick Shaw; Mueller-Dieckmann, Jochen

2014-06-01

Crystallization remains the bottleneck in the crystallographic process leading from a gene to a three-dimensional model of the encoded protein or RNA. Automation of the individual steps of a crystallization experiment, from the preparation of crystallization cocktails for initial or optimization screens to the imaging of the experiments, has been the response to address this issue. Today, large high-throughput crystallization facilities, many of them open to the general user community, are capable of setting up thousands of crystallization trials per day. It is thus possible to test multiple constructs of each target for their ability to form crystals on a production-line basis. This has improved success rates and made crystallization much more convenient. High-throughput crystallization, however, cannot relieve users of the task of producing samples of high quality. Moreover, the time gained from eliminating manual preparations must now be invested in the careful evaluation of the increased number of experiments. The latter requires a sophisticated data and laboratory information-management system. A review of the current state of automation at the individual steps of crystallization with specific attention to the automation of optimization is given.

Formation and Transformation Behavior of Sodium Dehydroacetate Hydrates

Directory of Open Access Journals (Sweden)

Xia Zhang

2016-04-01

Full Text Available The effect of various controlling factors on the polymorphic outcome of sodium dehydroacetate crystallization was investigated in this study. Cooling crystallization experiments of sodium dehydroacetate in water were conducted at different concentrations. The results revealed that the rate of supersaturation generation played a key role in the formation of the hydrates. At a high supersaturation generation rate, a new sodium dehydroacetate dihydrate needle form was obtained; on the contrary, a sodium dehydroacetate plate monohydrate was formed at a low supersaturation generation rate. Furthermore, the characterization and transformation behavior of these two hydrated forms were investigated with the combined use of microscopy, powder X-ray diffraction (PXRD, Raman spectroscopy, Fourier transform infrared (FTIR, thermal gravimetric analysis (TGA, scanning electron microscopy (SEM and dynamic vapor sorption (DVS. It was found that the new needle crystals were dihydrated and hollow, and they eventually transformed into sodium dehydroacetate monohydrate. In addition, the mechanism of formation of sodium dehydroacetate hydrates was discussed, and a process growth model of hollow crystals in cooling crystallization was proposed.

Crystal structure refinement with SHELXL

Energy Technology Data Exchange (ETDEWEB)

Sheldrick, George M., E-mail: gsheldr@shelx.uni-ac.gwdg.de [Department of Structural Chemistry, Georg-August Universität Göttingen, Tammannstraße 4, Göttingen 37077 (Germany)

2015-01-01

New features added to the refinement program SHELXL since 2008 are described and explained. The improvements in the crystal structure refinement program SHELXL have been closely coupled with the development and increasing importance of the CIF (Crystallographic Information Framework) format for validating and archiving crystal structures. An important simplification is that now only one file in CIF format (for convenience, referred to simply as ‘a CIF’) containing embedded reflection data and SHELXL instructions is needed for a complete structure archive; the program SHREDCIF can be used to extract the .hkl and .ins files required for further refinement with SHELXL. Recent developments in SHELXL facilitate refinement against neutron diffraction data, the treatment of H atoms, the determination of absolute structure, the input of partial structure factors and the refinement of twinned and disordered structures. SHELXL is available free to academics for the Windows, Linux and Mac OS X operating systems, and is particularly suitable for multiple-core processors.

Citrate effects on amorphous calcium carbonate (ACC) structure, stability, and crystallization

DEFF Research Database (Denmark)

Tobler, Dominique Jeanette; Rodriguez Blanco, Juan Diego; Dideriksen, Knud

2015-01-01

Understanding the role of citrate in the crystallization kinetics of amorphous calcium carbonate (ACC) is essential to explain the formation mechanisms, stabilities, surface properties, and morphologies of CaCO3 biominerals. It also contributes to deeper insight into fluid-mineral inte......Understanding the role of citrate in the crystallization kinetics of amorphous calcium carbonate (ACC) is essential to explain the formation mechanisms, stabilities, surface properties, and morphologies of CaCO3 biominerals. It also contributes to deeper insight into fluid...

Generation of ionizing radiation from lithium niobate crystals

Science.gov (United States)

Orlikov, L. N.; Orlikov, N. L.; Arestov, S. I.; Mambetova, K. M.; Shandarov, S. M.

2017-01-01

The work done experimentally explores generation of electron and x-ray radiation in the process of heating and cooling monolithic and iron-doped crystals of lithium niobate. Iron doping to the concentrations in the range of 1023 m3 was carried out by adding ferric oxide into the melt during the process of crystal growth. The research into radiation generation was performed at 1-10 Pa. The speed of heating from -10 to 1070 C was 10-20 degrees a minute. Current pulses appeared at 17, 38, 56, 94, 98, 100, 105, 106, 1070 C with the interval of 1-3 minutes. The obtained electron current increased in direct proportion to the crystal surface area. The maximum current was 3mA at the design voltage 11 kV on the crystal with 14,5x10,5x10 mm3 surface area. The article describes the possibility to control the start of generation by introducing priming pulse. The results achieved are explained by the domain repolarization while heating the crystal and the appearance of electric field local strength. Bias and overcharge currents contribute to the appearance of electric strength, which stimulates breakdown and plasma formation. X-ray radiation appears both at the stage of discharge formation and during electron deceleration on gas and target material.

Four crystal forms of a Bence-Jones protein

Energy Technology Data Exchange (ETDEWEB)

Makino, Debora L.; Henschen-Edman, Agnes H.; McPherson, Alexander, E-mail: amcphers@uci.edu [Molecular Biology and Biochemistry, University of California, Irvine, 560 Steinhaus Hall, Irvine, CA 92697-3900 (United States)

2005-01-01

Four crystal forms have been grown and characterized by X-ray diffraction of a Bence-Jones protein collected from the urine of a multiple myeloma patient more than 40 y ago. The trigonal crystal form may shed some light on the formation of fibrils common to certain storage diseases. Four crystal forms have been grown and characterized by X-ray diffraction of a Bence-Jones protein collected from the urine of a multiple myeloma patient more than 40 years ago. Closely related tetragonal and orthorhombic forms belonging to space groups P4{sub 3}2{sub 1}2 and P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = b = 68.7, c = 182.1 and a = 67.7, b = 69.4, c = 87.3 Å, diffract to 1.5 and 1.9 Å, respectively. Two closely related trigonal forms, both belonging to space group P3{sub 1}21 with unit-cell parameters a = b = 154.3 Å but differing by a doubling of the c axis, one 46.9 Å and the other 94.0 Å, diffract to 2.9 and 2.6 Å resolution, respectively. The trigonal crystal of short c-axis length shows a positive indication of twinning. The trigonal crystal of longer c axis, which appeared only after eight months of incubation at room temperature, is likely to be composed of proteolytically degraded molecules and unlike the other crystal forms contains two entire Bence-Jones dimers in the asymmetric unit. This latter crystal form may shed some light on the formation of fibrils common to certain storage diseases.

Development of a task-based design approach for solution crystallization processes

NARCIS (Netherlands)

Lakerveld, R.

2010-01-01

Crystallization is historically one of the most important separation and product formation technologies in chemical industry. The future impact of crystallization is expected to increase as new high-added value products are often in crystalline form and need to comply with increasingly stringent

CT Imaging for Evaluation of Calcium Crystal Deposition in the Knee: Initial Experience from The Multicenter Osteoarthritis (MOST) Study

Science.gov (United States)

Misra, Devyani; Guermazi, Ali; Sieren, Jered P.; Lynch, John; Torner, James; Neogi, Tuhina; Felson, David T.

2014-01-01

Objective Role of intra-articular calcium crystals in osteoarthritis (OA) is unclear. Imaging modalities used to date for its evaluation have limitations in their ability to fully characterize intra-articular crystal deposition. Since Computed Tomography (CT) imaging provides excellent visualization of bones and calcified tissue, in this pilot project we evaluated the utility of CT scan in describing intra-articular calcium crystal deposition in the knees. Method We included 12 subjects with and 4 subjects without radiographic chondrocalcinosis in the most recent visit from the Multicenter Osteoarthritis (MOST) study, which is a longitudinal cohort of community-dwelling older adults with or at risk for knee OA. All subjects underwent CT scans of bilateral knees. Each knee was divided into 25 subregions and each subregion was read for presence of calcium crystals by a musculoskeletal radiologist. To assess reliability, readings were repeated 4 weeks later. Results CT images permitted visualization of 25 subregions with calcification within and around the tibio-femoral and patello-femoral joints in all 24 knees with radiographic chondrocalcinosis. Intra-articular calcification was seen universally including meniscal cartilage (most common site involved in 21/24 knees), hyaline cartilage, cruciate ligaments, medial collateral ligament and joint capsule. Readings showed good agreement for specific tissues involved with calcium deposition (kappa: 0.70, 95% CI 0.62–0.80). Conclusion We found CT scan to be a useful and reliable tool for describing calcium crystal deposition in the knee and therefore potentially for studying role of calcium crystals in OA. We also confirmed that “chondrocalcinosis” is a misnomer because calcification is present ubiquitously. PMID:25451303

The growth of crystals of erbium hydride

International Nuclear Information System (INIS)

Grimshaw, J.A.; Spooner, F.J.; Wilson, C.G.; McQuillan, A.D.

1981-01-01

Crystals of the rare-earth hydride ErH 2 have been produced with face areas greater than a square millimetre and corresponding volumes exceeding those of earlier crystals by orders of magnitude. The hydride, which was produced in bulk polycrystalline form by hydriding erbium metal at 950 0 C, has been examined by optical and X-ray techniques. For material of composition ErH 2 and ErHsub(1.8) the size of the grains and their degree of strain appears to depend more on oxygen contamination during formation and on the subsequent cooling procedure, than on the size of erbium metal crystals in the starting material. (author)

Microstructural characterization of CPPD and hydroxyapatite crystal depositions on human menisci

Energy Technology Data Exchange (ETDEWEB)

Katsamenis, Orestis L. [Bioengineering Research Group, University of Southampton, Southampton, SO17 1BJ (United Kingdom); Department of Materials Science, University of Patras, 26504 Rio, Patras (Greece); Karoutsos, Vagelis [Department of Materials Science, University of Patras, 26504 Rio, Patras (Greece); Kontostanos, Konstantinos; Panagiotopoulos, Elias C. [Department of Orthopaedics, School of Medicine, University of Patras, 26500 Rio, Patras (Greece); Papadaki, Helen [Department of Anatomy-Histology-Embryology, School of Medicine, University of Patras, 26500 Rio, Patras (Greece); Bouropoulos, Nikolaos [Department of Materials Science, University of Patras, 26504 Rio, Patras (Greece); Foundation for Research and Technology, Hellas-Institute of Chemical Engineering and High Temperature Chemical Processes - FORTH/ICE-HT, P.O. Box 1414, GR-26504 Patras (Greece)

2012-11-15

Meniscus is a fibrocartilaginous tissue composed mainly of water and a dense elaborate collagen network with a predominantly circumferential alignment. Crystal formation and accumulation on meniscal tissue is frequently observed especially in elderly. In this study, we used X-ray diffraction (XRD), FTIR and FT-Raman for the structural identification of the depositions and Optical microscopy, Scanning Electron microscopy (SEM/EDX) and Atomic Force microscopy (AFM), in order to investigate the structural relationship between the crystal deposits and the collagen fibers of human meniscal tissues. We are reporting on the formation of intercalary ''colonies'' of Calcium Pyrophosphate Dihydrate (CPPD) crystals with two distinct morphologies corresponding to the monoclinic and the triclinic phase, as well as the formation of micro-aggregations composed of nano-crystalline HAP aggregations which are developed along the longitudinal axis of collagen fibers without extensively disturbing the collagens arrangement. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Initial steps of supercontinuum generation in photonic crystal fibers

DEFF Research Database (Denmark)

Hilligsøe, Karen Marie; Paulsen, H.N.; Thøgersen, J.

2003-01-01

The onset of supercontinuum generation in a photonic crystal fiber is investigated experimentally and numerically as a function of pump wavelength and intensity with 100-fs pulses. Soliton formation is found to be the determining factor in the initial step. The formation and behavior of a blueshi...

Programmatic conversion of crystal structures into 3D printable files using Jmol

OpenAIRE

Scalfani, Vincent F.; Williams, Antony J.; Tkachenko, Valery; Karapetyan, Karen; Pshenichnov, Alexey; Hanson, Robert M.; Liddie, Jahred M.; Bara, Jason E.

2016-01-01

Background Three-dimensional (3D) printed crystal structures are useful for chemistry teaching and research. Current manual methods of converting crystal structures into 3D printable files are time-consuming and tedious. To overcome this limitation, we developed a programmatic method that allows for facile conversion of thousands of crystal structures directly into 3D printable files. Results A collection of over 30,000 crystal structures in crystallographic information file (CIF) format from...

Crystallization characteristics of cast aluminum alloys during a unidirectional solidification process

Energy Technology Data Exchange (ETDEWEB)

Okayasu, Mitsuhiro, E-mail: mitsuhiro.okayasu@utoronto.ca; Takeuchi, Shuhei

2015-05-01

The crystal orientation characteristics of cast Al–Si, Al–Cu and Al–Mg alloys produced by a unidirectional solidification process are examined. Two distinct crystal orientation patterns are observed: uniform and random formation. A uniform crystal orientation is created by columnar growth of α-Al dendrites in the alloys with low proportions of alloying element, e.g., the Al–Si alloy (with Si <12.6%) and the Al–Cu and Al–Mg alloys (with Cu and Mg <2%). A uniformly organized crystal orientation with [100] direction is created by columnar growth of α-Al dendrites. With increasing proportion of alloying element (>2% Cu or Mg), the uniform crystal orientations collapse in the Al–Cu and Al–Mg alloys, owing to interruption of the columnar α-Al dendrite growth as a result of different dynamics of the alloying atoms and the creation of a core for the eutectic phases. For the hypo-eutectic Al–Si alloys, a uniform crystal orientation is obtained. In contrast, a random orientation can be detected in the hyper-eutectic Al–Si alloy (15% Si), which results from interruption of the growth of the α-Al dendrites due to precipitation of primary Si particles. There is no clear effect of crystal formation on ultimate tensile strength (UTS), whereas crystal orientation does influence the material ductility, with the alloys with a uniform crystal orientation being elongated beyond their UTS points and with necking occurring in the test specimens. In contrast, the alloys with a nonuniform crystal orientation are not elongated beyond their UTS points.

Crystallization characteristics of cast aluminum alloys during a unidirectional solidification process

International Nuclear Information System (INIS)

Okayasu, Mitsuhiro; Takeuchi, Shuhei

2015-01-01

The crystal orientation characteristics of cast Al–Si, Al–Cu and Al–Mg alloys produced by a unidirectional solidification process are examined. Two distinct crystal orientation patterns are observed: uniform and random formation. A uniform crystal orientation is created by columnar growth of α-Al dendrites in the alloys with low proportions of alloying element, e.g., the Al–Si alloy (with Si <12.6%) and the Al–Cu and Al–Mg alloys (with Cu and Mg <2%). A uniformly organized crystal orientation with [100] direction is created by columnar growth of α-Al dendrites. With increasing proportion of alloying element (>2% Cu or Mg), the uniform crystal orientations collapse in the Al–Cu and Al–Mg alloys, owing to interruption of the columnar α-Al dendrite growth as a result of different dynamics of the alloying atoms and the creation of a core for the eutectic phases. For the hypo-eutectic Al–Si alloys, a uniform crystal orientation is obtained. In contrast, a random orientation can be detected in the hyper-eutectic Al–Si alloy (15% Si), which results from interruption of the growth of the α-Al dendrites due to precipitation of primary Si particles. There is no clear effect of crystal formation on ultimate tensile strength (UTS), whereas crystal orientation does influence the material ductility, with the alloys with a uniform crystal orientation being elongated beyond their UTS points and with necking occurring in the test specimens. In contrast, the alloys with a nonuniform crystal orientation are not elongated beyond their UTS points

Evaluation of Candida albicans biofilm formation on various dental ...

African Journals Online (AJOL)

Evaluation of Candida albicans biofilm formation on various dental restorative material surfaces. ... Nigerian Journal of Clinical Practice ... was significantly lower on the resin-modified glass ionomer and glass-ionomer cement samples. ... Conclusion: This finding emphasizes the use of glass ionomer restorative cements and ...

Effect of carbon additions on the as-cast microstructure and defect formation of a single crystal Ni-based superalloy

International Nuclear Information System (INIS)

Al-Jarba, K.A.; Fuchs, G.E.

2004-01-01

In an effort to reduce grain defects in large single crystal Ni-base superalloy components, carbon is intentionally added. In this study, the effect of carbon additions on the microstructure and solidification defect formation of a model Ni-based superalloy, LMSX-1, was examined. The results show that the tendency of the alloy to form all types of solidification defects decreased as the carbon content increased. The as-cast microstructures also exhibited a decrease in the amount of γ-γ' eutectic structure and an increase in the volume fraction of carbides and porosity, as the carbon content was increased. The carbides formed in these alloys were mostly of script-type MC carbides which formed continuous, dendritic networks in the interdendritic region. Microprobe analysis of the as-cast structures showed that the partitioning coefficients did not change with carbon additions. Therefore, the reduction in defect formation with increasing carbon content could not be attributed to changes in segregation behavior of alloying elements. Instead, the presence of these carbides in the interdendritic regions of the alloy appeared to have prevented the thermosolutal fluid flow

Modeling of photonic Crystal Fibres

DEFF Research Database (Denmark)

Bjarklev, Anders Overgaard; Broeng, Jes; Barkou, Stig Eigil

1999-01-01

Diferent theoretical models for analysis of photonic crystal fibres are reviewed and compaired. The methods span from simple scalar approaches to full-vectorial models using different mode-field decompositions. The specific advantages of the methods are evaluated.......Diferent theoretical models for analysis of photonic crystal fibres are reviewed and compaired. The methods span from simple scalar approaches to full-vectorial models using different mode-field decompositions. The specific advantages of the methods are evaluated....

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.

Crystallization, the cast structure and the formation of gas blowholes in high-nitrogen steels and alloy steels

International Nuclear Information System (INIS)

Svyazhin, A.G.; Prokoshkina, V.; Kaputkina, L.M.; Siwka, J.; Skuza, Z.

2001-01-01

In the paper, the results of experimental research concerning the precipitation of nitrogen in the form of gas blowholes during the crystallization of supersaturated Fe-N, Fe-O-S-N alloys and 1Cr13 and Cr18Ni10 steels have been described. It has been found that the precipitation of nitrogen gas blowholes is more intensive and the pressure p N 2 is higher at low contents of surface active elements, i.e. oxygen and sulfur. At the concentration ([%O] +0.5%[%S]) ≥ 300 ppm, microingots exhibited a compact microstructure without gas blowholes. The result of kinetic analysis of the process of desorption of nitrogen and the thermodynamics of the investigated solution (including surface tension) confirm that the surface reaction plays a decisive role in the formation of gas blowholes. For this reason, it is possible to eliminate the formation of blowholes in ingots of ferritic and ferritic-austenitic steels by introducing such SAE admixtures, as Sb, Te or Se. Analytical expression have been obtained, which define the amount of nitrogen releasing into gas blowholes and describe the conditions of producing ingots or castings of an compact structure at cooling rates of approximately 10 3 K/s. (author)

Gypsum crystals observed in experimental and natural sea ice

Science.gov (United States)

Geilfus, N.-X.; Galley, R. J.; Cooper, M.; Halden, N.; Hare, A.; Wang, F.; Søgaard, D. H.; Rysgaard, S.

2013-12-01

gypsum has been predicted to precipitate in sea ice, it has never been observed. Here we provide the first report on gypsum precipitation in both experimental and natural sea ice. Crystals were identified by X-ray diffraction analysis. Based on their apparent distinguishing characteristics, the gypsum crystals were identified as being authigenic. The FREeZing CHEMistry (FREZCHEM) model results support our observations of both gypsum and ikaite precipitation at typical in situ sea ice temperatures and confirms the "Gitterman pathway" where gypsum is predicted to precipitate. The occurrence of authigenic gypsum in sea ice during its formation represents a new observation of precipitate formation and potential marine deposition in polar seas.

Disappearing Enantiomorphs: Single Handedness in Racemate Crystals.

Science.gov (United States)

Parschau, Manfred; Ernst, Karl-Heinz

2015-11-23

Although crystallization is the most important method for the separation of enantiomers of chiral molecules in the chemical industry, the chiral recognition involved in this process is poorly understood at the molecular level. We report on the initial steps in the formation of layered racemate crystals from a racemic mixture, as observed by STM at submolecular resolution. Grown on a copper single-crystal surface, the chiral hydrocarbon heptahelicene formed chiral racemic lattice structures within the first layer. In the second layer, enantiomerically pure domains were observed, underneath which the first layer contained exclusively the other enantiomer. Hence, the system changed from a 2D racemate into a 3D racemate with enantiomerically pure layers after exceeding monolayer-saturation coverage. A chiral bias in form of a small enantiomeric excess suppressed the crystallization of one double-layer enantiomorph so that the pure minor enantiomer crystallized only in the second layer. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Crystal Structure Formation of CH3NH3PbI3-xClx Perovskite

Directory of Open Access Journals (Sweden)

Shiqiang Luo

2016-02-01

Full Text Available Inorganic-organic hydride perovskites bring the hope for fabricating low-cost and large-scale solar cells. At the beginning of the research, two open questions were raised: the hysteresis effect and the role of chloride. The presence of chloride significantly improves the crystallization and charge transfer property of the perovskite. However, though the long held debate over of the existence of chloride in the perovskite seems to have now come to a conclusion, no prior work has been carried out focusing on the role of chloride on the electronic performance and the crystallization of the perovskite. Furthermore, current reports on the crystal structure of the perovskite are rather confusing. This article analyzes the role of chloride in CH3NH3PbI3-xClx on the crystal orientation and provides a new explanation about the (110-oriented growth of CH3NH3PbI3 and CH3NH3PbI3-xClx.

Electroerosion impulse effect on W single crystal structure

International Nuclear Information System (INIS)

Aleshina, S.A.; Khvostikova, V.D.; Zolotykh, B.N.; Marchuk, A.I.

1977-01-01

The mechanism has been studied of brittle failure of single crystal tungsten on planes of crystallographic orientations [100], [110]; [111] in the process of electro-erosion machining by pulses of energies ranging from 1200 to 5000 μJ and of duration of 1 μs. It is shown that the electro-erosion machining of single crystal tungsten is characterized by the formation of a defect layer with a grid of microcracks which lie at a depth of approximately 80 μm. The appearance and the distribution of cracks on the surface of single crystals depends on the crystallogrpahic orientation

Pair Interaction of Dislocations in Two-Dimensional Crystals

Science.gov (United States)

Eisenmann, C.; Gasser, U.; Keim, P.; Maret, G.; von Grünberg, H. H.

2005-10-01

The pair interaction between crystal dislocations is systematically explored by analyzing particle trajectories of two-dimensional colloidal crystals measured by video microscopy. The resulting pair energies are compared to Monte Carlo data and to predictions derived from the standard Hamiltonian of the elastic theory of dislocations. Good agreement is found with respect to the distance and temperature dependence of the interaction potential, but not regarding the angle dependence where discrete lattice effects become important. Our results on the whole confirm that the dislocation Hamiltonian allows a quantitative understanding of the formation and interaction energies of dislocations in two-dimensional crystals.

Crystals of Janus colloids at various interaction ranges

Energy Technology Data Exchange (ETDEWEB)

Preisler, Z. [Dipartimento di Fisica, Università di Roma “Sapienza,” Piazzale Aldo Moro 5, 00185 Roma (Italy); Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University, Princetonplein 5, 3584 CC Utrecht (Netherlands); Vissers, T. [Dipartimento di Fisica, Università di Roma “Sapienza,” Piazzale Aldo Moro 5, 00185 Roma (Italy); SUPA and School of Physics and Astronomy, The University of Edinburgh, James Clerk Maxwell Building, Peter Guthrie Tait Road, Edinburgh EH9 3FD (United Kingdom); Smallenburg, F. [Dipartimento di Fisica, Università di Roma “Sapienza,” Piazzale Aldo Moro 5, 00185 Roma (Italy); Institut für Theoretische Physik II: Weiche Materie, Heinrich-Heine-Universität Düsseldorf, Universitätsstr. 1, 40225 Düsseldorf (Germany); Sciortino, F. [Dipartimento di Fisica, Università di Roma “Sapienza,” Piazzale Aldo Moro 5, 00185 Roma (Italy)

2016-08-14

We investigate the effect of interaction range on the phase behaviour of Janus particles with a Kern-Frenkel potential. Specifically, we study interaction ranges Δ = 0.1σ, 0.3σ, 0.4σ, 0.5σ with σ the particle diameter, and use variable box shape simulations to predict crystal structures. We found that changing the interaction range beyond 0.2σ drastically increases the variety of possible crystal structures. In addition to close-packed structures, we find body-centered tetragonal and AA-stacked hexagonal crystals, as well as several lamellar crystals. For long interaction ranges and low temperatures, we also observe an extremely large number of metastable structures which compete with the thermodynamically stable ones. These competing structures hinder the detection of the lowest-energy crystal structures, and are also likely to interfere with the spontaneous formation of the ground-state structure. Finally, we determine the gas-liquid coexistence curves for several interaction ranges, and observe that these are metastable with respect to crystallization.

Crystals of Janus colloids at various interaction ranges

International Nuclear Information System (INIS)

Preisler, Z.; Vissers, T.; Smallenburg, F.; Sciortino, F.

2016-01-01

We investigate the effect of interaction range on the phase behaviour of Janus particles with a Kern-Frenkel potential. Specifically, we study interaction ranges Δ = 0.1σ, 0.3σ, 0.4σ, 0.5σ with σ the particle diameter, and use variable box shape simulations to predict crystal structures. We found that changing the interaction range beyond 0.2σ drastically increases the variety of possible crystal structures. In addition to close-packed structures, we find body-centered tetragonal and AA-stacked hexagonal crystals, as well as several lamellar crystals. For long interaction ranges and low temperatures, we also observe an extremely large number of metastable structures which compete with the thermodynamically stable ones. These competing structures hinder the detection of the lowest-energy crystal structures, and are also likely to interfere with the spontaneous formation of the ground-state structure. Finally, we determine the gas-liquid coexistence curves for several interaction ranges, and observe that these are metastable with respect to crystallization.

Coenzyme- and His-tag-induced crystallization of octopine dehydrogenase

International Nuclear Information System (INIS)

Smits, Sander H. J.; Mueller, Andre; Grieshaber, Manfred K.; Schmitt, Lutz

2008-01-01

The crystal structure of octopine dehydrogenase revealed a specific role of the His 5 tag in inducing the crystal contacts required for successful crystallization. Over the last decade, protein purification has become more efficient and standardized through the introduction of affinity tags. The choice and position of the tag, however, can directly influence the process of protein crystallization. Octopine dehydrogenase (OcDH) without a His tag and tagged protein constructs such as OcDH-His 5 and OcDH-LEHis 6 have been investigated for their crystallizability. Only OcDH-His 5 yielded crystals; however, they were multiple. To improve crystal quality, the cofactor NADH was added, resulting in single crystals that were suitable for structure determination. As shown by the structure, the His 5 tag protrudes into the cleft between the NADH and l-arginine-binding domains and is mainly fixed in place by water molecules. The protein is thereby stabilized to such an extent that the formation of crystal contacts can proceed. Together with NADH, the His 5 tag obviously locks the enzyme into a specific conformation which induces crystal growth

Evaluating design-based formative assessment practices in outdoor science teaching

DEFF Research Database (Denmark)

Hartmeyer, Rikke; Stevenson, Matthew Peter; Bentsen, Peter

2016-01-01

Background and purpose: Research in formative assessment often pays close attention to the strategies which can be used by teachers. However, less emphasis in the literature seems to have been paid to study the application of formative assessment designs in practice. In this paper, we argue...... that a formative assessment design that we call Eva-Mapping, which is developed on the principles of design-based research, can be a productive starting point for disseminating and further developing formative assessment practices in outdoor science teaching. Sample, design and methods: We conducted an evaluation...... of the design, based on video-elicited focus group interviews with two groups of experienced science teachers. Both groups consisted of teachers who taught science outside the classroom on a regular basis. These groups watched identical video sequences which were recorded during lessons in which teachers...

Effect of starting point formation on the crystallization of amorphous silicon films by flash lamp annealing

Science.gov (United States)

Sato, Daiki; Ohdaira, Keisuke

2018-04-01

We succeed in the crystallization of hydrogenated amorphous silicon (a-Si:H) films by flash lamp annealing (FLA) at a low fluence by intentionally creating starting points for the trigger of explosive crystallization (EC). We confirm that a partly thick a-Si part can induce the crystallization of a-Si films. A periodic wavy structure is observed on the surface of polycrystalline silicon (poly-Si) on and near the thick parts, which is a clear indication of the emergence of EC. Creating partly thick a-Si parts can thus be effective for the control of the starting point of crystallization by FLA and can realize the crystallization of a-Si with high reproducibility. We also compare the effects of creating thick parts at the center and along the edge of the substrates, and a thick part along the edge of the substrates leads to the initiation of crystallization at a lower fluence.

Low-Field Bi-Skyrmion Formation in a Noncentrosymmetric Chimney Ladder Ferromagnet

Science.gov (United States)

Takagi, R.; Yu, X. Z.; White, J. S.; Shibata, K.; Kaneko, Y.; Tatara, G.; Rønnow, H. M.; Tokura, Y.; Seki, S.

2018-01-01

The real-space spin texture and the relevant magnetic parameters were investigated for an easy-axis noncentrosymmetric ferromagnet Cr11 Ge19 with Nowotny chimney ladder structure. Using Lorentz transmission electron microscopy, we report the formation of bi-Skyrmions, i.e., pairs of spin vortices with opposite magnetic helicities. The quantitative evaluation of the magnetocrystalline anisotropy and Dzyaloshinskii-Moriya interaction (DMI) proves that the magnetic dipolar interaction plays a more important role than the DMI on the observed bi-Skyrmion formation. Notably, the critical magnetic field value required for the formation of bi-Skyrmions turned out to be extremely small in this system, which is ascribed to strong easy-axis anisotropy associated with the characteristic helix crystal structure. The family of Nowotny chimney ladder compounds may offer a unique material platform where two distinctive Skyrmion formation mechanisms favoring different topological spin textures can become simultaneously active.

Monolithic I-Beam Crystal Monochromator

Energy Technology Data Exchange (ETDEWEB)

Bagnasco, John

2001-10-16

Curved crystal, focusing monochromators featuring cubed-root thickness profiles typically employ side-clamped cooling to reduce thermally induced overall bend deformation of the crystal. While performance is improved, residual bend deformation is often an important limiting factor in the monochromator performance. A slightly asymmetric ``I-beam'' crystal cross section with cubed-root flange profiles has been developed to further reduce this effect. Physical motivation, finite-element modeling evaluation and performance characteristics of this design are discussed. Reduction of high mounting stress at the fixed end of the crystal required the soldering of an Invar support fixture to the crystal. Detailed descriptions of this process along with its performance characteristics are also presented.

Analysis of stray grain formation in single crystal CMSX-4 superalloy; Analyse der Bildung von Fehlkoernern in einer einkristallinen CMSX-4-Superlegierung

Energy Technology Data Exchange (ETDEWEB)

Chmiela, Bartosz; Sozanska, Maria; Cwajna, Jan [Silesian Univ. of Technology, Katowice (Poland). Dept. of Materials Science; Szeliga, Dariusz [Rzeszow Univ. of Technology (Poland). Dept. of Materials Science; Jarczyk, Jerzy [ALD Vacuum Technologies, Hanau (Germany)

2013-08-01

Modern single crystal (SX) turbine blades are fabricated by directional solidification using a grain selector. The grain selection process was investigated by numerical simulation and verified by the experiment. A coupled ProCAST and cellular automaton finite element (CAFE) model was used in this study. According to the latest literature data, we designed the grain selector. Simulation confirmed an optimal grain selection efficiency of the applied selector geometry. The obtained experimental results reveal the possibility of stray grain formation in SX castings with a designed selector, in contrast to the simulation results. (orig.)

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.

Algorithmic crystal chemistry: A cellular automata approach

International Nuclear Information System (INIS)

Krivovichev, S. V.

2012-01-01

Atomic-molecular mechanisms of crystal growth can be modeled based on crystallochemical information using cellular automata (a particular case of finite deterministic automata). In particular, the formation of heteropolyhedral layered complexes in uranyl selenates can be modeled applying a one-dimensional three-colored cellular automaton. The use of the theory of calculations (in particular, the theory of automata) in crystallography allows one to interpret crystal growth as a computational process (the realization of an algorithm or program with a finite number of steps).

How Short-Lived Ikaite Affects Calcite Crystallization

OpenAIRE

Besselink, R; Rodriguez-Blanco, JD; Stawski, TM; Benning, LG; Tobler, DJ

2017-01-01

The pathways of CaCO3 crystallization are manifold, often involving one or several metastable amorphous or nanocrystalline intermediate phases. The presence of such intermediates is often overlooked, because they are short-lived and/or occur at small molar fractions. However, their occurrence does not just impact the mechanisms and pathways of formation of the final stable CaCO3 phase, but also affects their crystal size, shape, and structure. Here we document the presence of a short-lived in...

Molecular dynamics studies and quantification of the effect of chirality on the formation of liquid crystal mesophases

International Nuclear Information System (INIS)

Solymosi, Miklos

2002-01-01

Results are presented from theoretical studies and from a series of molecular dynamics simulations undertaken to quantify the effect of chirality on the formation of liquid crystal mesophases. In the theoretical studies we have proposed a scaled chiral index with a formulation which allows comparison to be made between molecules comprising different numbers of atoms. We have undertaken chirality calculations utilizing the proposed scaled chiral index, G 0S , for one optimized static molecular geometry for a range of liquid crystal chiral dopants and ferroelectric liquid crystal molecules. The scaled chiral index, G 0S , allows a rapid calculation to be made of a pseudoscalar quantity which shows a good correlation with the helical twisting power of liquid crystal chiral dopants in a nematic liquid crystal solvent. This could prove a powerful aid in the design of novel dopant molecules where the dopant is rigid and the helical twisting is predominantly a steric effect. The same scaled chirality index, G 0S , calculation for ferroelectric liquid crystal molecules hints at an inverse correlation with spontaneous polarization agreeing with some experimental results. The scaled chiral index is a chemically useful index that can also be decomposed into atomic or functional group contributions, thereby creating a new measure of the asymmetric potential of functional groups and their different possible substitution positions. In the molecular dynamics simulation studies we have investigated two three-site Gay-Berne models, one chiral and the other achiral, each with a rotated central site forming a zigzag shape. In the chiral model one of the end site was additionally rotated out of the plane of the other two sites by a chiral angle θ c . Results from the achiral phase simulations support the theory that steric molecular shape can be associated with a driving force that leads to the smectic A - smectic C phase transition since such a transition was observed in the achiral

Influence of polymeric excipient properties on crystal hydrate formation kinetics of caffeine in aqueous slurries.

Science.gov (United States)

Gift, Alan D; Southard, Leslie A; Riesberg, Amanda L

2012-05-01

The influence of polymeric excipients on the hydrate transformation of caffeine (CAF) was studied. Anhydrous CAF was added to aqueous solutions containing different additives and the transformation to the hydrate form was monitored using in-line Raman spectroscopy. Various properties of two known inhibitors of CAF hydrate formation, polyacrylic acid (PAA) and polyvinyl alcohol (PVA), were investigated. For inhibition by PAA, a pH dependence was observed: at low pH, the inhibition was greatest, whereas no inhibitory effects were observed at pH above 6.5. For PVA, grades with high percent hydrolysis were the most effective at inhibiting the transformation. In addition, PVA with higher molecular weight showed slightly more inhibition than the shorter chain PVA polymers. A variety of other hydroxyl containing compounds were examined but none inhibited the CAF anhydrate-to-hydrate transformation. The observed inhibitory effects of PAA and PVA are attributed to the large number of closely spaced hydrogen bond donating groups of the polymer molecule, which can interact with the CAF hydrate crystal. Copyright © 2012 Wiley Periodicals, Inc.

Crystallization Kinetics of Organic–Inorganic Trihalide Perovskites and the Role of the Lead Anion in Crystal Growth

KAUST Repository

Moore, David T.

2015-02-18

© 2015 American Chemical Society. Methylammonium lead halide perovskite solar cells continue to excite the research community due to their rapidly increasing performance which, in large part, is due to improvements in film morphology. The next step in this progression is control of the crystal morphology which requires a better fundamental understanding of the crystal growth. In this study we use in situ X-ray scattering data to study isothermal transformations of perovskite films derived from chloride, iodide, nitrate, and acetate lead salts. Using established models we determine the activation energy for crystallization and find that it changes as a function of the lead salt. Further analysis enabled determination of the precursor composition and showed that the primary step in perovskite formation is removal of excess organic salt from the precursor. This understanding suggests that careful choice of the lead salt will aid in controlling crystal growth, leading to superior films and better performing solar cells.

Transformed model fitting. A straightforward approach to evaluation of anisotropic SANS from nickel-base single-crystal superalloys

International Nuclear Information System (INIS)

Strunz, P.

1999-01-01

Schematic description of a special evaluation procedure for data treatment of anisotropic Small-Angle Neutron Scattering (SANS) is presented. The use of the discussed procedure is demonstrated on a data taken from investigation of precipitation in single-crystal nickel-base superalloys. (author)

Single-crystal growth of ceria-based materials

International Nuclear Information System (INIS)

Ulbrich, Gregor

2015-01-01

In this work it could be shown that Skull-Melting is a suitable method for growing ceria single crystals. Twenty different ceria-based single crystals could be manufactured. It was possible to dope ceria single crystals with Gd, Sm, Y, Zr, Ti, Ta, and Pr in different concentrations. Also co-doping with the named metals was realized. However, there remain some problems for growing ceria-based single crystals by Skull-Melting. As ignition metal zirconium was used because no ceria-based material works well. For that reason all single crystals show small zirconium contamination. Another problem is the formation of oxygen by the heat-induced reduction of ceria during the melting process. Because of that the skull of sintered material is often destroyed by gas pressure. This problem had to be solved individually for every single crystal. The obtained single crystals were characterized using different methods. To ensure the single crystal character the y were examined by Laue diffraction. All manufactured crystals are single crystals. Also powder diffraction patterns of the milled and oxidized samples were measured. For the determination of symmetry and metric the structural parameters were analyzed by the Rietveld method. All synthesized materials crystallize in space group Fm-3m known from calcium fluoride. The cubic lattice parameter a was determined for all crystals. In the case of series with different cerium and zirconium concentrations a linear correlation between cerium content and cubic lattice parameter was detected. The elemental composition was determined by WDX. All crystals show a homogeneous elemental distribution. The oxygen content was calculated because the WDX method isn't useful for determination.

A method to evaluate the effect of contact with excipients on the surface crystallization of amorphous drugs.

Science.gov (United States)

Zhang, Si-Wei; Yu, Lian; Huang, Jun; Hussain, Munir A; Derdour, Lotfi; Qian, Feng; de Villiers, Melgardt M

2014-12-01

Amorphous drugs are used to improve the solubility, dissolution, and bioavailability of drugs. However, these metastable forms of drugs can transform into more stable, less soluble, crystalline counterparts. This study reports a method for evaluating the effect of commonly used excipients on the surface crystallization of amorphous drugs and its application to two model amorphous compounds, nifedipine and indomethacin. In this method, amorphous samples of the drugs were covered by excipients and stored in controlled environments. An inverted light microscope was used to measure in real time the rates of surface crystal nucleation and growth. For nifedipine, vacuum-dried microcrystalline cellulose and lactose monohydrate increased the nucleation rate of the β polymorph from two to five times when samples were stored in a desiccator, while D-mannitol and magnesium stearate increased the nucleation rate 50 times. At 50% relative humidity, the nucleation rates were further increased, suggesting that moisture played an important role in the crystallization caused by the excipients. The effect of excipients on the crystal growth rate was not significant, suggesting that contact with excipients influences the physical stability of amorphous nifedipine mainly through the effect on crystal nucleation. This effect seems to be drug specific because for two polymorphs of indomethacin, no significant change in the nucleation rate was observed under the excipients.

Modeling Tools for Drilling, Reservoir Navigation, and Formation Evaluation

Directory of Open Access Journals (Sweden)

Sushant Dutta

2012-06-01

Full Text Available The oil and gas industry routinely uses borehole tools for measuring or logging rock and fluid properties of geologic formations to locate hydrocarbons and maximize their production. Pore fluids in formations of interest are usually hydrocarbons or water. Resistivity logging is based on the fact that oil and gas have a substantially higher resistivity than water. The first resistivity log was acquired in 1927, and resistivity logging is still the foremost measurement used for drilling and evaluation. However, the acquisition and interpretation of resistivity logging data has grown in complexity over the years. Resistivity logging tools operate in a wide range of frequencies (from DC to GHz and encounter extremely high (several orders of magnitude conductivity contrast between the metal mandrel of the tool and the geologic formation. Typical challenges include arbitrary angles of tool inclination, full tensor electric and magnetic field measurements, and interpretation of complicated anisotropic formation properties. These challenges combine to form some of the most intractable computational electromagnetic problems in the world. Reliable, fast, and convenient numerical modeling of logging tool responses is critical for tool design, sensor optimization, virtual prototyping, and log data inversion. This spectrum of applications necessitates both depth and breadth of modeling software—from blazing fast one-dimensional (1-D modeling codes to advanced threedimensional (3-D modeling software, and from in-house developed codes to commercial modeling packages. In this paper, with the help of several examples, we demonstrate our approach for using different modeling software to address different drilling and evaluation applications. In one example, fast 1-D modeling provides proactive geosteering information from a deep-reading azimuthal propagation resistivity measurement. In the second example, a 3-D model with multiple vertical resistive fractures

Quasi-ideal strontium titanate crystal surfaces through formation of stontium hydroxide

NARCIS (Netherlands)

Koster, Gertjan; Kropman, B.L.; Rijnders, Augustinus J.H.M.; Blank, David H.A.; Rogalla, Horst

1998-01-01

In recent years, well-defined and nearly perfect single crystal surfaces of oxide perovskites have become increasingly important. A single terminated surface is a prerequisite for reproducible thin film growth and fundamental growth studies. In this work, atomic and lateral force microscopy have

MARKETING STRATEGY OF THE UNIVERSITY: FORMATION AND ITS EFFECTIVENESS EVALUATION REALIZATION

Directory of Open Access Journals (Sweden)

Natalia К. Shemetova

2015-01-01

Full Text Available The study is aimed at developing an algorithm of formation of university’s marketing strategy and the development of evaluating methods of its effectiveness realization. Despite the competitive expansion of the educational services market and the transition to a system of university self-financing, researchers have not paid due attention to the process of developing the marketing strategy of the university and the evaluation of its effectiveness yet. Methods. The applied methods include the method of general systems theory, and the complex of specialized marketing tools (PEST-, SNWand SWOT-analysis. Results. The algorithm of university’s marketing strategy formation and methodology for its effectiveness assessing is given in five fields: economic, informational, social, integration, and demand stage. The set of criteria is worked out for every field listed above. The author has developed a formula for determining the total indicator or general index of the effectiveness of university’s marketing strategy. Scientific novelty. The prospects of using the algorithm of formation of university’s marketing strategy and the system of monitoring and evaluating the effectiveness of marketing in higher vocational education was proved and evaluated by the author in the Ural Institute of Management of RANEPA. Practical significance. The research results can be used by the experts in the field of management of the higher educational institutions, and also as teaching materials while preparing the experts in marketing. 

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.

Photonic crystals, amorphous materials, and quasicrystals.

Science.gov (United States)

Edagawa, Keiichi

2014-06-01

Photonic crystals consist of artificial periodic structures of dielectrics, which have attracted much attention because of their wide range of potential applications in the field of optics. We may also fabricate artificial amorphous or quasicrystalline structures of dielectrics, i.e. photonic amorphous materials or photonic quasicrystals. So far, both theoretical and experimental studies have been conducted to reveal the characteristic features of their optical properties, as compared with those of conventional photonic crystals. In this article, we review these studies and discuss various aspects of photonic amorphous materials and photonic quasicrystals, including photonic band gap formation, light propagation properties, and characteristic photonic states.

Unidirectional Wave Propagation in Low-Symmetric Colloidal Photonic-Crystal Heterostructures

Directory of Open Access Journals (Sweden)

Vassilios Yannopapas

2015-03-01

Full Text Available We show theoretically that photonic crystals consisting of colloidal spheres exhibit unidirectional wave propagation and one-way frequency band gaps without breaking time-reversal symmetry via, e.g., the application of an external magnetic field or the use of nonlinear materials. Namely, photonic crystals with low symmetry such as the monoclinic crystal type considered here as well as with unit cells formed by the heterostructure of different photonic crystals show significant unidirectional electromagnetic response. In particular, we show that the use of scatterers with low refractive-index contrast favors the formation of unidirectional frequency gaps which is the optimal route for achieving unidirectional wave propagation.

Unidirectional Wave Propagation in Low-Symmetric Colloidal Photonic-Crystal Heterostructures.

Science.gov (United States)

Yannopapas, Vassilios

2015-03-19

We show theoretically that photonic crystals consisting of colloidal spheres exhibit unidirectional wave propagation and one-way frequency band gaps without breaking time-reversal symmetry via, e.g., the application of an external magnetic field or the use of nonlinear materials. Namely, photonic crystals with low symmetry such as the monoclinic crystal type considered here as well as with unit cells formed by the heterostructure of different photonic crystals show significant unidirectional electromagnetic response. In particular, we show that the use of scatterers with low refractive-index contrast favors the formation of unidirectional frequency gaps which is the optimal route for achieving unidirectional wave propagation.

Impact of interaction range and curvature on crystal growth of particles confined to spherical surfaces

Science.gov (United States)

Paquay, Stefan; Both, Gert-Jan; van der Schoot, Paul

2017-07-01

When colloidal particles form a crystal phase on a spherical template, their packing is governed by the effective interaction between them and the elastic strain of bending the growing crystal. For example, if growth commences under appropriate conditions, and the isotropic crystal that forms reaches a critical size, growth continues via the incorporation of defects to alleviate elastic strain. Recently, it was experimentally found that, if defect formation is somehow not possible, the crystal instead continues growing in ribbons that protrude from the original crystal. Here we report on computer simulations in which we observe both the formation of ribbons at short interaction ranges and packings that incorporate defects if the interaction is longer-ranged. The ribbons only form above some critical crystal size, below which the nucleus is disk-shaped. We find that the scaling of the critical crystal size differs slightly from the one proposed in the literature, and we argue that this is because the actual morphology transition is caused by the competition between line tension and elastic stress, rather than the competition between chemical potential and elastic stress.

New developments in flexible cholesteric liquid crystal displays

Science.gov (United States)

Schneider, Tod; Davis, Donald J.; Franklin, Sean; Venkataraman, Nithya; McDaniel, Diaz; Nicholson, Forrest; Montbach, Erica; Khan, Asad; Doane, J. William

2007-02-01

Flexible Cholesteric liquid crystal displays have been rapidly maturing into a strong contender in the flexible display market. Encapsulation of the Cholesteric liquid crystal permits the use of flexible plastic substrates and roll-to-roll production. Recent advances include ultra-thin displays, laser-cut segmented displays of variable geometry, and smart card applications. Exciting technologies such as simultaneous laser-edge sealing and singulation enable high volume production, excellent quality control and non-traditional display geometries and formats.

Correlation between hierarchical structure of crystal networks and macroscopic performance of mesoscopic soft materials and engineering principles.

Science.gov (United States)

Lin, Naibo; Liu, Xiang Yang

2015-11-07

This review examines how the concepts and ideas of crystallization can be extended further and applied to the field of mesoscopic soft materials. It concerns the structural characteristics vs. the macroscopic performance, and the formation mechanism of crystal networks. Although this subject can be discussed in a broad sense across the area of mesoscopic soft materials, our main focus is on supramolecular materials, spider and silkworm silks, and biominerals. First, the occurrence of a hierarchical structure, i.e. crystal network and domain network structures, will facilitate the formation kinetics of mesoscopic phases and boost up the macroscopic performance of materials in some cases (i.e. spider silk fibres). Second, the structure and performance of materials can be correlated in some way by the four factors: topology, correlation length, symmetry/ordering, and strength of association of crystal networks. Moreover, four different kinetic paths of crystal network formation are identified, namely, one-step process of assembly, two-step process of assembly, mixed mode of assembly and foreign molecule mediated assembly. Based on the basic mechanisms of crystal nucleation and growth, the formation of crystal networks, such as crystallographic mismatch (or noncrystallographic) branching (tip branching and fibre side branching) and fibre/polymeric side merging, are reviewed. This facilitates the rational design and construction of crystal networks in supramolecular materials. In this context, the (re-)construction of a hierarchical crystal network structure can be implemented by thermal, precipitate, chemical, and sonication stimuli. As another important class of soft materials, the unusual mechanical performance of spider and silkworm silk fibres are reviewed in comparison with the regenerated silk protein derivatives. It follows that the considerably larger breaking stress and unusual breaking strain of spider silk fibres vs. silkworm silk fibres can be interpreted

Development of high-performance X-ray transparent crystallization plates for in situ protein crystal screening and analysis

Energy Technology Data Exchange (ETDEWEB)

Soliman, Ahmed S. M.; Warkentin, Matthew [Cornell University, Ithaca, New York (United States); Apker, Benjamin [MiTeGen LLC, Ithaca, New York (United States); Thorne, Robert E., E-mail: ret6@cornell.edu [Cornell University, Ithaca, New York (United States); MiTeGen LLC, Ithaca, New York (United States)

2011-07-01

An optically, UV and X-ray transparent crystallization plate suitable for in situ analysis has been developed. The plate uses contact line pinning rather than wells to confine the liquids. X-ray transparent crystallization plates based upon a novel drop-pinning technology provide a flexible, simple and inexpensive approach to protein crystallization and screening. The plates consist of open cells sealed top and bottom by thin optically, UV and X-ray transparent films. The plates do not need wells or depressions to contain liquids. Instead, protein drops and reservoir solution are held in place by rings with micrometre dimensions that are patterned onto the bottom film. These rings strongly pin the liquid contact lines, thereby improving drop shape and position uniformity, and thus crystallization reproducibility, and simplifying automated image analysis of drop contents. The same rings effectively pin solutions containing salts, proteins, cryoprotectants, oils, alcohols and detergents. Strong pinning by rings allows the plates to be rotated without liquid mixing to 90° for X-ray data collection or to be inverted for hanging-drop crystallization. The plates have the standard SBS format and are compatible with standard liquid-handling robots.

Program PLOTC4 (Version 86-1). Plot evaluated data from the ENDF/B format and/or experimental data which is in a computation format

International Nuclear Information System (INIS)

Cullen, D.E.

1986-09-01

Experimental and evaluated nuclear reaction data are world-wide compiled in EXFOR format and ENDF format, respectively. The computer program PLOTC4 described in the present document plots data from both formats; EXFOR data must be converted first to a ''computation format''. The program is available costfree from the IAEA Nuclear Data Section, upon request. (author)

Formation and crystallization kinetics of Nd-Fe-B-based bulk amorphous alloy

Energy Technology Data Exchange (ETDEWEB)

Wu, Qiong; Ge, Hongliang; Zhang, Pengyue; Li, Dongyun; Wang, Zisheng [China Jiliang University, Magnetism Key Laboratory of Zhejiang Province, Hangzhou (China)

2014-06-15

In order to improve the glass-forming ability (GFA) of Nd-Fe-B ternary alloys to obtain fully amorphous bulk Nd-Fe-B-based alloy, the effects of Mo and Y doping on GFA of the alloys were investigated. It was found that the substitution of Mo for Fe and Y for Nd enhanced the GFA of the Nd-Y-Fe-Mo-B alloys. It was also revealed that the GFA of the samples was optimized by 4 at.% Mo doping and increased with theYcontent. The fully amorphous structures were all formed in the Nd{sub 6-x}Y{sub x}Fe{sub 68}Mo{sub 4}B{sub 22} (x =1-5) alloy rods with 1.5 mm-diameter. After subsequent crystallization, the devitrified Nd{sub 3}Y{sub 3}Fe{sub 68}Mo{sub 4}B{sub 22} alloy rod exhibited a uniform distribution of grains with a coercivity of 364.1 kA/m. The crystallization behavior of Nd{sub 3}Y{sub 3}Fe{sub 68}Mo{sub 4}B{sub 22} BMG was investigated in isothermal situation. The Avrami exponent n determined by JAM plot is lower than 2.5, implying that the crystallization is mainly governed by a growth of particles with decreasing nucleation rate. (orig.)

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

Photonics of liquid-crystal structures: A review

Energy Technology Data Exchange (ETDEWEB)

Palto, S. P., E-mail: palto@online.ru; Blinov, L M; Barnik, M I; Lazarev, V V; Umanskii, B A; Shtykov, N M [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)

2011-07-15

The original results of studies of the electro-optical and laser effects which have been performed at the Laboratory of Liquid Crystals of the Institute of Crystallography, Russian Academy of Sciences, over the last few years are reviewed. Cholesteric liquid crystals as vivid representatives of photonic structures and their behavior in an electric field are considered in detail. The formation of higher harmonics in the periodic distribution of the director field in a helical liquid crystal structure and, correspondingly, the new (anharmonic) mode of electro-optical effects are discussed. Another group of studies is devoted to bistable light switching by an electric field in chiral nematics. Polarization diffraction gratings controlled by an electric field are also considered. The results of studies devoted to microlasers on various photonic structures with cholesteric and nematic liquid crystals are considered in detail. Particular attention is given to the new regime: leaky-mode lasing. Designs of liquid crystal light amplifiers and their polarization, field, and spectral characteristics are considered in the last section.

Static and dynamic properties of three-dimensional dot-type magnonic crystals

International Nuclear Information System (INIS)

Maksymov, Artur; Spinu, Leonard

2016-01-01

The static and dynamic magnetization of three-dimensional magnonic metamaterials has been investigated. By numerical means it was analyzed the impact of space dimensionality on the properties of magnonic crystal with unit cell consisting of four dots. It is find out the possibility of multi-vortex core formation which is related to the increasing of the crystal height by three-dimensional periodicity of single crystal layer. Additionally is provided the analysis of ferromagnetic resonance phenomenon for two-dimensional and three-dimensional structures. For the unsaturated magnetization of three-dimensional crystal the several pronounced resonance frequencies were detected.

Static and dynamic properties of three-dimensional dot-type magnonic crystals

Energy Technology Data Exchange (ETDEWEB)

Maksymov, Artur, E-mail: maxyartur@gmail.com [Advanced Materials Research Institute, University of New Orleans, LA 70148 (United States); Department of General Physics, Chernivtsi National University, Chernivtsi 58012 (Ukraine); Spinu, Leonard [Advanced Materials Research Institute, University of New Orleans, LA 70148 (United States); Department of Physics, University of New Orleans, New Orleans, LA 70148 (United States)

2016-04-01

The static and dynamic magnetization of three-dimensional magnonic metamaterials has been investigated. By numerical means it was analyzed the impact of space dimensionality on the properties of magnonic crystal with unit cell consisting of four dots. It is find out the possibility of multi-vortex core formation which is related to the increasing of the crystal height by three-dimensional periodicity of single crystal layer. Additionally is provided the analysis of ferromagnetic resonance phenomenon for two-dimensional and three-dimensional structures. For the unsaturated magnetization of three-dimensional crystal the several pronounced resonance frequencies were detected.

A study of the crystallization of ZrO

International Nuclear Information System (INIS)

Aguilar, D. H.; Torres-Gonzalez, L. C.; Torres-Martinez, L. M.; Lopez, T.; Quintana, P.

2001-01-01

ZrO(sub 2)-SiO(sub 2) sol-gel powders were produced using tetraethoxysilane (TEOS) and zirconium propoxide. After gellation, the ZrO(sub 2) crystallization process was investigated using X-ray diffraction (XRD), thermal analysis (DTA/TGA), and scanning electron microscopy (SEM). Fresh gels were amorphous. Thermal treatments were carried out from 100 to 1400 C for a total annealing time of 182 h. Tetragonal zirconia, (Z(t)) was the first phase to crystallize, between 300 and 500 C. Crystallization temperature was lower for zirconia-rich compositions, increasing as silica content was raised. DTA analysis showed that Z(t) crystallization occurred in two stages. Complete tetragonal-monoclinic zirconia transformation occurred near 1000 C, and was clearly observed only in ZrO(sub 2)-rich compositions ( and gt;80%). Silica remains amorphous until 1200 C, when ZrSiO(sub 4) formation took place. A metastable sol-gel phase diagram was proposed to show the crystallization process between 100 and 1400 C

Effects of magnetic pre-alignment of nano-powders on formation of high textured barium hexa-ferrite quasi-single crystals via a magnetic forming and liquid participation sintering route

International Nuclear Information System (INIS)

Liu, Junliang; Zeng, Yanwei; Zhang, Xingkai; Zhang, Ming

2015-01-01

Highly textured barium hexa-ferrite quasi-single crystal with narrow ferromagnetic resonance line-width is believed to be a potential gyromagnetic material for self-biased microwave devices. To fabricate barium hexa-ferrite quasi-single crystal with a high grain orientation degree, a magnetic forming and liquid participation sintering route has been developed. In this paper, the effects of the pre-alignment of the starting nano-powders on the formation of barium quasi-single crystal structures have been investigated. The results indicated that: the crystallites with large sizes and small specific surfaces were easily aligned for they got higher driving forces and lower resistances during magnetic forming. The average restricting magnetic field was about 4.647 kOe to overcome the average friction barrier between crystallites. The pre-aligned crystallites in magnetic forming acted as the “crystal seeds” for oriented growth of the un-aligned crystallites during liquid participation sintering to achieve a high grain orientation. To effectively promote the grain orientation degrees of the sintered pellets, the grain orientation degrees of the green compacts must be higher than a limited value of 15.0%. Barium hexa-ferrite quasi-single crystal with a high grain orientation degree of 98.6% was successfully fabricated after sintering the green compact with its grain orientation degree of 51.1%. - Highlights: • Aligned particles acted as “crystal seeds” for un-aligned ones' oriented growth. • Magnetic field of 4.647 kOe was needed to overcome crystallites' friction barrier. • GOD dramatically increased after sintering if starting GOD exceeded to 15.0%. • Quasi-single crystal was prepared by sintering green compact with GOD of 51.1%

Effects of magnetic pre-alignment of nano-powders on formation of high textured barium hexa-ferrite quasi-single crystals via a magnetic forming and liquid participation sintering route

Energy Technology Data Exchange (ETDEWEB)

Liu, Junliang, E-mail: liujunliang@yzu.edu.cn [Key Laboratory of Environmental Materials and Engineering of Jiangsu Province, School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002 (China); Zeng, Yanwei [State Key Laboratory of Materials-Oriented Chemical Engineering, School of Materials Science and Engineering, Nanjing Tech University, Nanjing 210009 (China); Zhang, Xingkai [Key Laboratory of Environmental Materials and Engineering of Jiangsu Province, School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002 (China); Zhang, Ming [Key Laboratory of Environmental Materials and Engineering of Jiangsu Province, School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002 (China); Testing Center of Yangzhou University, Yangzhou 225002 (China)

2015-05-15

Highly textured barium hexa-ferrite quasi-single crystal with narrow ferromagnetic resonance line-width is believed to be a potential gyromagnetic material for self-biased microwave devices. To fabricate barium hexa-ferrite quasi-single crystal with a high grain orientation degree, a magnetic forming and liquid participation sintering route has been developed. In this paper, the effects of the pre-alignment of the starting nano-powders on the formation of barium quasi-single crystal structures have been investigated. The results indicated that: the crystallites with large sizes and small specific surfaces were easily aligned for they got higher driving forces and lower resistances during magnetic forming. The average restricting magnetic field was about 4.647 kOe to overcome the average friction barrier between crystallites. The pre-aligned crystallites in magnetic forming acted as the “crystal seeds” for oriented growth of the un-aligned crystallites during liquid participation sintering to achieve a high grain orientation. To effectively promote the grain orientation degrees of the sintered pellets, the grain orientation degrees of the green compacts must be higher than a limited value of 15.0%. Barium hexa-ferrite quasi-single crystal with a high grain orientation degree of 98.6% was successfully fabricated after sintering the green compact with its grain orientation degree of 51.1%. - Highlights: • Aligned particles acted as “crystal seeds” for un-aligned ones' oriented growth. • Magnetic field of 4.647 kOe was needed to overcome crystallites' friction barrier. • GOD dramatically increased after sintering if starting GOD exceeded to 15.0%. • Quasi-single crystal was prepared by sintering green compact with GOD of 51.1%.

Development and Stability Evaluation of Liquid Crystal-Based Formulations Containing Glycolic Plant Extracts and Nano-Actives

Directory of Open Access Journals (Sweden)

Andreza Rodrigues Ueoka

2018-03-01

Full Text Available Emulsions are of great use in cosmetic formulations due to their stability. The aim of this work was to develop and assess organoleptic, physicochemical, and microscopic properties of four auto-emulsifiable oil-in-water formulations. Such formulations were developed containing 4.0% cetearyl alcohol, dicetyl phosphate, and ceteth-10 phosphate (Formulation A, nano-actives obtained from safflower, coconut, and clove oils (Formulation B; a mixture of glycolic extracts from Centella asiatica leaves, Aesculus hippocastanum seeds, and Hamamelis virginiana leaves (Formulation C; association between the nano-actives and glycolic extracts described above (Formulation D. The formulations were trialed for 90 days under the normal stability test. The developed formulations were considered all stable and homogeneous, with liquid crystals possibly being formed. Organoleptic parameters and pH of Formulations A and B remained unchanged, but the color of Formulations C and D changed due to the natural color of the glycolic extracts used. It can be concluded that the formation of liquid crystals increased the stability of the formulations, and future tests should be carried out in order to assess the rheological properties and hydration potential of the developed formulations.

Coefficients of sliding friction of single crystals of high explosives under different rubbing conditions

International Nuclear Information System (INIS)

Wu, Y Q; Chaudhri, M Munawar

2013-01-01

The coefficients of sliding friction of single crystals of commonly used high explosives pentaerythritol tetranitrate (PETN), cyclotrimethylene trinitramine (RDX) and beta-cyclotetramethylene tetranitramine (β-HMX) under several rubbing configurations and at a relative sliding speed of 0.22 mm s -1 were measured. The sliding configurations were (1) crystal-polished steel pairs, (2) like-crystal pairs and (3) unlike-crystal pairs. For every rubbing configuration the friction force showed oscillations, which are thought to be caused by the formation and shearing of the adhesive junctions formed at the surface of the rubbing crystals. This shearing of the adhesive junctions led to the formation of microscopic and sub-microscopic particles, which were confirmed by an environmental scanning electron microscope study. For every rubbing configuration and for relatively high normal loads pressing the rubbing crystals together, the coefficient of friction was generally in the range 0.2-0.25 and it has been concluded that the coefficient of friction is controlled by the adhesion with almost negligible contribution from the ploughing component. From a knowledge of the coefficient of friction and the uniaxial yield stress values of single crystals of RDX and β-HMX, the shear strength of these crystals were determined to be ∼13.4 MPa and ∼16.8 MPa, respectively.

Pilot implementation Driven by Effects Specifications and Formative Usability Evaluation

DEFF Research Database (Denmark)

Barlach, Anders; Hertzum, Morten; Simonsen, Jesper

2013-01-01

This chapter reports on the usability-engineering work performed throughout the pilot implementation of an Electronic Healthcare Record (EHR). The case describes and analyzes the use of pilot implementations to formatively evaluate whether the usability of the EHR meets the effects specified for ...

Crystallization of DNA-coated colloids

Science.gov (United States)

Wang, Yu; Wang, Yufeng; Zheng, Xiaolong; Ducrot, Étienne; Yodh, Jeremy S.; Weck, Marcus; Pine, David J.

2015-01-01

DNA-coated colloids hold great promise for self-assembly of programmed heterogeneous microstructures, provided they not only bind when cooled below their melting temperature, but also rearrange so that aggregated particles can anneal into the structure that minimizes the free energy. Unfortunately, DNA-coated colloids generally collide and stick forming kinetically arrested random aggregates when the thickness of the DNA coating is much smaller than the particles. Here we report DNA-coated colloids that can rearrange and anneal, thus enabling the growth of large colloidal crystals from a wide range of micrometre-sized DNA-coated colloids for the first time. The kinetics of aggregation, crystallization and defect formation are followed in real time. The crystallization rate exhibits the familiar maximum for intermediate temperature quenches observed in metallic alloys, but over a temperature range smaller by two orders of magnitude, owing to the highly temperature-sensitive diffusion between aggregated DNA-coated colloids. PMID:26078020

A critical discussion of the vacancy diffusion model of ion beam induced epitaxial crystallization

International Nuclear Information System (INIS)

Heera, V.

1989-01-01

A simple vacancy diffusion model of ion beam induced epitaxial crystallization of silicon including divacancy formation is developed. The model reproduces some of the experimental findings, as e.g. the dose rate dependence of the crystallization rate. However, the measured activation energy of the ion beam induced epitaxial crystallization cannot be accounted for by vacancy diffusion alone. (author)

Synergistic effect on biofilm formation between Fusobacterium nucleatum and Capnocytophaga ochracea.

Science.gov (United States)

Okuda, Tamaki; Okuda, Katsuji; Kokubu, Eitoyo; Kawana, Tomoko; Saito, Atsushi; Ishihara, Kazuyuki

2012-02-01

The formation of dental plaque biofilm by specific Gram-negative rods and spirochetes plays an important role in the development of periodontal disease. The aim of this study was to characterize biofilm formation by Fusobacterium nucleatum and Capnocytophaga ochracea. Coaggregation between F. nucleatum and Capnocytophaga species was determined by visual assay. Biofilm formation was assessed by crystal violet staining. Enhancement of biofilm formation by F. nucleatum via soluble factor of C. ochracea was evaluated by addition of culture supernatant and a two-compartment separated co-culture system. Production of autoinducer-2 by the tested organisms was evaluated using Vibrio harveyi BB170. F. nucleatum strains coaggregated with C. ochracea ATCC 33596 or ONO-26 strains. Ethylenediamine tetraacetic acid, N-acetyl-d-galactosamine or lysine inhibited coaggregation. Heating or proteinase K treatment of F. nucleatum cells affected coaggregation, whereas the same treatment of C. ochracea cells did not. Co-culture of F. nucleatum with C. ochracea in the same well resulted in a statistically significant increase in biofilm formation. Enhancement of F. nucleatum biofilm formation by a soluble component of C. ochracea was observed using the two-compartment co-culture system (P culture supernatant of C. ochracea (P < 0.01). The present findings indicate that induction of coaggregation and intracellular interaction by release of a diffusible molecule by C. ochracea play a significant role in the formation of biofilm by F. nucleatum and C. ochracea. Copyright © 2012 Elsevier Ltd. All rights reserved.

Investigation of lactose crystallization process during condensed milk cooling using native vacuum-crystallizer

Directory of Open Access Journals (Sweden)

E. I. Dobriyan

2016-01-01

Full Text Available One of the most general defects of condensed milk with sugar is its consistency heterogeneity – “candying”. The mentioned defect is conditioned by the presence of lactose big crystals in the product. Lactose crystals size up to 10 µm is not organoleptically felt. The bigger crystals impart heterogeneity to the consistency which can be evaluated as “floury”, “sandy”, “crunch on tooth”. Big crystals form crystalline deposit on the can or industrial package bottom in the form of thick layer. Industrial processing of the product with the defective process of crystallization results in the expensive equipment damage of the equipment at the confectionary plant accompanied with heavy losses. One of the factors influencing significantly lactose crystallization is the product cooling rate. Vacuum cooling is the necessary condition for provision of the product consistency homogeneity. For this purpose the vacuum crystallizers of “Vigand” company, Germany, are used. But their production in the last years has been stopped. All-Russian dairy research institute has developed “The references for development of the native vacuum crystallizer” according to which the industrial model has been manufactured. The produced vacuum – crystallizer test on the line for condensed milk with sugar production showed that the product cooling on the native vacuum-crystallizer guarantees production of the finished product with microstructure meeting the requirements of State standard 53436–2009 “Canned Milk. Milk and condensed cream with sugar”. The carried out investigations evidences that the average lactose crystals size in the condensed milk with sugar cooled at the native crystallizer makes up 6,78 µm. The granulometric composition of the product crystalline phase cooled at the newly developed vacuum-crystallizer is completely identical to granulometric composition of the product cooled at “Vigand” vacuum-crystallizer.

Adherence of urease-induced crystals to rat bladder epithelium.

Science.gov (United States)

Grenabo, L; Hedelin, H; Pettersson, S

1988-01-01

Apart from urine supersaturation with respect to struvite and calcium phosphate caused by urease-producing microorganisms, retention of formed crystals in the urinary tract is necessary for the formation of infection stones. This study was performed to investigate the role of the mucous coat lining the urothelium in the adhesion of urease-induced crystals. Removal of this glycosaminoglycan-containing layer from rat bladders increased the adherence of struvite and calcium phosphate crystals 5-6 times compared to that in intact rat bladders. Heparin completely restored the antiadherence capacity while chondroitin sulphate had a very weak restorative effect and human urine had no restorative effect. These findings support the view that the mucous coat is of importance in preventing retention of urease-induced crystals.

Substructure formation in iron-nickel monocrystals at cellular growth

International Nuclear Information System (INIS)

Agapova, E.V.; Tagirova, D.M.

1984-01-01

Substructural perfection of Fe-31 wt.% Ni alloy crystals prepared by the Bridgeman method is investigated. Characteristics of banded and cellular structures at different morphology of crystallization front corresponding to the rates of growth (7.0-24.7)x10 -4 cm/s are determined. Position of disorientation axis of banded fragments is shown to depend on orientation of a groWing crystal and its strong fragmentation results in formation of finer cellular structure

Antisolvent crystallization of a cardiotonic drug in ionic liquids: Effect of mixing on the crystal properties

Science.gov (United States)

de Azevedo Jacqueline, Resende; Fabienne, Espitalier; Jean-Jacques, Letourneau; Inês, Ré Maria

2017-08-01

LASSBio-294 (3,4-methylenedioxybenzoyl-2-thienylhydrazon) is a poorly soluble drug which has been proposed to have major advantages over other cardiotonic drugs. Poorly water soluble drugs present limited bioavailability due to their low solubility and dissolution rate. An antisolvent crystallization processing can improve the dissolution rate by decreasing the crystals particle size. However, LASSBio-294 is also poorly soluble in organic solvents and this operation is limited. In order to open new perspectives to improve dissolution rate, this work has investigated LASSBio-294 in terms of its antisolvent crystallization in 1-ethyl-3-methylimidazolium methyl phosphonate [emim][CH3O(H)PO2] as solvent and water as antisolvent. Two modes of mixing are tested in stirred vessel with different pre-mixers (Roughton or T-mixers) in order to investigate the mixing effect on the crystal properties (crystalline structure, particle size distribution, residual solvent and in vitro dissolution rate). Smaller drug particles with unchanged crystalline structure were obtained. Despite the decrease of the elementary particles size, the recrystallized particles did not achieve a better dissolution profile. However, this study was able to highlight a certain number of findings such as the impact of the hydrodynamic conditions on the crystals formation and the presence of a gel phase limiting the dissolution rate.

Discontinuous phase formation and selective attack of SiC materials exposed to low oxygen partial pressure environments

Energy Technology Data Exchange (ETDEWEB)

Butt, D.P. [Los Alamos National Lab., NM (United States); Tressler, R.E.; Spear, K.E. [Pennsylvania State Univ., University Park, PA (United States). Dept. of Materials Science and Engineering

1993-09-01

Three SiC materials were exposed to gas mixtures containing N{sub 2}, H{sub 2}, and CO at 1000-1300C, 1-740 torr for a few to 1000 h. Kinetic and thermodynamic studies indicate that CO is the predominant oxidizing species. A variety of corrosion processes were observed, including surface and internal pit formation, needle growth, grain boundary attack, and attack of impurities and surrounding material. In the case of a siliconized SiC, impurities such as Ca, Al, and Fe diffused rapidly through the Si matrix forming complex calcium aluminosilicates on the surface, leaving behind internal voids. Evaluation of the mechanical properties, including fractography, revealed a variety of degradative phenomena. Efforts to identify causes of pit formation suggested that the overall process was complex. Pits formed during attack of grain boundaries and regions containing transition metal impurities. Studies of single crystals showed preferential attack near impurities and crystalline defects, indicating that damaged crystals or certain crystal orientations in the polycrystalline materials are susceptible to attack. In addition, under some conditions where pit formation was observed, the strength of certain materials increased apparently due to flaw healing. It is suggested that flaws can heal in the absence of mechanical stress due to their high surface energy. However, second phases observed within partially healed surface cracks suggest impurities also contribute to the flaw healing processes.

Macromolecular crystallization in microgravity

International Nuclear Information System (INIS)

Snell, Edward H; Helliwell, John R

2005-01-01

Density difference fluid flows and sedimentation of growing crystals are greatly reduced when crystallization takes place in a reduced gravity environment. In the case of macromolecular crystallography a crystal of a biological macromolecule is used for diffraction experiments (x-ray or neutron) so as to determine the three-dimensional structure of the macromolecule. The better the internal order of the crystal then the greater the molecular structure detail that can be extracted. It is this structural information that enables an understanding of how the molecule functions. This knowledge is changing the biological and chemical sciences, with major potential in understanding disease pathologies. In this review, we examine the use of microgravity as an environment to grow macromolecular crystals. We describe the crystallization procedures used on the ground, how the resulting crystals are studied and the knowledge obtained from those crystals. We address the features desired in an ordered crystal and the techniques used to evaluate those features in detail. We then introduce the microgravity environment, the techniques to access that environment and the theory and evidence behind the use of microgravity for crystallization experiments. We describe how ground-based laboratory techniques have been adapted to microgravity flights and look at some of the methods used to analyse the resulting data. Several case studies illustrate the physical crystal quality improvements and the macromolecular structural advances. Finally, limitations and alternatives to microgravity and future directions for this research are covered. Macromolecular structural crystallography in general is a remarkable field where physics, biology, chemistry and mathematics meet to enable insight to the fundamentals of life. As the reader will see, there is a great deal of physics involved when the microgravity environment is applied to crystallization, some of it known, and undoubtedly much yet to

Crystal nucleation in metallic alloys using x-ray radiography and machine learning

Science.gov (United States)

Arteta, Carlos; Lempitsky, Victor

2018-01-01

The crystallization of solidifying Al-Cu alloys over a wide range of conditions was studied in situ by synchrotron x-ray radiography, and the data were analyzed using a computer vision algorithm trained using machine learning. The effect of cooling rate and solute concentration on nucleation undercooling, crystal formation rate, and crystal growth rate was measured automatically for thousands of separate crystals, which was impossible to achieve manually. Nucleation undercooling distributions confirmed the efficiency of extrinsic grain refiners and gave support to the widely assumed free growth model of heterogeneous nucleation. We show that crystallization occurred in temporal and spatial bursts associated with a solute-suppressed nucleation zone. PMID:29662954

Positronium deuteride and hydride in MgO crystals

OpenAIRE

Monge, M. A.; Pareja, R.; González, R.; Chen, Y.

1996-01-01

Low-temperature positron lifetime and Doppler broadening measurements were made in MgO crystals containing D− or H− ions in order to investigate the temperature dependence of the positron trapping by D− and H− ions and elucidate the possible formation of PsD (PsH) states. Positrons are trapped at D− and H− ions once the oxygen vacancies, which are more effective positron traps, are eliminated by annealing the crystals at high temperatures in a reducing atmosphere. From the temperature depende...

Electrolytic coloration of air-grown sodium fluoride crystals

International Nuclear Information System (INIS)

Gu Hongen; Han Li; Song Cuiying; Guo Meili; Wang Na

2007-01-01

Air-grown sodium fluoride crystals were colored electrolytically by using a pointed cathode at various temperatures and electric field strengths, which should mainly benefit appropriate coloration temperatures and electric field strengths. O 2 - , F, M, N 1 , N 2 color centers and O 2- -F + complexes were produced in the colored crystals. Current-time curves for the electrolytic colorations were given, and activation energy for the V color center migration was determined. The formation of the color centers was explained

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.

Spectroscopic and crystallographic studies of YAG:Pr4+ single crystals

International Nuclear Information System (INIS)

Pawlak, D.; Frukacz, Z.; Mierczyk, Z.; Suchocki, A.; Zachara, J.

1998-01-01

Y 3 Al 5 O 12 single crystals doped with praseodymium and magnesium ions have been prepared. The reversible color change of this crystal is observed when annealing in oxidizing or reducing atmospheres. The change is ascribed to the formation of Pr 4+ in the as-grown crystal, caused by the second dopant, Mg 2+ . The absorption spectra of YAG:Pr,Mg in the range 200-1100 nm, as grown and annealed in air and H 2 /N 2 atmosphere, are presented and discussed. Additional broad absorption bands are observed for the as-grown crystals and those annealed in oxidizing atmosphere. Crystallographic investigations of the original crystal and after annealing in a reducing atmosphere as described above, show no distinct structural differences. A redox mechanism is proposed to explain the color change during annealing. (orig.)

Twinning of Polymer Crystals Suppressed by Entropy

Directory of Open Access Journals (Sweden)

Nikos Ch. Karayiannis

2014-09-01

Full Text Available We propose an entropic argument as partial explanation of the observed scarcity of twinned structures in crystalline samples of synthetic organic polymeric materials. Polymeric molecules possess a much larger number of conformational degrees of freedom than low molecular weight substances. The preferred conformations of polymer chains in the bulk of a single crystal are often incompatible with the conformations imposed by the symmetry of a growth twin, both at the composition surfaces and in the twin axis. We calculate the differences in conformational entropy between chains in single crystals and chains in twinned crystals, and find that the reduction in chain conformational entropy in the twin is sufficient to make the single crystal the stable thermodynamic phase. The formation of cyclic twins in molecular dynamics simulations of chains of hard spheres must thus be attributed to kinetic factors. In more realistic polymers this entropic contribution to the free energy can be canceled or dominated by nonbonded and torsional energetics.

Band structures in fractal grading porous phononic crystals

Science.gov (United States)

Wang, Kai; Liu, Ying; Liang, Tianshu; Wang, Bin

2018-05-01

In this paper, a new grading porous structure is introduced based on a Sierpinski triangle routine, and wave propagation in this fractal grading porous phononic crystal is investigated. The influences of fractal hierarchy and porosity on the band structures in fractal graidng porous phononic crystals are clarified. Vibration modes of unit cell at absolute band gap edges are given to manifest formation mechanism of absolute band gaps. The results show that absolute band gaps are easy to form in fractal structures comparatively to the normal ones with the same porosity. Structures with higher fractal hierarchies benefit multiple wider absolute band gaps. This work provides useful guidance in design of fractal porous phononic crystals.

Peer Observation and Evaluation Tool (POET: A Formative Peer Review Supporting Scholarly Teaching

Directory of Open Access Journals (Sweden)

Jeffrey L. Crabtree

2016-07-01

Full Text Available The Peer Observation and Evaluation Tool (POET is a valid and reliable measure developed for formative peer evaluation of pharmacy faculty. The authors replicated a study conducted on the POET in pharmacy in order to report the instrument’s validity and reliability in occupational therapy and to explore its potential as a formative teaching evaluation for occupational therapy educators. To verify item importance, seven participants from the faculty in an occupational therapy department rated each item. To establish inter-rater reliability, the participants evaluated one videotaped 55 min lecture. The POET was reliable with ICC at 0.93. There were high levels of agreement with the importance ratings among the participants with all scales. The POET appears to be a valid and reliable formative measure of teaching. At a time of significant change in the level of occupational therapy education, this measure may be an important support for scholarly teaching in two ways: First, this measure offers several opportunities to document the instructor’s strengths and, second, it offers the instructor suggestions about ways to improve teaching quality. Finally, the POET may facilitate faculty professional growth and development through systematic, strategic, and constructive peer review feedback.

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.

Controlled Growth of Rubrene Nanowires by Eutectic Melt Crystallization

Science.gov (United States)

Chung, Jeyon; Hyon, Jinho; Park, Kyung-Sun; Cho, Boram; Baek, Jangmi; Kim, Jueun; Lee, Sang Uck; Sung, Myung Mo; Kang, Youngjong

2016-03-01

Organic semiconductors including rubrene, Alq3, copper phthalocyanine and pentacene are crystallized by the eutectic melt crystallization. Those organic semiconductors form good eutectic systems with the various volatile crystallizable additives such as benzoic acid, salicylic acid, naphthalene and 1,3,5-trichlorobenzene. Due to the formation of the eutectic system, organic semiconductors having originally high melting point (Tm > 300 °C) are melted and crystallized at low temperature (Te = 40.8-133 °C). The volatile crystallizable additives are easily removed by sublimation. For a model system using rubrene, single crystalline rubrene nanowires are prepared by the eutectic melt crystallization and the eutectic-melt-assisted nanoimpinting (EMAN) technique. It is demonstrated that crystal structure and the growth direction of rubrene can be controlled by using different volatile crystallizable additives. The field effect mobility of rubrene nanowires prepared using several different crystallizable additives are measured and compared.

(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

Crystallization Kinetics within a Generic Modelling Framework

DEFF Research Database (Denmark)

Meisler, Kresten Troelstrup; von Solms, Nicolas; Gernaey, Krist

2013-01-01

An existing generic modelling framework has been expanded with tools for kinetic model analysis. The analysis of kinetics is carried out within the framework where kinetic constitutive models are collected, analysed and utilized for the simulation of crystallization operations. A modelling...... procedure is proposed to gain the information of crystallization operation kinetic model analysis and utilize this for faster evaluation of crystallization operations....

Ice formation in subglacial Lake Vostok, Central Antarctica

Science.gov (United States)

Souchez, R.; Petit, J. R.; Tison, J.-L.; Jouzel, J.; Verbeke, V.

2000-09-01

The investigation of chemical and isotopic properties in the lake ice from the Vostok ice core gives clues to the mechanisms involved in ice formation within the lake. A small lake water salinity can be reasonably deduced from the chemical data. Possible implications for the water circulation of Lake Vostok are developed. The characteristics of the isotopic composition of the lake ice indicate that ice formation in Lake Vostok occurred by frazil ice crystal generation due to supercooling as a consequence of rising waters and a possible contrast in water salinity. Subsequent consolidation of the developed loose ice crystals results in the accretion of ice to the ceiling of the lake.

Effects of tellurium concentration on the structure of melt-grown ZnSe crystals

International Nuclear Information System (INIS)

Atroshchenko, Lyubov V.; Galkin, Sergey N.; Rybalka, Irina A.; Voronkin, Evgeniy F.; Lalayants, Alexandr I.; Ryzhikov, Vladimir D.; Fedorov, Alexandr G.

2005-01-01

It has been shown that isovalent doping by tellurium positively affects the structural perfection of ZnSe crystals related to the completeness of the wurtzite-sphalerite phase transition. The optimum concentration range of tellurium in ZnSe crystals is 0.3-0.6 mass %. X-ray diffraction studies have shown that in ZnSe 1-x Te x crystals at tellurium concentrations below 0.3 mass % twinning and packing defects occur, while tellurium concentrations above 0.6 mass % lead to formation of tetragonal crystal lattice

Radiation effects in corundum single crystals

International Nuclear Information System (INIS)

Gevorkyan, V.A.; Harutunyan, V.V.; Hakhverdyan, E.A.

2005-01-01

On the basis of new experimental results and analysis of publications it is shown that in the lattice of corundum crystals the high-energy particles create stable structural defects due to knocking out of atoms from normal sites of the anionic sublattice; this leads to the formation of F and F '+ centers as well as to other complex [Al i '+ F] type color centers. The essence of 'radiation memory' effect in corundum single crystals is that the high-energy particles irradiation, annealing at high temperatures and additional irradiation by X-rays result in the restoration of some spectral bands of the optical absorption in the range 200-650 nm

Crystal nucleation initiated by transient ion-surface interactions at aerosol interfaces.

Science.gov (United States)

Davis, Ryan D; Tolbert, Margaret A

2017-07-01

Particle collisions are a common occurrence in the atmosphere, but no empirical observations exist to fully predict the potential effects of these collisions on air quality and climate projections. The current consensus of heterogeneous crystal nucleation pathways relevant to the atmosphere dictates that collisions with amorphous particles have no effect on the crystallization relative humidity (RH) of aqueous inorganic aerosols because there is no stabilizing ion-surface interaction to facilitate the formation of crystal nuclei. In contrast to this view of heterogeneous nucleation, we report laboratory observations demonstrating that collisions with hydrophobic amorphous organic aerosols induced crystallization of aqueous inorganic microdroplets at high RH, the effect of which was correlated with destabilizing water-mediated ion-specific surface interactions. These same organic aerosols did not induce crystallization once internally mixed in the droplet, pointing toward a previously unconsidered transient ion-specific crystal nucleation pathway that can promote aerosol crystallization via particle collisions.

Crystallization mechanisms of acicular crystals

Science.gov (United States)

Puel, François; Verdurand, Elodie; Taulelle, Pascal; Bebon, Christine; Colson, Didier; Klein, Jean-Paul; Veesler, Stéphane

2008-01-01

In this contribution, we present an experimental investigation of the growth of four different organic molecules produced at industrial scale with a view to understand the crystallization mechanism of acicular or needle-like crystals. For all organic crystals studied in this article, layer-by-layer growth of the lateral faces is very slow and clear, as soon as the supersaturation is high enough, there is competition between growth and surface-activated secondary nucleation. This gives rise to pseudo-twinned crystals composed of several needle individuals aligned along a crystallographic axis; this is explained by regular over- and inter-growths as in the case of twinning. And when supersaturation is even higher, nucleation is fast and random. In an industrial continuous crystallization, the rapid growth of needle-like crystals is to be avoided as it leads to fragile crystals or needles, which can be partly broken or totally detached from the parent crystals especially along structural anisotropic axis corresponding to weaker chemical bonds, thus leading to slower growing faces. When an activated mechanism is involved such as a secondary surface nucleation, it is no longer possible to obtain a steady state. Therefore, the crystal number, size and habit vary significantly with time, leading to troubles in the downstream processing operations and to modifications of the final solid-specific properties. These results provide valuable information on the unique crystallization mechanisms of acicular crystals, and show that it is important to know these threshold and critical values when running a crystallizer in order to obtain easy-to-handle crystals.

Crystal Structure and Substrate Specificity of Drosophila 3,4-Dihydroxyphenylalanine Decarboxylase

Energy Technology Data Exchange (ETDEWEB)

Han, Q.; Ding, H; Robinson, H; Christensen, B; Li, J

2010-01-01

3,4-Dihydroxyphenylalanine decarboxylase (DDC), also known as aromatic L-amino acid decarboxylase, catalyzes the decarboxylation of a number of aromatic L-amino acids. Physiologically, DDC is responsible for the production of dopamine and serotonin through the decarboxylation of 3,4-dihydroxyphenylalanine and 5-hydroxytryptophan, respectively. In insects, both dopamine and serotonin serve as classical neurotransmitters, neuromodulators, or neurohormones, and dopamine is also involved in insect cuticle formation, eggshell hardening, and immune responses. In this study, we expressed a typical DDC enzyme from Drosophila melanogaster, critically analyzed its substrate specificity and biochemical properties, determined its crystal structure at 1.75 Angstrom resolution, and evaluated the roles residues T82 and H192 play in substrate binding and enzyme catalysis through site-directed mutagenesis of the enzyme. Our results establish that this DDC functions exclusively on the production of dopamine and serotonin, with no activity to tyrosine or tryptophan and catalyzes the formation of serotonin more efficiently than dopamine. The crystal structure of Drosophila DDC and the site-directed mutagenesis study of the enzyme demonstrate that T82 is involved in substrate binding and that H192 is used not only for substrate interaction, but for cofactor binding of drDDC as well. Through comparative analysis, the results also provide insight into the structure-function relationship of other insect DDC-like proteins.

Crystal structure and substrate specificity of Drosophila 3,4-dihydroxyphenylalanine decarboxylase.

Directory of Open Access Journals (Sweden)

Qian Han

2010-01-01

Full Text Available 3,4-Dihydroxyphenylalanine decarboxylase (DDC, also known as aromatic L-amino acid decarboxylase, catalyzes the decarboxylation of a number of aromatic L-amino acids. Physiologically, DDC is responsible for the production of dopamine and serotonin through the decarboxylation of 3,4-dihydroxyphenylalanine and 5-hydroxytryptophan, respectively. In insects, both dopamine and serotonin serve as classical neurotransmitters, neuromodulators, or neurohormones, and dopamine is also involved in insect cuticle formation, eggshell hardening, and immune responses.In this study, we expressed a typical DDC enzyme from Drosophila melanogaster, critically analyzed its substrate specificity and biochemical properties, determined its crystal structure at 1.75 Angstrom resolution, and evaluated the roles residues T82 and H192 play in substrate binding and enzyme catalysis through site-directed mutagenesis of the enzyme. Our results establish that this DDC functions exclusively on the production of dopamine and serotonin, with no activity to tyrosine or tryptophan and catalyzes the formation of serotonin more efficiently than dopamine.The crystal structure of Drosophila DDC and the site-directed mutagenesis study of the enzyme demonstrate that T82 is involved in substrate binding and that H192 is used not only for substrate interaction, but for cofactor binding of drDDC as well. Through comparative analysis, the results also provide insight into the structure-function relationship of other insect DDC-like proteins.

Using the Kaldor-Hicks Tableau Format for Cost-Benefit Analysis and Policy Evaluation

Science.gov (United States)

Krutilla, Kerry

2005-01-01

This note describes the Kaldor-Hicks (KH) tableau format as a framework for distributional accounting in cost-benefit analysis and policy evaluation. The KH tableau format can serve as a heuristic aid for teaching microeconomics-based policy analysis, and offer insight to policy analysts and decisionmakers beyond conventional efficiency analysis.

Iron single crystal growth from a lithium-rich melt

Science.gov (United States)

Fix, M.; Schumann, H.; Jantz, S. G.; Breitner, F. A.; Leineweber, A.; Jesche, A.

2018-03-01

α -Fe single crystals of rhombic dodecahedral habit were grown from a Li84N12Fe∼3 melt. Crystals of several millimeter along a side form at temperatures around T ≈ 800 ° C. Upon further cooling the growth competes with the formation of Fe-doped Li3N. The b.c.c. structure and good sample quality of α -Fe single crystals were confirmed by X-ray and electron diffraction as well as magnetization measurements and chemical analysis. A nitrogen concentration of 90 ppm was detected by means of carrier gas hot extraction. Scanning electron microscopy did not reveal any sign of iron nitride precipitates.

Tamm-plasmon polaritons in one-dimensional photonic quasi-crystals.

Science.gov (United States)

Shukla, Mukesh Kumar; Das, Ritwick

2018-02-01

We present an investigation to ascertain the existence of Tamm-plasmon-polariton-like modes in one-dimensional (1D) quasi-periodic photonic systems. Photonic bandgap formation in quasi-crystals is essentially a consequence of long-range periodicity exhibited by multilayers and, thus, it can be explained using the dispersion relation in the Brillouin zone. Defining a "Zak"-like topological phase in 1D quasi-crystals, we propose a recipe to ascertain the existence of Tamm-like photonic surface modes in a metal-terminated quasi-crystal lattice. Additionally, we also explore the conditions of efficient excitation of such surface modes along with their dispersion characteristics.

Program PLOTC4. (Version 87-1). Plot evaluated data from the ENDF/B format and/or experimental data which is in a computation format

International Nuclear Information System (INIS)

Cullen, D.E.

1987-06-01

Experimental and evaluated nuclear reaction data are world-wide compiled in EXFOR format (see document IAEA-NDS-1) and ENDF format (see document IAEA-NDS-10), respectively. The computer program PLOTC4 described in the present document plots data from both formats; EXFOR data must be converted first to a ''computation format'' (see document IAEA-NDS-80). The program is available upon request costfree from the IAEA Nuclear Data Section. (author)

Grotthuss Transport of Iodide in EMIM/I3 Ionic Crystal.

Science.gov (United States)

McDaniel, Jesse G; Yethiraj, Arun

2018-01-11

Highly ionic environments can mediate unusual chemical reactions that would otherwise be considered impossible based on chemical intuition. For example, the formation of a chemical bond between two iodide anions to form a divalent polyiodide anion is seemingly prohibited due to Coulombic repulsion. Using ab initio molecular dynamics simulations, we show that in the 1-ethyl-3-methylimidazolium (EMIM)/I 3 ionic crystal, the reactive formation of divalent and even trivalent polyiodide anions occurs with extremely small energetic barriers, due to the electrostatic field of the ionic lattice. A practical consequence of this anomalous reactivity is that iodide anions are efficiently transported within the crystal through a "Grotthuss-exchange" mechanism involving bond-breaking and forming events. We characterize two distinct transport pathways, involving both I 4 2- and I 7 3- intermediates, with fast transport of iodide resulting from the release of an I - anion on the opposite side of the intermediate species from the initial bond formation. The ordered cation arrangement in the crystal provides the necessary electrostatic screening for close approach of anions, suggesting a new counterintuitive approach to obtain high ionic conductivity. This new design principle could be used to develop better solid-state electrolytes for batteries, fuel cells, and supercapacitors.

Defects in silicon effect on device performance and relationship to crystal growth conditions

Science.gov (United States)

Jastrzebski, L.

1985-01-01

A relationship between material defects in silicon and the performance of electronic devices will be described. A role which oxygen and carbon in silicon play during the defects generation process will be discussed. The electronic properties of silicon are a strong function of the oxygen state in the silicon. This state controls mechanical properties of silicon efficiency for internal gettering and formation of defects in the device's active area. In addition, to temperature, time, ambience, and the cooling/heating rates of high temperature treatments, the oxygen state is a function of the crystal growth process. The incorporation of carbon and oxygen into silicon crystal is controlled by geometry and rotation rates applied to crystal and crucible during crystal growths. Also, formation of nucleation centers for oxygen precipitation is influenced by the growth process, although there is still a controversy which parameters play a major role. All these factors will be reviewed with special emphasis on areas which are still ambiguous and controversial.

Comparative in vitro studies on disodium EDTA effect with and without Proteus mirabilis on the crystallization of carbonate apatite and struvite

Science.gov (United States)

Prywer, Jolanta; Olszynski, Marcin; Torzewska, Agnieszka; Mielniczek-Brzóska, Ewa

2014-06-01

Effect of disodium EDTA (salt of ethylenediamine tetraacetic acid) on the crystallization of struvite and carbonate apatite was studied. To evaluate such an effect we performed an experiment of struvite and carbonate apatite growth from artificial urine. The crystallization process was induced by Proteus mirabilis to mimic the real urinary tract infection, which usually leads to urinary stone formation. The results demonstrate that disodium EDTA exhibits the effect against P. mirabilis retarding the activity of urease - an enzyme produced by these microorganisms. The spectrophotometric results demonstrate that, with and without P. mirabilis, the addition of disodium EDTA increases the induction time and decreases the growth efficiency compared to the baseline (without disodium EDTA). These results are discussed from the standpoint of speciation of complexes formed in the solution of artificial urine in the presence of disodium EDTA. The size of struvite crystals was found to decrease in the presence of disodium EDTA. However, struvite crystals are larger in the presence of bacteria while the crystal morphology and habit remain unchanged.

Kinetic Monte Carlo simulation of formation of microstructures in liquid droplets

International Nuclear Information System (INIS)

Block, M; Kunert, R; Schoell, E; Boeck, T; Teubner, Th

2004-01-01

We study the deposition of indium droplets on a glass surface and the subsequent formation of silicon microcrystals inside these droplets. Kinetic Monte Carlo methods are used to analyse the influence of growth temperature, flux of incoming particles, surface coverage, and in particular an energy parameter simulating the surface tension, upon the morphology of growth. According to the experimental conditions of crystallization, a temperature gradient and diffusion in spherical droplets are included. The simulations explain the formation of silicon crystal structures in good agreement with the experiment. The dependence of their shape and the conditions of formation on the growth parameters are investigated in detail

Mechanism of formation of zeolite Y. I. Action of sodium hydroxide on silica sol

Energy Technology Data Exchange (ETDEWEB)

Polak, F; Stobiecka, E

1974-01-01

Changes in the composition of the liquid and solid phases during maturation and crystallization of zeolite Y, x-ray diffraction, and sorption of C/sub 6/H/sub 6/ showed that with NaOH treatment of SiO/sub 2/ greater than 3 hr, depolymerization occurred, inhibiting the formation of zeolite Y upon crystallization and resulting in the formation of gmelinite. A discrepancy between the experimental data on the dependence of the crystal constant on the SiO/sub 2//Al/sub 2/O/sub 3/ ratio and previously published data is discussed.

Do protein crystals nucleate within dense liquid clusters?

International Nuclear Information System (INIS)

Maes, Dominique; Vorontsova, Maria A.; Potenza, Marco A. C.; Sanvito, Tiziano; Sleutel, Mike; Giglio, Marzio; Vekilov, Peter G.

2015-01-01

The evolution of protein-rich clusters and nucleating crystals were characterized by dynamic light scattering (DLS), confocal depolarized dynamic light scattering (cDDLS) and depolarized oblique illumination dark-field microscopy. Newly nucleated crystals within protein-rich clusters were detected directly. These observations indicate that the protein-rich clusters are locations for crystal nucleation. Protein-dense liquid clusters are regions of high protein concentration that have been observed in solutions of several proteins. The typical cluster size varies from several tens to several hundreds of nanometres and their volume fraction remains below 10 −3 of the solution. According to the two-step mechanism of nucleation, the protein-rich clusters serve as locations for and precursors to the nucleation of protein crystals. While the two-step mechanism explained several unusual features of protein crystal nucleation kinetics, a direct observation of its validity for protein crystals has been lacking. Here, two independent observations of crystal nucleation with the proteins lysozyme and glucose isomerase are discussed. Firstly, the evolutions of the protein-rich clusters and nucleating crystals were characterized simultaneously by dynamic light scattering (DLS) and confocal depolarized dynamic light scattering (cDDLS), respectively. It is demonstrated that protein crystals appear following a significant delay after cluster formation. The cDDLS correlation functions follow a Gaussian decay, indicative of nondiffusive motion. A possible explanation is that the crystals are contained inside large clusters and are driven by the elasticity of the cluster surface. Secondly, depolarized oblique illumination dark-field microscopy reveals the evolution from liquid clusters without crystals to newly nucleated crystals contained in the clusters to grown crystals freely diffusing in the solution. Collectively, the observations indicate that the protein-rich clusters in

Formation of physical-gel redox electrolytes through self-assembly of discotic liquid crystals: Applications in dye sensitized solar cells

International Nuclear Information System (INIS)

Khan, Ammar A.; Kamarudin, Muhammad A.; Qasim, Malik M.; Wilkinson, Timothy D.

2017-01-01

The self-assembly of small molecules into ordered structures is of significant interest in electronic applications due to simpler device fabrication and better performance. Here we present work on the development of self-assembled fibrous networks of thermotropic triphenylene discotic liquid crystals, where 2,3,6,7,10,11-Hexakishexyloxytriphenylene (HAT6) is studied. The formation of interconnected molecular fibres in acetonitrile-based solvents facilitates thermally-reversible physical-gel (non-covalent) preparation, with the HAT6 network providing mechanical support and containment of the solvent. Furthermore, gel formation is also achieved using an acetonitrile-based iodide/tri-iodide redox liquid electrolyte, and the resulting gel mixture is utilised as an electrolyte in dye-sensitized solar cells (DSSCs). Our results show that it is indeed possible to achieve in situ gel formation in DSSCs, allowing for easy cell fabrication and electrolyte filling. In addition, the gel phase is found to increase device lifetime by limiting solvent evaporation. Differential scanning calorimetry (DSC) and polarising optical microscopy (POM) are used to study gel formation, and it is identified that the thermally reversible gels are stable up to working temperatures of 40 °C. It is found that DSSCs filled with gel electrolyte exhibit longer electron lifetime in the TiO 2 photo-anode (≈8.4 ms in the liquid electrolyte to ≈11.4 ms in the gel electrolytes), most likely due to electron screening from the electrolyte by HAT6. Current-Voltage (I–V) and electrochemical impedance spectroscopy (EIS) are used to study the effect of gel formation on conductivity and electrochemical properties, and it is found that confinement of the liquid electrolyte into a gel phase does not significantly reduce ionic conductivity, a problem common with solid-state polymer electrolytes. A 3.8 mM HAT6 gel electrolyte DSSC exhibited a PCE of 6.19% vs. a 5.86% liquid electrolyte reference. Extended

Ice crystal growth under the presence of krypton and methane at low temperature

Science.gov (United States)

Kawauchi, Taizo; Yoda, Yoshitaka; Fukutani, Katsuyuki

2018-02-01

To investigate the influence of foreign gas inclusion on the crystallization of ice, we studied the low-temperature (74 0.2) of Kr and CH4 enhance the formation of ice Ih and increase the crystal size, while at high foreign gas contents (R ⩽ 0.2) that may develop Kr or CH4 crystals below 92 K, the crystal size and relative amount of ice decrease strongly. The maximum ice Ih crystal size in the order of 200 nm was observed with either Kr or CH4 at 92 K for R = 0.2. We propose that Kr and CH4 induce the crystallization of ice by acting as a surfactant.

Web Accessibility Issues for Higher & Further Education. EDNER (Formative Evaluation of the Distributed National Electronic Resource) Project. Issues Paper.

Science.gov (United States)

Manchester Metropolitan Univ. (England).

This issues paper, sixth in a series of eight, is intended to distill formative evaluation questions on topics that are central to the development of the higher and further education information environment in the United Kingdom. In undertaking formative evaluation studies, the Formative Evaluation of the Distributed National Electronic Resource…

Formative Evaluation of the Behavior Change Components within a Colorado Weatherization Assistance Program

Science.gov (United States)

Sandoval, Perla K.

A formative evaluation of behavior change elements of an ongoing Weatherization Assistance Program (WAP) offered by the Energy Resource Center (E.R.C.) in Denver, CO was conducted. The WAP as administered by the E.R.C. in Colorado saves residents an average 15% of energy consumption (E.R.C., 2015). However, research suggests that adding behavioral components to WAPs could increase energy savings to 21-26% (Gregory, 1992; APPRAISE, 2002). The goal of this evaluation is to provide recommendations to E.R.C. for program changes using Community Based Social Marketing (CBSM) and Theory of Planned Behavior. The CBSM Step 1- Step 3 is the focus of this formative evaluation. This program evaluation has four components: 1) review of written materials, 2) interviews with staff, 3) surveys mailed to E.R.C. clients and 4) in-home observations conducted with E.R.C. clients. Results of this formative evaluation has 3 sections of behaviors recommended for future intervention high priority, mid priority, and low priority recommendations based on CBSM penetration, probability, and impact factors. Behaviors that are listed as high priority for E.R.C. Behavioral intervention are cold water washing, hang drying, setting back thermostats, and window coverings. Overall increase in staff engagement is also recommended to be pursued. Each staff level is also given recommendations on how to engage in behavior change interventions.

Youth Can! Grow Healthy: A Formative Evaluation of a Positive Youth Development Program

Directory of Open Access Journals (Sweden)

Andrew Carberry

2013-06-01

Full Text Available This paper presents a formative evaluation of an afterschool program that combined positive youth development and school garden curricula. Novel approaches were used to teach elementary school children about gardening and nutrition, and to engage them in advocacy for healthy community physical activity and nutrition environments. The youth development curriculum included sessions on team building, community pride, healthy eating, physical activity, and advocacy. Photovoice methods were used to allow participants to assess their community and communicate findings with community leaders. The school garden curriculum included nutrition and gardening lessons. Formative evaluation was conducted for each session. Themes of the evaluation were: successful methods for engaging youth, issues in the social environment, and implications for program management. Evaluation results are discussed in relationship to relevant youth development literature to provide recommendations that will strengthen future programs.

Formation and properties of metallic nanoparticles in lithium and sodium fluorides with radiation-induced color centers

Science.gov (United States)

Bryukvina, L. I.; Martynovich, E. F.

2012-12-01

The specific features of light- and temperature-induced formation of metallic nanoparticles in γ-irradiated LiF and NaF crystals have been investigated. Atomic force microscope images of nanoparticles of different sizes and in different locations have been presented. The relation between the crystal processing regimes and properties of the nanoparticles formed has been revealed. The optical properties of the processed crystals have been analyzed. The thermo- and light-stimulated processes underlying the formation of metallic nanoparticles in aggregation of the color centers and their decay due to the recovery of the crystal lattice have been studied.

Extended covariance data formats for the ENDF/B-VI differential data evaluation

International Nuclear Information System (INIS)

Peelle, R.W.; Muir, D.W.

1988-01-01

The ENDF/B-V included cross section covariance data, but covariances could not be encoded for all the important data types. New ENDF-6 covariance formats are outlined including those for cross-file (MF) covariances, resonance parameters over the whole range, and secondary energy and angle distributions. One ''late entry'' format encodes covariance data for cross sections that are output from model or fitting codes in terms of the model parameter covariance matrix and the tabulated derivatives of cross sections with respect to the model parameters. Another new format yields multigroup cross section variances that increase as the group width decreases. When evaluators use the new formats, the files can be processed and used for improved uncertainty propagation and data combination. 22 refs

Synthesis of vaterite and aragonite crystals using biomolecules of tomato and capsicum

Science.gov (United States)

Chen, Long; Xu, Wang-Hua; Zhao, Ying-Guo; Kang, Yan; Liu, Shao-Hua; Zhang, Zai-Yong

2012-12-01

In this paper, biomimetic synthesis of calcium carbonate (CaCO3) in the presence of biomolecules of two vegetables-tomato and capsicum is investigated. Scanning electron microscopy and X-ray powder diffractometry were used to characterize the CaCO3 obtained. The biomolecules in the extracts of two vegetables are determined by UV-vis or FTIR. The results indicate that a mixture of calcite and vaterite spheres constructed from small particles is produced with the extract of tomato, while aragonite rods or ellipsoids are formed in the presence of extract of capsicum. The possible formation mechanism of the CaCO3 crystals with tomato biomolecules can be interpreted by particle-aggregation based non-classical crystallization laws. The proteins and/or other biomolecules in tomato and capsicum may control the formation of vaterite and aragonite crystals by adsorbing onto facets of them.

Formative Evaluation of the No-Fee Teacher Education Program from the Students' Standpoint

Science.gov (United States)

Han, Yumei; Hu, Meizhong; Li, Ling

2013-01-01

This exploratory case study applied a formative evaluation framework to evaluate the no-fee teacher education program at Southwest University. The study focused on the students' perspective and their perceptions of the program, both intrinsic and extrinsic. A self-evaluation checklist and a questionnaire were the instruments used to collect data.…

Primary and aggregate color centers in proton irradiated LiF crystals and thin films for luminescent solid state detectors

Science.gov (United States)

Piccinini, M.; Ambrosini, F.; Ampollini, A.; Bonfigli, F.; Libera, S.; Picardi, L.; Ronsivalle, C.; Vincenti, M. A.; Montereali, R. M.

2015-04-01

Proton beams of 3 MeV energy, produced by the injector of a linear accelerator for proton therapy, were used to irradiate at room temperature lithium fluoride crystals and polycrystalline thin films grown by thermal evaporation. The irradiation fluence range was 1011-1015 protons/cm2. The proton irradiation induced the stable formation of primary and aggregate color centers. Their formation was investigated by optical absorption and photoluminescence spectroscopy. The F2 and F3+ photoluminescence intensities, carefully measured in LiF crystals and thin films, show linear behaviours up to different maximum values of the irradiation fluence, after which a quenching is observed, depending on the nature of the samples (crystals and films). The Principal Component Analysis, applied to the absorption spectra of colored crystals, allowed to clearly identify the formation of more complex aggregate defects in samples irradiated at highest fluences.

Study of Te Inclusion and Related Point Defects in THM-Growth CdMnTe Crystal

Science.gov (United States)

Mao, Yifei; Zhang, Jijun; Min, Jiahua; Liang, Xiaoyan; Huang, Jian; Tang, Ke; Ling, Liwen; Li, Ming; Zhang, Ying; Wang, Linjun

2018-02-01

This study establishes a model for describing the interaction between Te inclusions, dislocations and point defects in CdMnTe crystals. The role of the complex environment surrounding the formation of Te inclusions was analyzed. Images of Te inclusions captured by scanning electron microscope and infrared microscope were used to observe the morphology of Te inclusions. The morphology of Te inclusions is discussed in light of crystallography, from the crystal growth temperature at 900°C to the melting temperature of Te inclusions using the traveling heater method. The dislocation nets around Te inclusions were calculated by counting lattice mismatches between the Te inclusions and the bulk CdMnTe at 470°C. The point defects of Te antisites were found to be gathered around Te inclusions, with dislocation climb during the cooling phase of crystal growth from 470°C to room temperature. The Te inclusions, dislocation nets and surrounding point defects are considered to be an entirety for evaluating the effect of Te inclusions on CdMnTe detector performance, and an effective mobility-lifetime product (μτ) was obtained.

Femtosecond X-ray diffraction from two-dimensional protein crystals

Directory of Open Access Journals (Sweden)

Matthias Frank

2014-03-01

Full Text Available X-ray diffraction patterns from two-dimensional (2-D protein crystals obtained using femtosecond X-ray pulses from an X-ray free-electron laser (XFEL are presented. To date, it has not been possible to acquire transmission X-ray diffraction patterns from individual 2-D protein crystals due to radiation damage. However, the intense and ultrafast pulses generated by an XFEL permit a new method of collecting diffraction data before the sample is destroyed. Utilizing a diffract-before-destroy approach at the Linac Coherent Light Source, Bragg diffraction was acquired to better than 8.5 Å resolution for two different 2-D protein crystal samples each less than 10 nm thick and maintained at room temperature. These proof-of-principle results show promise for structural analysis of both soluble and membrane proteins arranged as 2-D crystals without requiring cryogenic conditions or the formation of three-dimensional crystals.

V color centers in electrolytically colored hydroxyl-doped sodium chloride crystals

International Nuclear Information System (INIS)

Gu Hongen; Song Cuiying; Han Li

2006-01-01

Hydroxyl-doped sodium chloride crystals were successfully colored electrolytically by using pointed anode and flat cathode at various temperatures and under various electric field strengths. V 2 and V 3 color centers were produced in the colored crystals. Current-time curves for the electrolytic colorations were given, and activation energy for the V 2 and V 3 color center migration was determined. Production of the V 2 and V 3 color centers and formation of current zones for the electrolytic colorations of the hydroxyl-doped sodium chloride crystals are explained

Effects of humidity and surfaces on the melt crystallization of ibuprofen.

Science.gov (United States)

Lee, Dong-Joo; Lee, Suyang; Kim, Il Won

2012-01-01

Melt crystallization of ibuprofen was studied to understand the effects of humidity and surfaces. The molecular self-assembly during the amorphous-to-crystal transformation was examined in terms of the nucleation and growth of the crystals. The crystallization was on Al, Au, and self-assembled monolayers with -CH(3), -OH, and -COOH functional groups. Effects of the humidity were studied at room temperature (18-20 °C) with relative humidity 33%, 75%, and 100%. Effects of the surfaces were observed at -20 °C (relative humidity 36%) to enable close monitoring with slower crystal growth. The nucleation time of ibuprofen was faster at high humidity conditions probably due to the local formation of the unfavorable ibuprofen melt/water interface. The crystal morphologies of ibuprofen were governed by the nature of the surfaces, and they could be associated with the growth kinetics by the Avrami equation. The current study demonstrated the effective control of the melt crystallization of ibuprofen through the melt/atmosphere and melt/surface interfaces.

Process Analytical Technology in Freeze-Drying: Detection of the Secondary Solute + Water Crystallization with Heat Flux Sensors.

Science.gov (United States)

Wang, Qiming; Shalaev, Evgenyi

2018-04-01

In situ and non-invasive detection of solute crystallization during freeze-drying would facilitate cycle optimization and scale-up from the laboratory to commercial manufacturing scale. The objective of the study is to evaluate heat flux sensor (HFS) as a tool for monitoring solute crystallization and other first-order phase transitions (e.g., onset of freezing). HFS is a thin-film differential thermopile, which acts as a transducer to generate an electrical signal proportional to the total heat applied to its surface. In this study, HFS is used to detect both primary (ice formation) and secondary (also known as eutectic) solute + water crystallization during cooling and heating of solutions in a freeze-dryer. Binary water-solute mixtures with typical excipients concentrations (e.g., 0.9% of NaCl and 5% mannitol) and fill volumes (1 to 3 ml/vial) are studied. Secondary crystallization is detected by the HFS during cooling in all experiments with NaCl solutions, whereas timing of mannitol crystallization depends on the cooling conditions. In particular, mannitol crystallization takes place during cooling, if the cooling rate is lower than the critical value. On the other hand, if the cooling rate exceeds the critical cooling rate, mannitol crystallization during cooling is prevented, and crystallization occurs during subsequent warming or annealing. It is also observed that, while controlled ice nucleation allows initiation of the primary freezing event in different vials simultaneously, there is a noticeable vial-to-vial difference in the timing of secondary crystallization. The HFS could be a valuable process monitoring tool for non-invasive detection of various crystallization events during freeze-drying manufacturing.

Expression, purification, crystallization and preliminary crystallographic analysis of PA3885 (TpbA) from Pseudomonas aeruginosa PAO1

International Nuclear Information System (INIS)

Yang, Wen; Li, Kan; Bai, Yuwei; Zhou, Ruimin; Zhou, Weihong; Bartlam, Mark

2010-01-01

PA3885 (TpbA), a tyrosine phosphatase, may function as a balancing factor between biofilm formation and motility in the opportunistic pathogen P. aeruginosa. Here, the expression, purification, crystallization and preliminary crystallographic analysis of PA3885 from P. aeruginosa PAO1 are reported. Biofilms are important in cell communication and growth in most bacteria and are also responsible for most human clinical infections and diseases. Quorum-sensing systems have been identified to be crucial for biofilm formation and regulation. PA3885 (TpbA), a tyrosine phosphatase, is reported to convert extracellular quorum-sensing signals into internal gene-cascade reactions that result in reduced biofilm formation in the opportunistic pathogen Pseudomonas aeruginosa. Here, PA3885 from P. aeruginosa PAO1 was expressed, purified and crystallized. Single crystals were studied by X-ray crystallography and native diffraction data were collected to 2.8 Å resolution. These crystals were determined to belong to space group C2. It was not possible to conclusively determine the number of proteins in the asymmetric unit from the preliminary X-ray diffraction data analysis alone and attempts to determine the crystal structure of PA3885 are currently under way

Metallic Na formation in NaCl crystals with irradiation of electron or vacuum ultraviolet photon

Energy Technology Data Exchange (ETDEWEB)

Owaki, Shigehiro [Osaka Prefecture Univ., Sakai, Osaka (Japan). Coll. of Integrated Arts and Sciences; Koyama, Shigeko; Takahashi, Masao; Kamada, Masao; Suzuki, Ryouichi

1997-03-01

Metallic Na was formed in NaCl single crystals with irradiation of a variety of radiation sources and analyzed the physical states with several methods. In the case of irradiation of 21 MeV electron pulses to the crystal blocks, the optical absorption and lifetime measurement of positron annihilation indicated appearance of Na clusters inside. Radiation effects of electron beam of 30 keV to the crystals in vacuum showed the appearance of not only metallic Na but atomic one during irradiation with Auger electron spectroscopy. Intense photon fluxes in vacuum ultraviolet region of synchrotron radiation were used as another source and an analyzing method of ultraviolet photoelectron spectroscopy. The results showed the metallic Na layered so thick that bulk plasmon can exist. (author)

ENDL Type Formats for the LLNL Evaluated Atomic Data Library (EADL), Evaluated Electron Data Library (EEDL), and Evaluated Photon Data Library (EPDL)

International Nuclear Information System (INIS)

Perkins, S T; Cullen, D E

2002-01-01

The character file formats for the Lawrence Livermore National Laboratory evaluated atomic relaxation library (EADL), the electron library (EEDL), and the photon library (EPDL) are given in this report

Methods for producing single crystal mixed halide perovskites

Science.gov (United States)

Zhu, Kai; Zhao, Yixin

2017-07-11

An aspect of the present invention is a method that includes contacting a metal halide and a first alkylammonium halide in a solvent to form a solution and maintaining the solution at a first temperature, resulting in the formation of at least one alkylammonium halide perovskite crystal, where the metal halide includes a first halogen and a metal, the first alkylammonium halide includes the first halogen, the at least one alkylammonium halide perovskite crystal includes the metal and the first halogen, and the first temperature is above about 21.degree. C.

Conductive Hybrid Crystal Composed from Polyoxomolybdate and Deprotonatable Ionic-Liquid Surfactant

Directory of Open Access Journals (Sweden)

Jun Kobayashi

2016-06-01

Full Text Available A polyoxomolybdate inorganic-organic hybrid crystal was synthesized with deprotonatable ionic-liquid surfactant. 1-dodecylimidazolium cation was employed for its synthesis. The hybrid crystal contained δ-type octamolybdate (Mo8 isomer, and possessed alternate stacking of Mo8 monolayers and interdigitated surfactant bilayers. The crystal structure was compared with polyoxomolybdate hybrid crystals comprising 1-dodecyl-3-methylimidazolium surfactant, which preferred β-type Mo8 isomer. The less bulky hydrophilic moiety of the 1-dodecylimidazolium interacted with the δ-Mo8 anion by N–H···O hydrogen bonds, which presumably induced the formation of the δ-Mo8 anion. Anhydrous conductivity of the hybrid crystal was estimated to be 5.5 × 10−6 S·cm−1 at 443 K by alternating current (AC impedance spectroscopy.

Redistribution of erbium during the crystallization of buried amorphous silicon layers

International Nuclear Information System (INIS)

Aleksandrov, O.V.; Nikolaev, Yu.A.; Sobolev, N.A.; Sakharov, V.I.; Serenkov, I.T.; Kudryavtsev, Yu.A.

1999-01-01

The redistribution of Er during its implantation in silicon at doses close to the amorphization threshold and its subsequent solid-phase epitaxial (SPE) crystallization is investigated. The formation of a buried amorphous (a) layer is discovered at Er doses equal to 5x10 13 and 1x10 14 cm -2 using Rutherford backscattering. The segregation of Er in this case takes place inwardly from the two directions corresponding to the upper and lower boundaries of the buried αlayer and leads to the formation of a concentration peak at the meeting place of the two crystallization fronts. A method for calculating the coordinate dependence of the segregation coefficient k from the distribution profiles of the erbium impurity before and after annealing is proposed. The k(x) curve exhibits a drop, whose width increases with decreasing Er implantation dose. Its appearance is attributed to the nonequilibrium nature of the segregation process at the beginning of SPE crystallization

Macromolecular Crystal Growth by Means of Microfluidics

Science.gov (United States)

vanderWoerd, Mark; Ferree, Darren; Spearing, Scott; Monaco, Lisa; Molho, Josh; Spaid, Michael; Brasseur, Mike; Curreri, Peter A. (Technical Monitor)

2002-01-01

We have performed a feasibility study in which we show that chip-based, microfluidic (LabChip(TM)) technology is suitable for protein crystal growth. This technology allows for accurate and reliable dispensing and mixing of very small volumes while minimizing bubble formation in the crystallization mixture. The amount of (protein) solution remaining after completion of an experiment is minimal, which makes this technique efficient and attractive for use with proteins, which are difficult or expensive to obtain. The nature of LabChip(TM) technology renders it highly amenable to automation. Protein crystals obtained in our initial feasibility studies were of excellent quality as determined by X-ray diffraction. Subsequent to the feasibility study, we designed and produced the first LabChip(TM) device specifically for protein crystallization in batch mode. It can reliably dispense and mix from a range of solution constituents into two independent growth wells. We are currently testing this design to prove its efficacy for protein crystallization optimization experiments. In the near future we will expand our design to incorporate up to 10 growth wells per LabChip(TM) device. Upon completion, additional crystallization techniques such as vapor diffusion and liquid-liquid diffusion will be accommodated. Macromolecular crystallization using microfluidic technology is envisioned as a fully automated system, which will use the 'tele-science' concept of remote operation and will be developed into a research facility for the International Space Station as well as on the ground.

Crystallization of low saturated lipid blends of palm and canola oils with sorbitan monostearate and fully hydrogenated palm oil.

Science.gov (United States)

Barbosa, Karina Martins; Cardoso, Lisandro Pavie; Ribeiro, Ana Paula Badan; Kieckbusch, Theo Guenter; Buscato, Monise Helen Masuchi

2018-03-01

Several scientific investigations have focused on providing new strategies for supporting the development of low saturated and zero trans lipid materials, as healthier fat alternatives for food application. This work evaluated the consistency, crystallization behavior, microstructure and polymorphism of six blends composed of palm and canola oils at different concentrations (100:0, 80:20, 60:40, 40:60, 20:80 and 0:100, in w/w%) added with 5.0% of fully hydrogenated palm oil (FHPO) or with a mixture of 2.5% of FHPO and 2.5% of sorbitan monostearate (SMS). The results were compared with the non-structured blends (standard samples). Through microstructure images, the formation of a more homogeneous and denser packed crystal network was observed for samples added with both crystallization modifiers (FHPO/SMS) compared to the corresponding standard samples, after stabilization at 25 °C during 3 h. In particular, enhanced crystallization modifications were observed for the 40:60 blend, in which the crystal form β' emerged after the addition of FHPO/SMS. Moreover, the 40:60 blend structured with FHPO/SMS showed increased consistency (from 30 to 658 g F /cm 2 ) and induced onset crystallization in a higher temperature (from 13.1 to 23.9 °C) compared with the non-structured one, due to the specific crystallization effects provided by both added structurants.

Defect studies of ZnO single crystals electrochemically doped with hydrogen

Science.gov (United States)

Čížek, J.; Žaludová, N.; Vlach, M.; Daniš, S.; Kuriplach, J.; Procházka, I.; Brauer, G.; Anwand, W.; Grambole, D.; Skorupa, W.; Gemma, R.; Kirchheim, R.; Pundt, A.

2008-03-01

Various defect studies of hydrothermally grown (0001) oriented ZnO crystals electrochemically doped with hydrogen are presented. The hydrogen content in the crystals is determined by nuclear reaction analysis and it is found that already 0.3at.% H exists in chemically bound form in the virgin ZnO crystals. A single positron lifetime of 182ps is detected in the virgin crystals and attributed to saturated positron trapping at Zn vacancies surrounded by hydrogen atoms. It is demonstrated that a very high amount of hydrogen (up to ˜30at.%) can be introduced into the crystals by electrochemical doping. More than half of this amount is chemically bound, i.e., incorporated into the ZnO crystal lattice. This drastic increase of the hydrogen concentration is of marginal impact on the measured positron lifetime, whereas a contribution of positrons annihilated by electrons belonging to O-H bonds formed in the hydrogen doped crystal is found in coincidence Doppler broadening spectra. The formation of hexagonal shape pyramids on the surface of the hydrogen doped crystals by optical microscopy is observed and discussed.

Research and Development of Crystal Purification for Product of Uranium Crystallization Process

Energy Technology Data Exchange (ETDEWEB)

Yano, K. [Japan Atomic Energy Agency - JAEA (Japan)

2009-06-15

outside of UNH single crystal and that they make no eutectoid with UNH. On the other hand, it is confirmed that sweating and melting-filtration operations were effective in principle by the experiment with uranium and simulated FP system. After that, its effects verified by beaker scale experiments with the system including plutonium and irradiated fuel. Additionally, engineering scale tests were carried out with a Kureha Crystal Purifier (KCP) type testing device to evaluate that its performance was suitable for UNH purification. This work was supported by the Ministry of Education, Culture, Sports, Science and Technology of Japan (MEXT). (authors)

Approach for growth of high-quality and large protein crystals

Energy Technology Data Exchange (ETDEWEB)

Matsumura, Hiroyoshi, E-mail: matsumura@chem.eng.osaka-u.ac.jp [Graduate School of Engineering, Osaka University, Suita, Osaka 565-0871 (Japan); JST (Japan); SOSHO Inc., Osaka 541-0053 (Japan); Sugiyama, Shigeru; Hirose, Mika; Kakinouchi, Keisuke; Maruyama, Mihoko; Murai, Ryota [Graduate School of Engineering, Osaka University, Suita, Osaka 565-0871 (Japan); JST (Japan); Adachi, Hiroaki; Takano, Kazufumi [Graduate School of Engineering, Osaka University, Suita, Osaka 565-0871 (Japan); JST (Japan); SOSHO Inc., Osaka 541-0053 (Japan); Murakami, Satoshi [JST (Japan); SOSHO Inc., Osaka 541-0053 (Japan); Graduate School of Bioscience and Biotechnology, Tokyo Institute of Technology, Nagatsuta, Midori-ku, Yokohama 226-8501 (Japan); Mori, Yusuke; Inoue, Tsuyoshi [Graduate School of Engineering, Osaka University, Suita, Osaka 565-0871 (Japan); JST (Japan); SOSHO Inc., Osaka 541-0053 (Japan)

2011-01-01

Three crystallization methods, including crystallization in the presence of a semi-solid agarose gel, top-seeded solution growth (TSSG) and a large-scale hanging-drop method, have previously been presented. In this study, crystallization has been further evaluated in the presence of a semi-solid agarose gel by crystallizing additional proteins. A novel crystallization method combining TSSG and the large-scale hanging-drop method has also been developed. Three crystallization methods for growing large high-quality protein crystals, i.e. crystallization in the presence of a semi-solid agarose gel, top-seeded solution growth (TSSG) and a large-scale hanging-drop method, have previously been presented. In this study the effectiveness of crystallization in the presence of a semi-solid agarose gel has been further evaluated by crystallizing additional proteins in the presence of 2.0% (w/v) agarose gel, resulting in complete gelification with high mechanical strength. In TSSG the seed crystals are hung by a seed holder protruding from the top of the growth vessel to prevent polycrystallization. In the large-scale hanging-drop method, a cut pipette tip was used to maintain large-scale droplets consisting of protein–precipitant solution. Here a novel crystallization method that combines TSSG and the large-scale hanging-drop method is reported. A large and single crystal of lysozyme was obtained by this method.

Photochemical Formation and Transformation of Birnessite: Effects of Cations on Micromorphology and Crystal Structure.

Science.gov (United States)

Zhang, Tengfei; Liu, Lihu; Tan, WenFeng; Suib, Steven L; Qiu, Guohong; Liu, Fan

2018-05-24

As important components with excellent oxidation and adsorption activity in soils and sediments, manganese oxides affect the transportation and fate of nutrients and pollutants in natural environments. In this work, birnessite was formed by photocatalytic oxidation of Mn2+aq in the presence of nitrate under solar irradiation. The effects of concentrations and species of interlayer cations (Na+, Mg2+, and K+) on birnessite crystal structure and micromorphology were investigated. The roles of adsorbed Mn2+ and pH in the transformation of the photosynthetic birnessite were further studied. The results indicated that Mn2+aq was oxidized to birnessite by superoxide radicals (O2•-) generated from the photolysis of NO3- under UV irradiation. The particle size and thickness of birnessite decreased with increasing cation concentration. The birnessite showed a plate-like morphology in the presence of K+, while exhibited a rumpled sheet-like morphology when Na+ or Mg2+ was used. The different micromorphologies of birnessites could be ascribed to the position of cations in the interlayer. The adsorbed Mn2+ and high pH facilitated the reduction of birnessite to low-valence manganese oxides including hausmannite, feitknechtite, and manganite. This study suggests that interlayer cations and Mn2+ play essential roles in the photochemical formation and transformation of birnessite in aqueous environments.

Anti-solvent co-crystallization of carbamazepine and saccharin.

Science.gov (United States)

Wang, In-Chun; Lee, Min-Jeong; Sim, Sang-Jun; Kim, Woo-Sik; Chun, Nan-Hee; Choi, Guang J

2013-06-25

The co-crystal approach has been investigated extensively over the past decade as one of the most promising methods to enhance the dissolution properties of insoluble drug substances. Co-crystal powders are typically produced by mechanical grinding (neat or wet) or a solution method (evaporation or cooling). In this study, high-purity carbamazepine-saccharin (CBZ-SAC) co-crystals were manufactured by a novel method, anti-solvent addition. Among various solvents, methanol was found to perform well with water as the anti-solvent for the co-crystallization of CBZ and SAC. When water was added to the methanol solution of CBZ and SAC at room temperature under agitation, nucleation of CBZ-SAC co-crystals occurred within 2-3 min. Co-crystallization was complete after 30 min, giving a solid yield as high as 84.5% on a CBZ basis. The effects of initial concentrations, focusing on the SAC/CBZ ratio, were examined to establish optimal conditions. The whole anti-solvent co-crystallization process was monitored at-line via ATR-FTIR analysis of regularly sampled solutions. The nucleation and crystal growth of CBZ-SAC co-crystals were detected by a significant increase in absorption in the range of 2400-2260 cm(-1), associated with the formation of hydrogen bonds between the carbonyl group in CBZ and the N-H of SAC. When CBZ hydrates were formed as impurities during anti-solvent co-crystallization, the hydrogen bonding between methanol and water was reduced greatly, primarily due to the incorporation of water molecules into the CBZ crystal lattice. In conclusion, an anti-solvent approach can be used to produce highly pure CBZ-SAC co-crystal powders with a high solid yield. Copyright © 2013 Elsevier B.V. All rights reserved.

Primary and aggregate color centers in proton irradiated LiF crystals and thin films for luminescent solid state detectors

International Nuclear Information System (INIS)

Piccinini, M; Ambrosini, F; Ampollini, A; Bonfigli, F; Libera, S; Picardi, L; Ronsivalle, C; Vincenti, M A; Montereali, R M

2015-01-01

Proton beams of 3 MeV energy, produced by the injector of a linear accelerator for proton therapy, were used to irradiate at room temperature lithium fluoride crystals and polycrystalline thin films grown by thermal evaporation. The irradiation fluence range was 10 11 -10 15 protons/cm 2 . The proton irradiation induced the stable formation of primary and aggregate color centers. Their formation was investigated by optical absorption and photoluminescence spectroscopy. The F 2 and F 3 + photoluminescence intensities, carefully measured in LiF crystals and thin films, show linear behaviours up to different maximum values of the irradiation fluence, after which a quenching is observed, depending on the nature of the samples (crystals and films). The Principal Component Analysis, applied to the absorption spectra of colored crystals, allowed to clearly identify the formation of more complex aggregate defects in samples irradiated at highest fluences. (paper)

Data formats and procedures for the Evaluated Nuclear Data File, ENDF

International Nuclear Information System (INIS)

Garber, D.; Dunford, C.; Pearlstein, S.

1975-10-01

This report describes the philosophy of the Evaluated Nuclear Data File (ENDF) and the data formats and procedures that have been developed for it. The ENDF system was designed for the storage and retrieval of the evaluated nuclear data that are required for neutronics, photonics and decay heat calculations. This system is composed of several parts that include a series of data processing codes and neutron and photon cross section nuclear structure libraries

Data formats and procedures for the Evaluated Nuclear Data File, ENDF

Energy Technology Data Exchange (ETDEWEB)

Garber, D.; Dunford, C.; Pearlstein, S.

1975-10-01

This report describes the philosophy of the Evaluated Nuclear Data File (ENDF) and the data formats and procedures that have been developed for it. The ENDF system was designed for the storage and retrieval of the evaluated nuclear data that are required for neutronics, photonics and decay heat calculations. This system is composed of several parts that include a series of data processing codes and neutron and photon cross section nuclear structure libraries.

CRECT-J, Input Preparation of Evaluated Data in ENDF-4, ENDF-5 and ENDF-6 Formats

International Nuclear Information System (INIS)

Nakagawa, T.

2000-01-01

Description of program or function: In order to compile evaluated nuclear data in the ENDF format, the computer code CRECTJ has been developed. CRECTJ has two versions: CRECT-J5 treats the data in the ENDF/B-IV and ENDF/B-V format, and CRECTJ6 the data in the ENDF-6 format. These programs have been frequently used to make Japanese Evaluated Nuclear Data Library (JENDL). The program has functions for reading evaluated nuclear data and creating complete files from them. In addition, it also has functions such as arithmetic operations on cross section data, averaging of cross sections, correction of data, and construction of natural element data from its isotopes

Agglomeration Control during Ultrasonic Crystallization of an Active Pharmaceutical Ingredient

Directory of Open Access Journals (Sweden)

Bjorn Gielen

2017-02-01

Full Text Available Application of ultrasound during crystallization can efficiently inhibit agglomeration. However, the mechanism is unclear and sonication is usually enabled throughout the entire process, which increases the energy demand. Additionally, improper operation results in significant crystal damage. Therefore, the present work addresses these issues by identifying the stage in which sonication impacts agglomeration without eroding the crystals. This study was performed using a commercially available API that showed a high tendency to agglomerate during seeded crystallization. The crystallization progress was monitored using process analytical tools (PAT, including focus beam reflectance measurements (FBRM to track to crystal size and number and Fourier transform infrared spectroscopy (FTIR to quantify the supersaturation level. These tools provided insight in the mechanism by which ultrasound inhibits agglomeration. A combination of improved micromixing, fast crystal formation which accelerates depletion of the supersaturation and a higher collision frequency prevent crystal cementation to occur. The use of ultrasound as a post-treatment can break some of the agglomerates, but resulted in fractured crystals. Alternatively, sonication during the initial seeding stage could assist in generating nuclei and prevent agglomeration, provided that ultrasound was enabled until complete desupersaturation at the seeding temperature. FTIR and FBRM can be used to determine this end point.

Local disorder in mixed crystals as viewed by XRPD

International Nuclear Information System (INIS)

Machavariani, V.Sh.; Voronel, A.; Garber, S.; Rubstein, A.; Rosenberg, Yu.; Frenkel, A. I.; Stern, E.A.

2001-01-01

A correlation between precise X-ray powder diffraction patterns and atomic size mismatch in disordered mixed crystals (alloys and ionic crystals) is observed. The anisotropy of the elastic moduli has been taken into account for evaluation of the strain energy density of the mixed crystals revealed in XRPD measurements

New orientation formation and growth during primary recrystallization in stable single crystals of three face-centred cubic metals

International Nuclear Information System (INIS)

Miszczyk, M.; Paul, H.; Driver, J.H.; Maurice, C.

2015-01-01

Graphical abstract: For Ni, Cu and Cu-2%Al and (1 1 0)[0 0 −1] and (1 1 0)[1 −1 −2] initial orientations at the initial stages of recrystallization, the appearance of a specific number of new orientation groups of new grains has been demonstrated. The orientation relations across the recrystallization front are characterized by a high proportion of angles in the range 25–35° and 45–55° around axes mostly grouped about the 〈1 2 2〉, 〈1 1 1〉, 〈1 2 3〉 and 〈1 1 2〉 directions. A local minimum was noted for the disorientation angle densities close to 40° in all cases. For a single isolated nucleus of uniform orientation, the rotation axes are usually grouped around one of the normals of all four {1 1 1} planes but do not (or only rarely) coincide with them. The orientation of the growing new grain quickly transforms through the formation of a first generation twins. The most frequent situation occurs when the normal of the twinning face plane is situated near the rotation axis, around which the crystal lattice of the ‘primary nuclei’ rotates. Based on the anisotropy of grain growth a possible mechanism of orientation generation and grain growth by thermally activation movement of dislocation families, on {1 1 1} planes is proposed. - Abstract: The early stages of recrystallization have been systematically characterized in single crystal metals of medium and low stacking fault energy. Goss {1 1 0}〈0 0 1〉 and brass {1 1 0}〈1 1 2〉 oriented samples of Ni, Cu and Cu–2 wt.% Al alloy were deformed in a channel die to a logarithmic strain of 0.51 to develop a homogeneous structure composed of two sets of symmetrical primary microbands and then lightly annealed. Scanning electron microscopy/electron backscattered diffraction analyses demonstrate a strong relation between as-deformed orientations and the limited number of recrystallized grain orientations. The disorientation angles across the recrystallization front are mostly grouped in

Molecular and crystal structures of the products of crystallization of (N'-furfurylidene)isonicotinoylhydrazide from aqueous solutions of hydrochloric and acetic acids

International Nuclear Information System (INIS)

Chuev, I.I.; Nikonova, L.A.; Atovmyan, E.G.; Utenyshev, A.N.; Aldoshin, S.M.

2001-01-01

Crystals of (N ' -furfurylidene)isonicotinoylhydrazide (I), which have been isolated from a water-methanol solution of hydrochloric acid (Ia) and an aqueous solution (∼50%) of acetic acid (Ib), are studied by X-ray diffraction. In Ia, the nitrogen atom of the pyridine ring is protonated. In the crystal, the intermolecular C=O···HN(Py) hydrogen bonds link the I · H + cations into chains which are bound through centrosymmetric NH···W···Cl - ···W ' ···H ' N ' bridges. In molecule Ib, no protonation occurs; however, its pyridine N atom is blocked by the hydroxyl H atom of a solvate molecule of acetic acid. Crystals Ib have a layered structure. The crystallization water molecule is involved in the formation of three intermolecular hydrogen bonds, namely, those with the H atom of the amide group and the carbonyl O atoms of molecule I and an acetic acid molecule of the neighboring layer

Photography: enhancing sensitivity by silver-halide crystal doping

International Nuclear Information System (INIS)

Belloni, Jacqueline

2003-01-01

The physical chemistry of the silver photography processes, exposure, development and fixing, is briefly summarized. The mechanism of the autocatalytic development by the developer of the clusters produced in silver bromide crystals during the exposure which is controlled by the critical nuclearity of these clusters was understood from pulse radiolysis studies. The effective quantum yield PHI eff of photoinduced silver cluster formation in silver halide microcrystals is usually much lower than the photoionization theoretical limit PHI theor =1 electron-hole pair per photon absorbed, owing to a subsequent very fast intra-crystal recombination of a part of the electron-hole pairs. In order to inhibit this recombination and favor the silver reduction by photo-electrons, the AgX crystals were doped with the formate HCO 2 - as a specific hole scavenger. First, the dopant scavenges the photoinduced hole, thus enhancing the electron escape from the pair recombination. Second, the CO 2 ·- radical so formed transfers an electron to another silver cation, so that the PHI eff limit may be of 2Ag 0 per photon. This Photoinduced Bielectronic Transfer mechanism is strictly proportional to the light quanta absorbed and induces an exceptional efficiency for enhancing the radio- or photographic sensitivity insofar as it totally suppresses the electron-hole recombination

Crystallization in high-level waste glass: A review of glass theory and noteworthy literature

Energy Technology Data Exchange (ETDEWEB)

Christian, J. H. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

2015-08-01

There is a fundamental need to continue research aimed at understanding nepheline and spinel crystal formation in high-level waste (HLW) glass. Specifically, the formation of nepheline solids (K/NaAlSiO₄) during slow cooling of HLW glass can reduce the chemical durability of the glass, which can cause a decrease in the overall durability of the glass waste form. The accumulation of spinel solids ((Fe, Ni, Mn, Zn)(Fe,Cr)₂O₄), while not detrimental to glass durability, can cause an array of processing problems inside of HLW glass melters. In this review, the fundamental differences between glass and solid-crystals are explained using kinetic, thermodynamic, and viscosity arguments, and several highlights of glass-crystallization research, as it pertains to high-level waste vitrification, are described. In terms of mitigating spinel in the melter and both spinel and nepheline formation in the canister, the complexity of HLW glass and the intricate interplay between thermal, chemical, and kinetic factors further complicates this understanding. However, new experiments seeking to elucidate the contributing factors of crystal nucleation and growth in waste glass, and the compilation of data from older experiments, may go a long way towards helping to achieve higher waste loadings while developing more efficient processing strategies.

Crystallization behavior of Zr62Al8Ni13Cu17 Metallic Glass

Directory of Open Access Journals (Sweden)

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.

A Low-Cost System Based on Image Analysis for Monitoring the Crystal Growth Process.

Science.gov (United States)

Venâncio, Fabrício; Rosário, Francisca F do; Cajaiba, João

2017-05-31

Many techniques are used to monitor one or more of the phenomena involved in the crystallization process. One of the challenges in crystal growth monitoring is finding techniques that allow direct interpretation of the data. The present study used a low-cost system, composed of a commercial webcam and a simple white LED (Light Emitting Diode) illuminator, to follow the calcium carbonate crystal growth process. The experiments were followed with focused beam reflectance measurement (FBRM), a common technique for obtaining information about the formation and growth of crystals. The images obtained in real time were treated with the red, blue, and green (RGB) system. The results showed a qualitative response of the system to crystal formation and growth processes, as there was an observed decrease in the signal as the growth process occurred. Control of the crystal growth was managed by increasing the viscosity of the test solution with the addition of monoethylene glycol (MEG) at 30% and 70% in a mass to mass relationship, providing different profiles of the RGB average curves. The decrease in the average RGB value became slower as the concentration of MEG was increased; this reflected a lag in the growth process that was proven by the FBRM.

A formative model for student nurse development and evaluation

Directory of Open Access Journals (Sweden)

A. S. van der Merwe

1996-03-01

Full Text Available Preparing student nurses for the profession is a complex task for nurse educators; especially when dealing with the development of personal and interpersonal skills, qualities and values held in high esteem by the nursing profession and the community they serve. These researchers developed a model for formative evaluation of students by using the principles of inductive and deductive reasoning. This model was implemented in clinical practice situations and evaluated for its usefulness. It seems that the model enhanced the standards of nursing care because it had a positive effect on the behaviour of students and they were better motivated; the model also improved interpersonal relationships and communication between practising nurses and students.

Effects of supporting electrolyte on galvanic deposition of Cu2O crystals

International Nuclear Information System (INIS)

Wang Lida; Liu Guichang; Xue Dongfeng

2011-01-01

Highlights: → The effects of electrolyte on the galvanic deposition of Cu 2 O crystals have been investigated. → The chemical nature of supporting electrolyte plays important roles in the galvanic deposition of Cu 2 O crystals. → Cubic Cu 2 O crystals are formed in chloride electrolytes. → Truncated octahedral Cu 2 O crystals are produced in nitrate, sulfate and fluoride electrolytes. - Abstract: The effects of introduced supporting electrolyte on the galvanic deposition of Cu 2 O crystals have been investigated using scanning electron microscopy (SEM), energy-dispersive X-ray (EDX), X-ray diffraction (XRD). The results show that the chemical nature of supporting electrolytes plays very important roles in the galvanic deposition of Cu 2 O crystals. The chloride stabilizes the (1 0 0) planes of Cu 2 O crystals, resulting in the formation of cubic crystals, while nitrate, sulfate and fluoride stabilize the (1 1 1) planes of Cu 2 O crystals, leading to the deposition of truncated octahedral and octahedral Cu 2 O crystals. It provides a facile way to control the morphology of galvanically obtained Cu 2 O crystals by indirectly adjusting the inorganic adsorption agents.

In Situ Observation of Antisite Defect Formation during Crystal Growth

International Nuclear Information System (INIS)

Kramer, M. J.; Napolitano, R. E.; Mendelev, M. I.

2010-01-01

In situ x-ray diffraction (XRD) coupled with molecular dynamics (MD) simulations have been used to quantify antisite defect trapping during crystallization. Rietveld refinement of the XRD data revealed a marked lattice distortion which involves an a axis expansion and a c axis contraction of the stable C11b phase. The observed lattice response is proportional in magnitude to the growth rate, suggesting that the behavior is associated with the kinetic trapping of lattice defects. MD simulations demonstrate that this lattice response is due to incorporation of 1% to 2% antisite defects during growth.

ENDF-6 Formats Manual. Data Formats and Procedures for the Evaluated Nuclear Data File ENDF/B-VI and ENDF/B-VII

International Nuclear Information System (INIS)

Herman, M.

2009-01-01

In December 2006, the Cross Section Evaluation Working Group (CSEWG) of the United States released the new ENDF/B-VII.0 library. This represented considerable achievement as it was the 1st major release since 1990 when ENDF/B-VI has been made publicly available. The two libraries have been released in the same format, ENDF-6, which has been originally developed for the ENDF/B-VI library. In the early stage of work on the VII-th generation of the library CSEWG made important decision to use the same formats. This decision was adopted even though it was argued that it would be timely to modernize the formats and several interesting ideas were proposed. After careful deliberation CSEWG concluded that actual implementation would require considerable resources needed to modify processing codes and to guarantee high quality of the files processed by these codes. In view of this the idea of format modernization has been postponed and ENDF-6 format was adopted for the new ENDF/B-VII library. In several other areas related to ENDF we made our best to move beyond established tradition and achieve maximum modernization. Thus, the 'Big Paper' on ENDF/B-VII.0 has been published, also in December 2006, as the Special Issue of Nuclear Data Sheets 107 (1996) 2931-3060. The new web retrieval and plotting system for ENDF-6 formatted data, Sigma, was developed by the NNDC and released in 2007. Extensive paper has been published on the advanced tool for nuclear reaction data evaluation, EMPIRE, in 2007. This effort was complemented with release of updated set of ENDF checking codes in 2009. As the final item on this list, major revision of ENDF-6 Formats Manual was made. This work started in 2006 and came to fruition in 2009 as documented in the present report.

ENDF-6 Formats Manual Data Formats and Procedures for the Evaluated Nuclear Data File ENDF/B-VI and ENDF/B-VII

Energy Technology Data Exchange (ETDEWEB)

Herman, M.; Members of the Cross Sections Evaluation Working Group

2009-06-01

In December 2006, the Cross Section Evaluation Working Group (CSEWG) of the United States released the new ENDF/B-VII.0 library. This represented considerable achievement as it was the 1st major release since 1990 when ENDF/B-VI has been made publicly available. The two libraries have been released in the same format, ENDF-6, which has been originally developed for the ENDF/B-VI library. In the early stage of work on the VII-th generation of the library CSEWG made important decision to use the same formats. This decision was adopted even though it was argued that it would be timely to modernize the formats and several interesting ideas were proposed. After careful deliberation CSEWG concluded that actual implementation would require considerable resources needed to modify processing codes and to guarantee high quality of the files processed by these codes. In view of this the idea of format modernization has been postponed and ENDF-6 format was adopted for the new ENDF/B-VII library. In several other areas related to ENDF we made our best to move beyond established tradition and achieve maximum modernization. Thus, the 'Big Paper' on ENDF/B-VII.0 has been published, also in December 2006, as the Special Issue of Nuclear Data Sheets 107 (1996) 2931-3060. The new web retrieval and plotting system for ENDF-6 formatted data, Sigma, was developed by the NNDC and released in 2007. Extensive paper has been published on the advanced tool for nuclear reaction data evaluation, EMPIRE, in 2007. This effort was complemented with release of updated set of ENDF checking codes in 2009. As the final item on this list, major revision of ENDF-6 Formats Manual was made. This work started in 2006 and came to fruition in 2009 as documented in the present report.

Information Literacy Follow-Through: Enhancing Preservice Teachers' Information Evaluation Skills through Formative Assessment

Science.gov (United States)

Seely, Sara Robertson; Fry, Sara Winstead; Ruppel, Margie

2011-01-01

An investigation into preservice teachers' information evaluation skills at a large university suggests that formative assessment can improve student achievement. Preservice teachers were asked to apply information evaluation skills in the areas of currency, relevancy, authority, accuracy, and purpose. The study used quantitative methods to assess…

Solvent-free preparation of co-crystals of phenazine and acridine with vanillin

Energy Technology Data Exchange (ETDEWEB)

Braga, Dario, E-mail: dario.braga@unibo.it [Dipartimento di Chimica ' G.Ciamician' , Universita degli studi di Bologna, Via Selmi 2, 40126 Bologna (Italy); Grepioni, Fabrizia; Maini, Lucia; Mazzeo, Paolo P.; Rubini, Katia [Dipartimento di Chimica ' G.Ciamician' , Universita degli studi di Bologna, Via Selmi 2, 40126 Bologna (Italy)

2010-08-10

Co-crystals of phenazine and acridine with vanillin have been obtained by solvent-free reaction or thermal treatment of the solid reactants: their structures, thermal behaviour and eutectic formation have been investigated via single crystal X-ray diffraction, differential scanning calorimetry (DSC), variable temperature X-ray powder diffraction and hot-stage microscopy (HSM). Polymorph screening of the reagents has also been carried out.

Solvent-free preparation of co-crystals of phenazine and acridine with vanillin

International Nuclear Information System (INIS)

Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Mazzeo, Paolo P.; Rubini, Katia

2010-01-01

Co-crystals of phenazine and acridine with vanillin have been obtained by solvent-free reaction or thermal treatment of the solid reactants: their structures, thermal behaviour and eutectic formation have been investigated via single crystal X-ray diffraction, differential scanning calorimetry (DSC), variable temperature X-ray powder diffraction and hot-stage microscopy (HSM). Polymorph screening of the reagents has also been carried out.

Crystallization and structure of chromium cast iron with addition of Mo and Ni

International Nuclear Information System (INIS)

Pietrowski, S.

1998-01-01

The aim of the presented paper is to show the results of examination of the crystallization process using the method of thermal-derivative analysis (ATD) and the structure examination of chromium cast iron, chromium molybdenum c. i. and chromium molybdenum nickel c.i. It was found that molybdenum in amount over 2 wt % causes the crystallization of eutectic carbides M 23 C 6 and M 6 C. The M 23 C 6 carbide crystallizes upon the crystallization of eutectic carbides M 3 C and M 7 C 3 . It is shown that ATD method facilitates both interpretation and control of the crystallization as well as formation of the cast iron structure at the solid state. (author)

Formative Evaluation of the ACSC Distance Learning Program: A Status Study.

Science.gov (United States)

MacCuish, Donald A.

2001-01-01

Describes a formative evaluation of the Air Command and Staff College (ACSC) distance learning program, which offers professional military education (PME). Highlights include use of the status study methodology; curriculum development; course design; learning theories; instructional systems design; best practices; and student assessment. (LRW)

Photographic appraisal of crystal lattice growth technique

Directory of Open Access Journals (Sweden)

Kapoor D

2005-01-01

Full Text Available Concept of creating mechanical retention for bonding through crystal growth has been successfully achieved in the present study. By using polyacrylic acid, sulphated with sulphuric acid as etchant, abundant crystal growth was demonstrated. Keeping in view the obvious benefits of crystal growth technique, the present SEM study was aimed to observe and compare the changes brought about by different etching agents (phosphoric acid, polyacrylic acid and polyacrylic acid sulphated and to evaluate their advantages and disadvantages in an attempt to reduce iatrogenic trauma caused due to surface enamel alteration. Control and experimental groups were made of 24 and 30 premolars, respectively, for scanning electron microscopic appraisal of normal unetched and etched enamel surface and fracture site and finished surface evaluation. When compared with conventional phosphoric acid and weaker polyacrylic acid, investigations indicated that crystal growth treatment on enamel surface caused minimal iatrogenic trauma and surface alteration were restored to the original untreated condition to a large extent.

Blistering and bubble formation

International Nuclear Information System (INIS)

Roth, J.

1976-01-01

Blister formation in metals has been observed during bombardment with inert-gas ions in the energy range between 1 and 2000 keV at doses of about 10 17 to 10 19 cm -2 . The changes in surface topography and the erosion yields were mainly studied in the scanning electron microscope (SEM). Additionally the release of the implanted gas during blister formation was observed. Recently measurements on single crystals were performed determining simultaneously the implantation profile, the total amount of trapped ions, the depth distribution of the induced lattice damage and the thickness of the covers of the blisters. In several stages of the formation process of blisters the implanted layer was observed in the transmission electron microscope (TEM) showing the formation of gas bubbles. Using the results of all these measurements in this review an attempt is made to develop a model of blister formation combining the effects of hydrostatic pressure in the gas bubbles and lateral stress due to volume swelling. (author)

LiCaAlF sub 6 :Ce crystal: a new scintillator

CERN Document Server

Gektin, A V; Neicheva, S; Gavrilyuk, V; Bensalah, A; Fukuda, T; Shimamura, K

2002-01-01

Scintillation properties of LiCaAlF sub 6 :Ce crystal, well known as the effective UV laser material, is reported. Ce sup 3 sup + emission at 286-305 nm with a single exponential decay time of 35 ns provides a scintillation pulse. Radiation damage in pure and Ce-doped crystals is studied. In contrast to the majority of fluoride crystals, cerium is responsible for the ultradeep traps formation revealing thermostimulated luminescence. Overlapping of color center absorption and Ce sup 3 sup + ion emission bands limits the scintillation efficiency of LiCaAlF sub 6 :Ce at high radiation doses.

MARKETING STRATEGY OF THE UNIVERSITY: FORMATION AND ITS EFFECTIVENESS EVALUATION REALIZATION

OpenAIRE

Natalia К. Shemetova

2015-01-01

The study is aimed at developing an algorithm of formation of university’s marketing strategy and the development of evaluating methods of its effectiveness realization. Despite the competitive expansion of the educational services market and the transition to a system of university self-financing, researchers have not paid due attention to the process of developing the marketing strategy of the university and the evaluation of its effectiveness yet. Methods. The applied methods include the m...

Synthesis, crystal growth, structural and physicochemical studies of novel binary organic complex: 4-chloroaniline–3-hydroxy-4-methoxybenzaldehyde

International Nuclear Information System (INIS)

Sharma, K.P.; Reddi, R.S.B.; Bhattacharya, S.; Rai, R.N.

2012-01-01

The solid-state reaction, which is solvent free and green synthesis, has been adopted to explore the novel compound. The phase diagram of 4-chloroaniline (CA) and 3-hydroxy-4-methoxybenzaldehyde (HMB) system shows the formation of a novel 1:1 molecular complex, and two eutectics on either sides of complex. Thermochemical studies of complex and eutectics have been carried out for various properties such as heat of fusion, entropy of fusion, Jackson's parameters, interfacial energy and excess thermodynamic functions. The formation of molecular complex was also studied by IR, NMR, elemental analysis and UV–Vis absorption spectra. The single crystal of molecular complex was grown and its XRD study confirms the formation of complex and identifies the crystal structure and atomic packing of crystal of complex. Transmission spectra of grown crystal of the complex show 70% transmittance efficiency with cut off wavelength 412 nm. The band gap and refractive index of the crystal of complex have also been studied. - Graphical abstarct: Exploiting phase diagram study and solvent free synthesis a novel compound was synthesized and its single crystal growth, atomic packing, energy band gap and refractive index were studied. Highlights: ► Novel organic complex was synthesized using Green or solvent free synthesis. ► Phase diagram study provided the information to identify the worthy composition of novel complex. ► The single crystal of the sufficient size was grown from the ethanol solution. ► Crystal analysis suggested that the covalent bond is formed between the two parent compounds. ► The transmittance of the crystal was found to be 70% and it was transparent from 412 to 850 nm.

Polarized spectroscopic properties of Er{sup 3+}:Gd{sub 2}SiO{sub 5} crystal and evaluation of Er{sup 3+}:Yb{sup 3+}:Gd{sub 2}SiO{sub 5} crystal as a 1.55 μm laser medium

Energy Technology Data Exchange (ETDEWEB)

Wang, H. [Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); University of Chinese Academy of Sciences, Beijing 100039 (China); Huang, J.H.; Gong, X.H.; Chen, Y.J.; Lin, Y.F.; Luo, Z.D. [Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Huang, Y.D., E-mail: huyd@fjirsm.ac.cn [Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)

2016-10-01

An Er{sup 3+}-doped Gd{sub 2}SiO{sub 5} single crystal with high optical quality has been grown by the Czochralski method. Polarized absorption and fluorescence spectra and fluorescence lifetime of the crystal were measured at room temperature. Intensity parameters, spontaneous emission probabilities, fluorescence branching ratios, and radiative lifetimes were estimated on the basis of the Judd–Ofelt theory. Besides, potentiality of 1.55 μm laser emission in an Er{sup 3+}–Yb{sup 3+} co-doped Gd{sub 2}SiO{sub 5} crystal was evaluated.

Improvement of crystal identification performance for a four-layer DOI detector composed of crystals segmented by laser processing

Science.gov (United States)

Mohammadi, Akram; Inadama, Naoko; Yoshida, Eiji; Nishikido, Fumihiko; Shimizu, Keiji; Yamaya, Taiga

2017-09-01

We have developed a four-layer depth of interaction (DOI) detector with single-side photon readout, in which segmented crystals with the patterned reflector insertion are separately identified by the Anger-type calculation. Optical conditions between segmented crystals, where there is no reflector, affect crystal identification ability. Our objective of this work was to improve crystal identification performance of the four-layer DOI detector that uses crystals segmented with a recently developed laser processing technique to include laser processed boundaries (LPBs). The detector consisted of 2 × 2 × 4mm3 LYSO crystals and a 4 × 4 array multianode photomultiplier tube (PMT) with 4.5 mm anode pitch. The 2D position map of the detector was calculated by the Anger calculation method. At first, influence of optical condition on crystal identification was evaluated for a one-layer detector consisting of a 2 × 2 crystal array with three different optical conditions between the crystals: crystals stuck together using room temperature vulcanized (RTV) rubber, crystals with air coupling and segmented crystals with LPBs. The crystal array with LPBs gave the shortest distance between crystal responses in the 2D position map compared with the crystal array coupled with RTV rubber or air due to the great amount of cross-talk between segmented crystals with LPBs. These results were used to find optical conditions offering the optimum distance between crystal responses in the 2D position map for the four-layer DOI detector. Crystal identification performance for the four-layer DOI detector consisting of an 8 × 8 array of crystals segmented with LPBs was examined and it was not acceptable for the crystals in the first layer. The crystal identification was improved for the first layer by changing the optical conditions between all 2 × 2 crystal arrays of the first layer to RTV coupling. More improvement was observed by combining different optical conditions between all

Research on Rapid Identification and Evaluation Technology for Gas Formation during Underbalanced Drilling

Directory of Open Access Journals (Sweden)

Hao Wu

2017-01-01

Full Text Available The underbalanced drilling (UBD technology has been widely implemented due to its advantages in drilling efficiency improvement and cost reduction. However, this advanced technology requires very special equipment and operational mechanism, which raises multiple challenges to traditional well logging techniques. In this study, a real-time logging system (MWD/LWD and mud logging was developed and utilized during underbalanced drilling, to quickly identify and evaluate gas formation. This advanced system enables fast detection of gas formation and determining the formation type while drilling, by monitoring the changes in gas production. This real-time logging system provides a powerful technical support to the gas reservoir drilling and development. A case study has clearly shown that the interpretation and evaluation results based on the real-time logging data agree well with the results of conventional well logging. Therefore, this advanced real-time logging technique can be utilized as an effective guidance for field operation.

On the growth of calcium tartrate tetrahydrate single crystals

Indian Academy of Sciences (India)

. Calcium formate mixed with formic acid was taken as the supernatant solution. It was observed that the nucleation density was reduced and the size of the crystals was improved to a large extent compared to the conventional way of growing ...

Formation of Degenerate Band Gaps in Layered Systems

Directory of Open Access Journals (Sweden)

Alexey P. Vinogradov

2012-06-01

Full Text Available In the review, peculiarities of spectra of one-dimensional photonic crystals made of anisotropic and/or magnetooptic materials are considered. The attention is focused on band gaps of a special type—the so called degenerate band gaps which are degenerate with respect to polarization. Mechanisms of formation and properties of these band gaps are analyzed. Peculiarities of spectra of photonic crystals that arise due to the linkage between band gaps are discussed. Particularly, it is shown that formation of a frozen mode is caused by linkage between Brillouin and degenerate band gaps. Also, existence of the optical Borrmann effect at the boundaries of degenerate band gaps and optical Tamm states at the frequencies of degenerate band gaps are analyzed.

The structure and properties of vacancies in Si nano-crystals calculated by real space pseudopotential methods

International Nuclear Information System (INIS)

Beckman, S.P.; Chelikowsky, James R.

2007-01-01

The structure and properties of vacancies in a 2 nm Si nano-crystal are studied using a real space density functional theory/pseudopotential method. It is observed that a vacancy's electronic properties and energy of formation are directly related to the local symmetry of the vacancy site. The formation energy for vacancies and Frenkel pair are calculated. It is found that both defects have lower energy in smaller crystals. In a 2 nm nano-crystal the energy to form a Frenkel pair is 1.7 eV and the energy to form a vacancy is no larger than 2.3 eV. The energy barrier for vacancy diffusion is examined via a nudged elastic band algorithm

Channeling and related crystal effects

International Nuclear Information System (INIS)

Uggerhoj, Erik

1995-01-01

Channeling, the interaction of particles with oriented crystals, has been applied in a wide variety of scientific and technological areas. A workshop at Aarhus, Denmark, this summer highlighted progress and future directions. Radiation emission has been explored and linked to coherent bremsstrahlung and other oriented crystal radiations. Dramatic effects have been found for ultra-relativistic electrons with Lorentz factors of 105 6. Single crystals are unique for investigations of quantum electrodynamics in strong external fields because probabilities for processes in axial/ planar fields are determined by the magnitude of these fields in the particle rest frame. Erik Uggerhoj of Aarhus reported on an extensive series of experiments concerning radiation emission, pair production, and shower formation carried out at CERN by the NA43 collaboration. As Vladimir Baier of Novosibirsk and Yuri Kononets of Kurchatov noted, theoretical treatment of these interconnected radiation distributions is challenging and much work needs to be done. In general, the agreement with the CERN experiments is good, but many areas like polarization phenomena and particle production need investigation. Prominent among high energy applications is extraction from accelerators. At the workshop, Alexei Asseev reported on beam extraction using a bent crystal at Serpukhov. Konrad Elsener and Jukka Klem reviewed recent CERN SPS studies driven by the possibility of using crystals for extraction of LHC beams. Thornton Murphy of Fermilab announced a step in that direction, with a demonstration this summer of extraction from the Tevatron at 900 GeV. Bent crystal channeling is also used for handling extracted high energy beams. Niels Doble presented a beautiful example of a beam for the CERN NA48 CP-violation experiment. Yuri Chesnokov reported that beams had been deflected through angles up to 150 milliradians at Serpukhov

Effects of Humidity and Surfaces on the Melt Crystallization of Ibuprofen