The use of natural fluorite as a dosemeter

International Nuclear Information System (INIS)

Mafra Neto, F.

1980-01-01

The possibility of the use of natural fluorite as a dosimeter for X and gama radiations was studied. Its main characteristics such as sensitivity, linearity, fading, standard-deviation, energy dependency, and so on were examined. By the experimental tests, made in the medical area of radiotherapy, we state fluorite as an excellent dosimeter. (Author) [pt

Evaluation of Sulfonate-Based Collectors with Different Hydrophobic Tails for Flotation of Fluorite

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Renji Zheng

2018-02-01

Full Text Available This investigation aims to demonstrate the effects of hydrophobic tails on the affinity and relevant flotation response of sulfonate-based collectors for fluorite. For this purpose, a series of alkyl sulfonates with different hydrophobic tails, namely sodium decanesulfonate (C10, sodium dodecylsulfate (C12, sodium hexadecanesulfonate (C16, and sodium dodecylbenzenesulfonate (C12B were applied. The flotation tests showed that C12 and C12B had a better collecting performance than C10 and C16 at pH < 10, and the flotation recovery of fluorite was higher when adopting C12B as a collector compared with C12 with a strong base. The adsorption behaviors of collectors on the fluorite surface were studied through zeta potential, Fourier transform infrared (FTIR, and X-ray photoelectron spectroscopy (XPS analyses. It was found that the affinity of alkyl sulfonates for fluorite was enhanced with the increase of the alkyl chain length from C10 to C16. The existence of phenyl in the hydrophobic tail of sulfonates could improve its activity for fluorite by reducing its surface tension. The abnormal phenomenon C16 with a high affinity for fluorite had a low collecting performance for fluorite mainly due to its overlong alkyl chain, resulting in low solubility in pulp, which restrained its interaction with fluorite. We concluded that C12B was the most applicable collector for fluorite among these reagents due to its high activity, high solubility, and low cost, which was further substantiated by calculating their molecular frontier orbital energy.

Ab-initio calculation for cation vacancy formation energy in anti-fluorite structure

Science.gov (United States)

Saleel, V. P. Saleel Ahammad; Chitra, D.; Veluraja, K.; Eithiraj, R. D.

2018-04-01

Lithium oxide (Li2O) has been suggested as a suitable breeder blanket material for fusion reactors. Li+ vacancies are created by neutron irradiation, forming bulk defect complex whose extra character is experimentally unclear. We present a theoretical study of Li2O using density functional theory (DFT) with a plane-wave basis set. The generalized gradient approximation (GGA) and local-density approximation (LDA) were used for exchange and correlation. Here we address the total energy for defect free, cation defect, cation vacancy and vacancy formation energy in Li2O crystal in anti-fluorite structure.

The ionic conductivity and defect structure of fluorite-type solid solutions Basub(1-x)Usub(x)Fsub(2+2x)

International Nuclear Information System (INIS)

Ouwerkerk, M.

1986-01-01

The crystal growth and the characterization of the solid solutions Msub(1-x)Usub(x)Fsub(2+2x) (M = Ca, Sr, Ba and Pb) are described. X-ray diffraction and X-ray fluorescence methods have been utilized to determine the U 4+ content of the solid solutions. The incorporation of UF 4 in PbF 2 is found to have a stabilizing effect on the β-PbF 2 (fluorite) structure. A study of the conductivity properties of Basub(1-x)Usub(x)Fsub(2+2x) and of Pbsub(1-x)Usub(x)Fsub(2+2x) is presented. The effect of an anion excess on the diffuse phase transition and the specific heat anomaly of single crystals Msub(1-x)Usub(x)Fsub(2+2x) was studied with impedance spectroscopy and calorimetric measurements. Finally, a study of the fluorite-type solid solutions Basub(1-x)Lasub(x)Fsub(2+x) and Basub(1-x)Usub(x)Fsub(2+2x) using the Thermally Stimulated Depolarization Current (TSDC) technique is presented. (Auth.)

Formation, structure and magnetism of the metastable defect fluorite phases AVO3.5+x (A=In, Sc)

International Nuclear Information System (INIS)

Shafi, Shahid P.; Lundgren, Rylan J.; Cranswick, Lachlan M.D.; Bieringer, Mario

2007-01-01

We report the preparation and stability of ScVO 3.5+x and the novel phase InVO 3.5+x . AVO 3.5+x (A=Sc, In) defect fluorite structures are formed as metastable intermediates during the topotactic oxidation of AVO 3 bixbyites. The oxidation pathway has been studied in detail by means of thermogravimetric/differential thermal analysis and in-situ powder X-ray diffraction. The oxidation of the bixbyite phase follows a topotactic pathway at temperatures between 300 and 400 deg. C in air/carbon dioxide. The range of accessible oxygen stoichiometries for the AVO 3.5+x structures following this pathway are 0.00≤x≤0.22. Rietveld refinements against powder X-ray and neutron data revealed that InVO 3.54 and ScVO 3.70 crystallize in the defect fluorite structure in space group Fm-3 m (227) with a=4.9863(5) and 4.9697(3)A, respectively with A 3+ /V 4+ disorder on the (4a) cation site. Powder neutron diffraction experiments indicate clustering of oxide defects in all samples. Bulk magnetic measurements showed the presence of V 4+ and the absence of magnetic ordering at low temperatures. Powder neutron diffraction experiments confirmed the absence of a long range ordered magnetic ground state. - Graphical abstract: Topotactic oxidation of AVO 3 bixbyite to AVO 3.5 defect fluorite structure followed by in-situ powder X-ray diffraction. The upper structural diagram shows a six coordinated (A/V)-O 6 fragment in bixbyite, the lower structure illustrates the same seven-fold coordinated (A/V)-O 7 cubic environment in the defect fluorite structure

Trace-element and Sr-Nd isotopic evidence for the origin of the Sardinian fluorite mineralization (Italy)

International Nuclear Information System (INIS)

Castorina, F.; Masi, U.; Padalino, G.; Palomba, M.

2008-01-01

The fluorite-bearing hydrothermal mineralization in Sardinia mainly occurs within Paleozoic volcanic and metasedimentary rocks. Only 3 occurrences are located in volcanic and siliciclastic Cenozoic rocks. Most Sardinian fluorites exhibit relatively high rare earth and Y (REY) contents, strong positive Y anomalies, slightly negative Ce and generally positive Eu anomalies. These features indicate that the REY were mobilized mainly from non-carbonate rocks. Neither Sr nor Nd isotopes can be used to date radiometrically the Sardinian fluorites. However, the measured Sr-isotope ratios of the fluorites hosted by Paleozoic rocks fit mixing lines in the 1000/Sr versus 87 Sr/ 86 Sr plot once recalculated at 280 Ma, suggesting that the age inferred for the correction probably represents that of the formation of the fluorite mineralization. Mixing likely occurred between diluted surficial waters and brines circulating mainly through the Lower Paleozoic metasedimentary basement. The Cenozoic fluorites exhibit chemical and isotopic features similar to those of the Paleozoic fluorites, except the Nuraghe Onigu fluorite displaying a possible contribution of Sr from Cenozoic magmatic rocks. The initial ε Nd values of the Paleozoic fluorites fit the age proposed for the formation of the deposits. Moreover, the values suggest that radiogenic Nd was provided to the fluids from the Ordovician siliciclastic basement, except for 3 deposits where the potential source rocks of Nd were mainly Ordovician acidic magmatic rocks. The initial ε Nd values of the Cenozoic fluorites suggest a provenance of Nd essentially from the leaching of Variscan granitoids

Magnetic properties and structural transitions of fluorite-related rare earth osmates Ln3OsO7 (Ln=Pr, Tb)

International Nuclear Information System (INIS)

Hinatsu, Yukio; Doi, Yoshihiro

2013-01-01

Ternary rare-earth osmates Ln 3 OsO 7 (Ln=Pr, Tb) have been prepared. They crystallize in an ortho-rhombic superstructure of cubic fluorite with space group Cmcm. Both of these compounds undergo a structural phase transition at 130 K (Ln=Pr) and 580 K (Ln=Tb). These compounds show complex magnetic behavior at low temperatures. Pr 3 OsO 7 exhibits magnetic transitions at 8 and 73 K, and Tb 3 OsO 7 magnetically orders at 8 and 60 K. The Os moments become one-dimensionally ordered, and when the temperature is furthermore decreased, it provokes the ordering in the Ln 3+ sublattice that simultaneously becomes three-dimensionally ordered with the Os sublattice. - Graphical abstract: Ternary rare-earth osmates Ln 3 OsO 7 (Ln=Pr, Tb) have been prepared. They crystallize in an orthorhombic superstructure of cubic fluorite with space group Cmcm. Both of these compounds undergo a structural phase transition at 130 K (Ln=Pr) and 580 K (Ln=Tb). These compounds show complex magnetic behavior at low temperatures. Pr 3 OsO 7 exhibits magnetic transitions at 8 and 73 K, and Tb 3 OsO 7 magnetically orders at 8 and 60 K. Highlights: ► Ternary rare-earth osmates Ln 3 OsO 7 (Ln=Pr, Tb) with an ordered defect-fluorite structure have been prepared. ► Both of these compounds undergo a structural phase transition at 130 K (Ln=Pr) and 580 K (Ln=Tb). ► These compounds show complex magnetic behavior at low temperatures due to magnetic ordering of Ln and Os.

Thermoluminescence in fluorite: sensitization mechanism

International Nuclear Information System (INIS)

Cruz, M.T. da; Watanabe, S.; Mayhugh, M.R.

1974-01-01

The sensitization of the major glow peaks (approximately to 100 and 200 0 C) in fluorite correlates with population of traps causing higher temperature glow peaks. When considered with supralinearity results, it is concluded that either the sensitization results from an increase in trap-filling efficiencies, or the deeper traps are not filled during irradiation

Factors influencing the determination of fluorite by means of neutron activation analysis

International Nuclear Information System (INIS)

Lutze, H.

1975-01-01

Proceeding from the necessity of a rapid analysis of fluorite by neutron activation of an unprepared drill core the influence of interfering elements, of inhomogeneous fluorite distribution, of the sample volume and of moisture are examined. Recommendations are given to overcome these interferences. (author)

Thermoluminescence in fluorite: sensitization mechanism

Energy Technology Data Exchange (ETDEWEB)

Cruz, M.T. da; Watanabe, S; Mayhugh, M R

1974-11-01

The sensitization of the major glow peaks (approximately to 100 and 200/sup 0/ C) in fluorite correlates with population of traps causing higher temperature glow peaks. When considered with supralinearity results, it is concluded that either the sensitization results from an increase in trap-filling efficiencies, or the deeper traps are not filled during irradiation.

Application of X-ray technique to characterization of fluorite sample

International Nuclear Information System (INIS)

Cancado, R.Z.L.; Luz Ferreira, O. da.

1986-01-01

This investigation had the purpose of characterizing fluorite veins of ''Mineracao Sartor'', in Itaborai region/RJ, which is an excelent geographic position in relation to the consuming market. These studies have in view to give subsidy to future works to the best fluorite utilization. They realized tests with X-rays diffractometer and spectrometer, polarizing microscope and with a mounting of electric circuit to measure the type of semiconductivity. (C.M.C.T.R.) [pt

Nuclear magnetic resonance in superionic conductors with fluorite-type structure; Ressonancia magnetica nuclear em condutores superionicos de estrutura fluorita

Energy Technology Data Exchange (ETDEWEB)

Souto, Sergio Paulo Amaral

1991-12-31

The {sup 19} F NMR relaxation times T{sub 1} and T{sub 2} were measured in ternary and nonstoichiometric compounds with the fluorite-type structure. We have studied the Na{sub 0-4} Y{sub 0-6} F{sub 2-2} crystal in the temperature range 600 K to 900 K, where the crystal has not the fluorite structure. The T{sub 1} values were measured in 2 Larmor frequencies: 20.42 MHz and 34.24 MHz. The results for T{sub 1} were seem to be qualitatively similar to those measured in the system with two inequivalent sublattices. The T{sub 2} measurements, in the Pb{sub O84} Bi{sub 0-16} F{sub 2-16} crystal, were made during temperature cycles in the range of 300 K to 830 K. The difference in activation energy between cooling and heating half cycles, found to be approximately 0.08 eV, appear to be associated with the change in the clusters structure and not to the energy of defect formation. Finally, similar T{sub 2} measurements during temperature cycling was made in K{sub 0-4} Bi{sub 0-6} F{sub 2-2} : 2% Pb F{sub 2} crystal, in the temperature range 300 K to 800 K, but in this case no difference in the cooling and heating results was observed. We also measured, in the same temperature range, the T{sub 1} relaxation time in 3 Larmor frequencies: 11.71 MHz, 20.42 MHz and 34.24 Mhz. This results appear to indicate the existence of two hopping mechanism. (author). 132 refs., 68 figs.

Surface modelling on heavy atom crystalline compounds: HfO2 and UO2 fluorite structures

International Nuclear Information System (INIS)

Evarestov, Robert; Bandura, Andrei; Blokhin, Eugeny

2009-01-01

The study of the bulk and surface properties of cubic (fluorite structure) HfO 2 and UO 2 was performed using the hybrid Hartree-Fock density functional theory linear combination of atomic orbitals simulations via the CRYSTAL06 computer code. The Stuttgart small-core pseudopotentials and corresponding basis sets were used for the core-valence interactions. The influence of relativistic effects on the structure and properties of the systems was studied. It was found that surface properties of Mott-Hubbard dielectric UO 2 differ from those found for other metal oxides with the closed-shell configuration of d-electrons

High-pressure U3O8 with the fluorite-type structure

International Nuclear Information System (INIS)

Zhang, F.X.; Lang, M.; Wang, J.W.; Li, W.X.; Sun, K.; Prakapenka, V.; Ewing, R.C.

2014-01-01

A new high-pressure phase of U 3 O 8 , which has a fluorite-type structure, forms at pressures greater than ∼8.1 GPa that was confirmed by in situ x-ray diffraction (XRD) measurements. The fluorite-type U 3 O 8 is stable at pressures at least up to ∼40 GPa and temperatures to 1700 K, and quenchable to ambient conditions. Based on the XRD analysis, there is a huge volume collapse (>20%) for U 3 O 8 during the phase transition and the quenched high-pressure phase is 28% denser than the initial orthorhombic phase at ambient conditions. The high-pressure phase has a very low compressibility comparing with the starting orthorhombic phase. - Graphical abstract: α-U 3 O 8 is in a layered structure with orthorhombic symmetry, at high pressures, it transformed to a fluorite-type cubic structure. There are a lot of defects in the cubic structure, and it is a new kind of hyperstoichiometric uranium oxide, which is stable at ambient conditions. - Highlights: • A new fluorite-type high-pressure phase was found in hyperstoichometric UO 2 +x (x∼0.8). • The new high-pressure structure is quenchable to ambient conditions. • Pressure driven phase transition in orthorhombic U 3 O 8 was first found

Crystal structure of fluorite-related Ln3SbO7 (Ln=La–Dy) ceramics studied by synchrotron X-ray diffraction and Raman scattering

International Nuclear Information System (INIS)

Siqueira, K.P.F.; Borges, R.M.; Granado, E.; Malard, L.M.; Paula, A.M. de; Moreira, R.L.; Bittar, E.M.; Dias, A.

2013-01-01

Ln 3 SbO 7 (Ln=La, Pr, Nd, Sm, Eu, Gd, Tb and Dy) ceramics were synthesized by solid-state reaction in optimized conditions of temperature and time to yield single-phase ceramics. The crystal structures of the obtained ceramics were investigated by synchrotron X-ray diffraction, second harmonic generation (SHG) and Raman scattering. All samples exhibited fluorite-type orthorhombic structures with different oxygen arrangements as a function of the ionic radius of the lanthanide metal. For ceramics with the largest ionic radii (La–Nd), the ceramics crystallized into the Cmcm space group, while the ceramics with intermediate and smallest ionic radii (Sm–Dy) exhibited a different crystal structure belonging to the same space group, described under the Ccmm setting. The results from SHG and Raman scattering confirmed these settings and ruled out any possibility for the non-centrosymmetric C222 1 space group describing the structure of the small ionic radii ceramics, solving a recent controversy in the literature. Besides, the Raman modes for all samples are reported for the first time, showing characteristic features for each group of samples. - Graphical abstract: Raman spectrum for La 3 SbO 7 ceramics showing their 22 phonon modes adjusted through Lorentzian lines. According to synchrotron X-ray diffraction and Raman scattering, this material belongs to the space group Cmcm. - Highlights: • Ln 3 SbO 7 ceramics belonging to the space groups Cmcm and Ccmm are synthesized. • SXRD, SHG and Raman scattering confirmed the orthorhombic structures. • Ccmm instead of C222 1 is the correct one based on SHG and Raman data

Magnetic properties and structural transitions of fluorite-related rare earth osmates Ln{sub 3}OsO{sub 7} (Ln=Pr, Tb)

Energy Technology Data Exchange (ETDEWEB)

Hinatsu, Yukio, E-mail: hinatsu@sci.hokudai.ac.jp [Division of Chemistry, Graduate School of Science, Hokkaido University, Sapporo 060-0810 (Japan); Doi, Yoshihiro [Division of Chemistry, Graduate School of Science, Hokkaido University, Sapporo 060-0810 (Japan)

2013-02-15

Ternary rare-earth osmates Ln{sub 3}OsO{sub 7} (Ln=Pr, Tb) have been prepared. They crystallize in an ortho-rhombic superstructure of cubic fluorite with space group Cmcm. Both of these compounds undergo a structural phase transition at 130 K (Ln=Pr) and 580 K (Ln=Tb). These compounds show complex magnetic behavior at low temperatures. Pr{sub 3}OsO{sub 7} exhibits magnetic transitions at 8 and 73 K, and Tb{sub 3}OsO{sub 7} magnetically orders at 8 and 60 K. The Os moments become one-dimensionally ordered, and when the temperature is furthermore decreased, it provokes the ordering in the Ln{sup 3+} sublattice that simultaneously becomes three-dimensionally ordered with the Os sublattice. - Graphical abstract: Ternary rare-earth osmates Ln{sub 3}OsO{sub 7} (Ln=Pr, Tb) have been prepared. They crystallize in an orthorhombic superstructure of cubic fluorite with space group Cmcm. Both of these compounds undergo a structural phase transition at 130 K (Ln=Pr) and 580 K (Ln=Tb). These compounds show complex magnetic behavior at low temperatures. Pr{sub 3}OsO{sub 7} exhibits magnetic transitions at 8 and 73 K, and Tb{sub 3}OsO{sub 7} magnetically orders at 8 and 60 K. Highlights: Black-Right-Pointing-Pointer Ternary rare-earth osmates Ln{sub 3}OsO{sub 7} (Ln=Pr, Tb) with an ordered defect-fluorite structure have been prepared. Black-Right-Pointing-Pointer Both of these compounds undergo a structural phase transition at 130 K (Ln=Pr) and 580 K (Ln=Tb). Black-Right-Pointing-Pointer These compounds show complex magnetic behavior at low temperatures due to magnetic ordering of Ln and Os.

[Assessment of Soil Fluorine Pollution in Jinhua Fluorite Ore Areas].

Science.gov (United States)

Ye, Qun-feng; Zhou, Xiao-ling

2015-07-01

The contents of. soil total fluorine (TF) and water-soluble fluorine (WF) were measured in fluorite ore areas located in Jinhua City. The single factor index, geoaccumulation index and health risk assessment were used to evaluate fluorine pollution in soil in four fluorite ore areas and one non-ore area, respectively. The results showed that the TF contents in soils were 28. 36-56 052. 39 mg.kg-1 with an arithmetic mean value of 8 325.90 mg.kg-1, a geometric mean of 1 555. 94 mg.kg-1, and a median of 812. 98 mg.kg-1. The variation coefficient of TF was 172. 07% . The soil WF contents ranged from 0. 83 to 74. 63 mg.kg-1 with an arithmetic mean value of 16. 94 mg.kg-1, a geometric mean of 10. 59 mg.kg-1, and a median of 10. 17 mg.kg-1. The variation coefficient of WF was 100. 10%. The soil TF and WF contents were far higher than the national average level of the local fluorine epidemic occurrence area. The fluoride pollution in soil was significantly affected by human factors. Soil fluorine pollution in Yangjia, Lengshuikeng and Huajie fluorite ore areas was the most serious, followed by Daren fluorite ore area, and in non-ore area there was almost no fluorine pollution. Oral ingestion of soils was the main exposure route. Sensitivity analysis of model parameters showed that children's weight exerted the largest influence over hazard quotient. Furthermore, a significant positive correlation was found among the three kinds of evaluation methods.

Surface modelling on heavy atom crystalline compounds: HfO{sub 2} and UO{sub 2} fluorite structures

Energy Technology Data Exchange (ETDEWEB)

Evarestov, Robert [Department of Quantum Chemistry, St. Petersburg State University, 26 Universitetsky Prospect, Peterhof, St. Petersburg 198504 (Russian Federation)], E-mail: re1973@re1973.spb.edu; Bandura, Andrei; Blokhin, Eugeny [Department of Quantum Chemistry, St. Petersburg State University, 26 Universitetsky Prospect, Peterhof, St. Petersburg 198504 (Russian Federation)

2009-01-15

The study of the bulk and surface properties of cubic (fluorite structure) HfO{sub 2} and UO{sub 2} was performed using the hybrid Hartree-Fock density functional theory linear combination of atomic orbitals simulations via the CRYSTAL06 computer code. The Stuttgart small-core pseudopotentials and corresponding basis sets were used for the core-valence interactions. The influence of relativistic effects on the structure and properties of the systems was studied. It was found that surface properties of Mott-Hubbard dielectric UO{sub 2} differ from those found for other metal oxides with the closed-shell configuration of d-electrons.

Electron paramagnetic resonance and neutron activation study of lanthanide ions behaviour in fluorite. Application to the geochemical study of Montroc and Burc veins (Tarn)

International Nuclear Information System (INIS)

Meary, Alain

1983-01-01

In order to obtain a better understanding of fluorite deposits, rare earth impurities have been analyzed for a large number of samples taken from cross-sections of several low temperature hydrothermal veins; two types of measurements have been used: Electron Paramagnetic Resonance (EPR) and Neutron Activation Analysis (NAA). This enabled us to measure a 'deficit of spins' relative to the total lanthanide concentration, this deficit reveals that the paramagnetic center observed by EPR is not the only mode of incorporation. For Gd no marked deficit is observed; that is the ratio of spin concentrations to total concentration [Gd 3+ ]/[Gd total ] is close to 1 in all the samples; on the other hand, the ratios [Eu 2+ ]/[Eu total ], [Ce 3- F i - ]/[Ce total ], and [Yb 3+ ]/ [Yb total ] exhibit large variations. The first result suggests that the major part of the lanthanides in the samples is incorporated in the crystal lattice and that clustering of lanthanides ions is not important. Deficit of spins observed for Ce and Nd are probably due to the dissociation of paramagnetic complexes Ce 3+ -F i - and Nd 3+ -F i - ; for Eu, it may be attributed to the oxidized state Eu 3+ . Moreover, the sign and the amplitude of the anomaly exhibited by Eu in the normalized lanthanides spectra may be correlated with the majority valence state of Eu in the crystal: a marked positive anomaly belongs to a deficit of paramagnetic divalent Eu and, inversely, if divalent Eu is the majority valence state, the Eu anomaly appears to be negative. The results obtained for the Montroc vein are consistent with a model involving discontinuous injections of hydrothermal solutions. They may be connected to variations of oxygen fugacity arising from cooling of these solutions and from precipitation of sulfides during fluorite precipitation. (author) [fr

Stability of fluorite-type La{sub 2}Ce{sub 2}O{sub 7} under extreme conditions

Energy Technology Data Exchange (ETDEWEB)

Zhang, F.X., E-mail: zhangfx@umich.edu [Department of Earth and Environmental Sciences, The University of Michigan, Ann Arbor, MI 48109 (United States); State Key Laboratory of Metastable Materials Science & Technology, Yanshan University, Qinhuangdao, Hebei 066004 (China); Tracy, C.L. [Department of Materials Science and Engineering, The University of Michigan, Ann Arbor, MI 48109 (United States); Lang, M. [Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37966 (United States); Ewing, R.C. [Department of Geological Sciences, Stanford University, Stanford, CA 94305 (United States)

2016-07-25

The structural stability of fluorite-type La{sub 2}Ce{sub 2}O{sub 7} was studied at pressure up to ∼40 GPa and under hydrothermal conditions of ∼1 GPa and up to 350 °C, respectively, using synchrotron X-ray diffraction (XRD) and Raman scattering measurements. XRD measurements indicated that the fluorite-type La{sub 2}Ce{sub 2}O{sub 7} is not stable at pressures greater than 22.6 GPa and gradually transformed to a high-pressure phase. The high-pressure phase is not stable and changed back to the fluorite-type structure when pressure is released. The La{sub 2}Ce{sub 2}O{sub 7} fluorite is also not stable under hydrothermal conditions and began to react with water at 200–250 °C. Both Raman and XRD results suggest that lanthanum hydroxide La(OH){sub 3} and La{sup 3+}-doped CeO{sub 2} fluorite are the dominant products after hydrothermal treatment. - Graphical abstract: The fluorite-type La{sub 2}Ce{sub 2}O{sub 7} reacted with water at hydrothermal condition (1 GPa, and above 200 °C), and formed rare earth hydroxides. - Highlights: • La{sub 2}Ce{sub 2}O{sub 7} transforms to a metastable phase at pressure higher than 21 GPa. • La{sub 2}Ce{sub 2}O{sub 7} reacts with water at ∼1 GPa and above 200 °C. • The pressure-induced phase transition is reversible.

Diagenetic and post-diagenetic fabrics in the Kamarposht fluorite mine (east of Mazandaran province: Explainaton and genetic interpretation

Directory of Open Access Journals (Sweden)

Faezeh Nabiloo

2017-11-01

barite as massive and vein, abundant galena and near contact between mineralization zones in carbonate host rocks (Elika Fm. and pyrite-bearing coalified shales (base of Shemshak Fm.? as faulted and/or interbedded are all distinctive geological features for the Kamarposht mine. Fluorite mainly occurs as interrupted, dense and voluminous massive bodies with/without galena which have occupied cavities and open spaces between brecciated fragments of dolomitic limestone relative to the form of disseminate grains, veinlets and geode. Massive and voluminous accumulations of barite in dissolution and karstic cavities and also as discordant veins relative to the bedding of the host rock which have been generated radial, breccias and zebra structures in barite ores. Galena occurs as veinlets and breccias with medium to coarse grain size with/without fluorite in dolomitic and silicified host rocks and also as vein-veinlets into and/or rime of massive barites. Discussion Based on field evidences and mode occurrence of ore minerals and ore textures, mineralization in the Kamaposht mine has occurred as syn-diagenetic (primary and post-diagenetic/epigenetic (main fabrics. Ores with disseminate particles of ore minerals, stylolite, geode and tiny veinlets fabrics have been interpreted as primary textures that co-exist with diagenesis of host rocks. These fabrics have been formed under diagenetic processes such as nucleation, re-crystalization and disolution of host rocks by diagenetic phreatic reactions that have caused increasing temperature-pressure due to increasing depth of burial diagenesis (Force et al., 1991; Fontbote and Gorzawski 1990; Rastad and Shariatmadar, 2001; Haeri-Ardakani et al., 2013. The main textures of mineralization in the Kamarposht mine namely open-space filling fabrics including veins and breccias fabrics with replacement, network and zebra textures which are associated with dolomitized and silicified host rock have been caused by late and/or post

Configurational Model for Conductivity of Stabilized Fluorite Structure Oxides

DEFF Research Database (Denmark)

Poulsen, Finn Willy

1981-01-01

The formalism developed here furnishes means by which ionic configurations, solid solution limits, and conductivity mechanisms in doped fluorite structures can be described. The present model differs markedly from previous models but reproduces qualitatively reality. The analysis reported...

A multi-analyzer crystal spectrometer (MAX) for pulsed neutron sources

International Nuclear Information System (INIS)

Tajima, K.; Ishikawa, Y.; Kanai, K.; Windsor, C.G.; Tomiyoshi, S.

1982-03-01

The paper describes the principle and initial performance of a multi-analyzer crystal spectrometer (MAX) recently installed at the KENS spallation neutron source at Tsukuba. The spectrometer is able to make time of flight scans along a desired direction in reciprocal space, covering a wide range of the energy transfers corresponding to the fifteen analyzer crystals. The constant Q or constant E modes of operation can be performed. The spectrometer is particularly suited for studying collective excitations such as phonons and magnons to high energy transfers using single crystal samples. (author)

Resolution of VISION, a crystal-analyzer spectrometer

International Nuclear Information System (INIS)

Seeger, Philip A.; Daemen, Luke L.; Larese, John Z.

2009-01-01

We present both analytic and Monte Carlo calculations of the resolution of VISION, which is a crystal-analyzer spectrometer based on the TOSCA design. The analyzer crystal in VISION is configured to focus in time, radial, and transverse directions ('triple focused'). Previously published analytical results have two serious flaws in the handling of the statistics, which gave misleading results. First, Gaussian distributions were assumed for all resolution components, so that full-width-half-maximum could be used. Not only is this a very poor approximation for most terms, it is also completely unnecessary because standard deviations can be combined in quadrature for any shape distribution (except Lorentzian). The second flaw was the choice of variables that are not independent, so that significant correlations were ignored. An example of the effect of including correlations is that the mosaic spread of the analyzer crystals does not contribute to the resolution in first order. Monte Carlo simulation is not limited to first order, and we find a mild optimum value for mosaic spread. A complete set of six independent variables is: neutron emission time, incident flight-path variation (due to moderator tilt), sample thickness, mean path in the analyzer (due to multiple reflections), sample-to-detector radial distance, and detector thickness. We treat separately the resolution contributions from histogramming and rebinning during data acquisition and reduction, and describe a scheme for VISION that minimizes the effect on resolution. We compare the contributions of the six variables to the total resolution, both analytically and by Monte Carlo simulations of a complete VISION model using the Neutron Instrument Simulation Package (NISP).

Properties of complex tungstates, niobates, translated with fluorite-like structure

International Nuclear Information System (INIS)

Vetkina, S.N.; Zolin, V.F.; Sirotinkin, V.P.; Smirnov, S.A.

1989-01-01

Spectra of ternary tungstates, niobates and tantalates (MeLa 2 WO 7 , La 3 TO 7 ; Me=Ba, Sr; T=Ta, Nb) related to the layered fluorite group are analyzed. The laser pumping and time resolved luminescence are used for selecting spectra of unequivalent centers. The symmetry of the first center is near to the distorted cubic one. The vibrational spectra of europium in Eu 3 NbO 7 and SrLa 2 WO 7 are due to the chain-like structure of niobates and to the net-like structure of tantalates. The stimulated emission of Nd 3+ in powders of BaLa 2 WO 7 and La 3 NbO 7 is observed at wavelengths of 1.07 and 1.063 μm, respectively

High-pressure phase transformations of fluorite-type dioxides

International Nuclear Information System (INIS)

Lin-Gun Liu

1980-01-01

Phase transformations in six fluorite-type dioxides ('TbO 2 ', PbO 2 , 'PrO 2 ', CeO 2 , UO 2 and ThO 2 in the order of increasing cation size, where the quotation marks indicate non-stoichiometric materials) have been investigated in the diamond-anvil press coupled with laser heating. Together with earlier work, the results show that the post-fluorite phase transformations of these dioxides fall into two groups. The smaller cation group (HfO 2 , ZrO 2 and 'TbO 2 ') transforms to a cotunnite or a distorted cotunnite-type structure at pressures in the vicinity of 100 kbar and at about 1000 0 C. The larger cation group (from PbO 2 to ThO 2 ) is believed to transform to a different type of orthorhombic modification at high pressures. It is plausible that this high-pressure phase may possess a Ni 2 Si-related structure, as was observed in ThO 2 and 'PrO 2 ' at pressures greater than 150 and 200 kbar, respectively. (orig./ME)

Direct reading spectrochemical determination of aluminium, iron and silicon in fluorite

International Nuclear Information System (INIS)

Roca, M.

1966-01-01

A quantitative spectrochemical method for the determination of Al, Fe and Si in fluorite has been worked out. The sample was supported in a graphite electrode with crater of 5 mm. in diameter, 2,5 mm deep, and burned by a d.c. are in a direct reading spectrometer. The excitation of samples has been studied without dilution as well as using graphite powder as diluent in the ratios 1:1, 1:4, and 1:9; the latter factor was chosen. Ag, Ca, Co, Cr, Mo and Sn were tested as internal standards. It has not been found any significant inter element effect. It is necessary to use natural fluorite as base material for the standards. (Author) 5 refs

Interacting Frenkel defects at high concentration and the superionic transition in fluorite crystals

International Nuclear Information System (INIS)

March, N.H.; Tosi, M.P.

1980-11-01

A spherical cell model is proposed to account for the explicit concentration dependence of Frenkel defects in an ionic system. In the model, the linearized Debye-Hueckel equation is soluble exactly, subject to the boundary condition that the electric field is zero at the cell boundary R, related to the concentration α of defects by R proportional to csup(-1/3). This screened field is used to calculate the chemical potential, which in turn leads to a condition for the instability of the interacting defect assembly. This condition allows one to calculate the enhancement of the concentration of defects above its Arrhenius value at the point of instability in terms of (a) the critical concentration csub(c), (b) a/R, where a is the radius of defect and (c) the Debye-Hueckel screening length kappasub(c). It is clear from the cell model that this enhancement factor is reduced somewhat in the relevant range of parameters in some of the fluorites from its value in extended Debye-Hueckel theory. It is anticipated that the instability discussed here should afford an upper bound to csub(c) at the superionic transition, within the range of validity of the model. The excess he at capacity csub(p) is also discussed briefly. (author)

Study of genesis in Qahr-Abad fluorite deposit using fluid inclusion, southeast of Saqqez, the Kurdistan province

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Mehrdad Barati

2017-07-01

Department of geology of the Karazmy University. Results Petrography and classification of inclusions: The samples used for the inclusion study were doubly polished sections of fluorite from mineralization stages 1 to 2. A number of inclusion types were identified. These include negative crystals and elongate round, polygonal or irregular shapes with a size range from <1 µm to several tens of µm. Based on their petrographic characteristics at room temperature and phase change characteristics during the heating process, inclusions were grouped into three principal types. Here we just discuss primary and pseudo secondary fluid inclusions, mainly including three fluid inclusions as follows: 1 (vapor + liquid or (L+V and negative crystal fluid inclusions, each of which will provide more believable information for the mineralization hydrothermal fluid. These fluid inclusions in fluorite are, isolated, and irregular or rectangular with 10 μm to 20μm long major axes. They include two phases at room temperature, an aqueous liquid (L and some kind of carbonic vapor phase (V, and have L/ (V +L Fillinge ratio values of 90–95%. Abundant fluid inclusions are present. 2 fluorite that are generally quadrilateral in shape, have 2–20 μm long major axes, and occur as clusters or form trails. These fluid inclusions contain three phases at room temperature depending on the density of the nonaqueous gases in the fluid inclusions and have nonaqueous phase ratios of around 5%. They have major axes 2–15 μm long. They contain two phases and have L/ (V + L volume ratio values around 0.95%. 3 Fluid inclusions in some fluorite are rare. Most of them are isolated and roughly circular. They have 2–10 μm long major axes, and contain four phases as (liquid+ vapor + daughter mineral 1+ daughter mineral 2 or (L+V+S1+S2 and have L/(V + L volume ratios of 90–92% at room temperature. Some twin fluid inclusions were also identified in this type and analyzed during this study

Mineralogical and geochemical characteristics of uranium-rich fluoriteinEl-Missikat mineralized granite,Central Eastern Desert, Egypt

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Mohamed Fahmy Raslan

2009-12-01

Full Text Available A unique, highly radioactive variety of fluor it emineral has been recorded in the uranium occurrence of El-Missikat sheared granite pluton. In this occurrence, the uranium assumes different forms, including its presence as discrete, visible, secondary minerals, rare uraninite and its association with the jasperoid and silica veinlets. However,in some other parts of the sheared zone, the uranium was found to be solely incorporated with fluorite crystals,filling veinlet sand fractures with out any other manife station.This paper focuses ont her elevant mineralogical and geochemical characteristics of this unique fluorite variety.In addition to an investigation with binocular and polarizing microscopes, the separated fluorite grains were analyzed usingan environmental scanning electronmicroscope(ESEM and a field-emission scanning electron microscope.In addition to this,some fluorite crystals were subjected to electron microprobe analyses. While the fluorite accounted for as much as 20% of the sheared granite samples studied, it was found to range from 82 to 96 % in the different size fractions of the separated heavy mineral content. In some parts of the separated fluorite crystals,uranium inquantities of up to 2200 ppm was found to be heterogeneously distributed in the fluoritelattice,regardless of its coloration.

A kinetic study of the replacement of calcite marble by fluorite

Science.gov (United States)

Trindade Pedrosa, Elisabete; Boeck, Lena; Putnis, Christine V.; Putnis, Andrew

2016-04-01

Replacement reactions are relevant in any situation that involves the reequilibration between a solid and an aqueous fluid phase and are commonly controlled by an interface-coupled dissolution-precipitation mechanism (Putnis and Putnis, 2007). These reactions control many large-scale Earth processes whenever aqueous fluids are available, such as during metamorphism, metasomatism, and weathering. An important consequence of coupled dissolution-precipitation is the generation of porosity in the product phase that then allows the infiltration of the fluid within the mineral being replaced. Understanding the mechanism and kinetics of the replacement of carbonates by fluorite has application in earth sciences and engineering. Fluorite (CaF2) occurs in all kinds of rocks (igneous, sedimentary, and metamorphic) and its origin is commonly associated with hydrothermal fluids. Moreover, calcium carbonate has been suggested as a successful seed material for the sequestration of fluoride from contaminated waters (Waghmare and Arfin, 2015). The aim of the present work is to investigate aspects of the replacement of calcium carbonate by fluorite to better understand the mechanism and kinetics of this reaction. Small cubes (˜ 3 × 3 × 3 mm) of Carrara marble (CaCO3 > 99 %) were cut and reacted with a 4 M ammonium fluoride (NH4F) solution for different times (1 to 48 hours) and temperatures (60, 80, 100, and 140 ° C). The microstructure of the product phases was analysed using SEM. The kinetics of replacement was monitored from the Rietveld analysis of X-ray powder diffraction patterns of the products as a function of temperature and reaction time. After reaction, all samples preserved their size and external morphology (a pseudomorphic replacement) and the product phase (fluorite) was highly porous. The activation energy Ea (kJ/mol) of the replacement reaction was empirically determined by both model-fitting and model-free methods. The isoconversional method yielded an

Mammography imaging studies using a laue crystal analyzer

International Nuclear Information System (INIS)

Chapman, D.; Thomlinson, W.; Arfelli, F.

1995-01-01

Synchrotron based mammography imaging experiments have been performed with monochromatic x-rays in which a laue crystal placed after the object being imaged has been used to split the beam transmitted through the object. The X27C R ampersand D beamline at the National Synchrotron Light Source was used with the white beam monochromatized by a double crystal Si(111) monochromator tuned to 18 keV. The imaging beam was a thin horizontal line approximately 0.5 mm high by 100 mm wide. Images were acquired in line scan mode with the phantom and detector both scanned together. The detector for these experiments was an image plate. A thin Si(l11) laue analyzer was used to diffract a portion of the beam transmitted through the phantom before the image plate detector. This ''scatter free'' diffracted beam was then recorded on the image plate during the phantom scan. Since the thin laue crystal also transmitted a fraction of the incident beam, this beam was also simultaneously recorded on the image plate. The imaging results are interpreted in terms of an x-ray schliere or refractive index inhomogeneities. The analyzer images taken at various points in the rocking curve will be presented

Magnetic properties and structural transitions of fluorite-related rare earth osmates Ln3OsO7 (Ln=Pr, Tb)

Science.gov (United States)

Hinatsu, Yukio; Doi, Yoshihiro

2013-02-01

Ternary rare-earth osmates Ln3OsO7 (Ln=Pr, Tb) have been prepared. They crystallize in an ortho-rhombic superstructure of cubic fluorite with space group Cmcm. Both of these compounds undergo a structural phase transition at 130 K (Ln=Pr) and 580 K (Ln=Tb). These compounds show complex magnetic behavior at low temperatures. Pr3OsO7 exhibits magnetic transitions at 8 and 73 K, and Tb3OsO7 magnetically orders at 8 and 60 K. The Os moments become one-dimensionally ordered, and when the temperature is furthermore decreased, it provokes the ordering in the Ln3+ sublattice that simultaneously becomes three-dimensionally ordered with the Os sublattice.

Noise and analyzer-crystal angular position analysis for analyzer-based phase-contrast imaging

Science.gov (United States)

Majidi, Keivan; Li, Jun; Muehleman, Carol; Brankov, Jovan G.

2014-04-01

The analyzer-based phase-contrast x-ray imaging (ABI) method is emerging as a potential alternative to conventional radiography. Like many of the modern imaging techniques, ABI is a computed imaging method (meaning that images are calculated from raw data). ABI can simultaneously generate a number of planar parametric images containing information about absorption, refraction, and scattering properties of an object. These images are estimated from raw data acquired by measuring (sampling) the angular intensity profile of the x-ray beam passed through the object at different angular positions of the analyzer crystal. The noise in the estimated ABI parametric images depends upon imaging conditions like the source intensity (flux), measurements angular positions, object properties, and the estimation method. In this paper, we use the Cramér-Rao lower bound (CRLB) to quantify the noise properties in parametric images and to investigate the effect of source intensity, different analyzer-crystal angular positions and object properties on this bound, assuming a fixed radiation dose delivered to an object. The CRLB is the minimum bound for the variance of an unbiased estimator and defines the best noise performance that one can obtain regardless of which estimation method is used to estimate ABI parametric images. The main result of this paper is that the variance (hence the noise) in parametric images is directly proportional to the source intensity and only a limited number of analyzer-crystal angular measurements (eleven for uniform and three for optimal non-uniform) are required to get the best parametric images. The following angular measurements only spread the total dose to the measurements without improving or worsening CRLB, but the added measurements may improve parametric images by reducing estimation bias. Next, using CRLB we evaluate the multiple-image radiography, diffraction enhanced imaging and scatter diffraction enhanced imaging estimation techniques

Noise and analyzer-crystal angular position analysis for analyzer-based phase-contrast imaging

International Nuclear Information System (INIS)

Majidi, Keivan; Brankov, Jovan G; Li, Jun; Muehleman, Carol

2014-01-01

The analyzer-based phase-contrast x-ray imaging (ABI) method is emerging as a potential alternative to conventional radiography. Like many of the modern imaging techniques, ABI is a computed imaging method (meaning that images are calculated from raw data). ABI can simultaneously generate a number of planar parametric images containing information about absorption, refraction, and scattering properties of an object. These images are estimated from raw data acquired by measuring (sampling) the angular intensity profile of the x-ray beam passed through the object at different angular positions of the analyzer crystal. The noise in the estimated ABI parametric images depends upon imaging conditions like the source intensity (flux), measurements angular positions, object properties, and the estimation method. In this paper, we use the Cramér–Rao lower bound (CRLB) to quantify the noise properties in parametric images and to investigate the effect of source intensity, different analyzer-crystal angular positions and object properties on this bound, assuming a fixed radiation dose delivered to an object. The CRLB is the minimum bound for the variance of an unbiased estimator and defines the best noise performance that one can obtain regardless of which estimation method is used to estimate ABI parametric images. The main result of this paper is that the variance (hence the noise) in parametric images is directly proportional to the source intensity and only a limited number of analyzer-crystal angular measurements (eleven for uniform and three for optimal non-uniform) are required to get the best parametric images. The following angular measurements only spread the total dose to the measurements without improving or worsening CRLB, but the added measurements may improve parametric images by reducing estimation bias. Next, using CRLB we evaluate the multiple-image radiography, diffraction enhanced imaging and scatter diffraction enhanced imaging estimation techniques

The Improvement Effect of Dispersant in Fluorite Flotation: Determination by the Analysis of XRD and FESEM-EDX

Directory of Open Access Journals (Sweden)

Y. J. Li

2015-01-01

Full Text Available Different dispersants were added in the dispersion process to improve the efficiency of fluorite flotation. The types and dosage of dispersant on the improvement of fluorite flotation were investigated; when the sodium polyacrylate (SPA was used as the dispersant and its addition is 0.5%, the concentrate grade of CaF2 increased from 90% to 98% and the fluorite recovery increased from 81% to 85%. Methods of X-ray powder diffraction (XRD, field emission scanning electron microscopy (FESEM, and Energy dispersive X-ray spectrometer (EDX were used to characterize the sample. According to the analysis of results, the optimal sample consisted of CaF2 and very little CaCO3 in the size range of 0–5 μm. It could be concluded that the mechanism of improvement for the concentrate grade and recovery of CaF2 was attributed to the change of potential energy barrier which caused the separation of particles with different charge. All results indicate that SPA has a great potential to be an efficient and cost-effective dispersant for the improvement of fluorite flotation.

Hydrothermal uranium deposits containing molybdenum and fluorite in the Marysvale volcanic field, west-central Utah

Science.gov (United States)

Cunningham, C.G.; Rasmussen, J.D.; Steven, T.A.; Rye, R.O.; Rowley, P.D.; Romberger, S.B.; Selverstone, J.

1998-01-01

Uranium deposits containing molybdenum and fluorite occur in the Central Mining Area, near Marysvale, Utah, and formed in an epithermal vein system that is part of a volcanic/hypabyssal complex. They represent a known, but uncommon, type of deposit; relative to other commonly described volcanic-related uranium deposits, they are young, well-exposed and well-documented. Hydrothermal uranium-bearing quartz and fluorite veins are exposed over a 300 m vertical range in the mines. Molybdenum, as jordisite (amorphous MoS2, together with fluorite and pyrite, increase with depth, and uranium decreases with depth. The veins cut 23-Ma quartz monzonite, 20-Ma granite, and 19-Ma rhyolite ash-flow tuff. The veins formed at 19-18 Ma in a 1 km2 area, above a cupola of a composite, recurrent, magma chamber at least 24 ?? 5 km across that fed a sequence of 21- to 14-Ma hypabyssal granitic stocks, rhyolite lava flows, ash-flow tuffs, and volcanic domes. Formation of the Central Mining Area began when the intrusion of a rhyolite stock, and related molybdenite-bearing, uranium-rich, glassy rhyolite dikes, lifted the fractured roof above the stock. A breccia pipe formed and relieved magmatic pressures, and as blocks of the fractured roof began to settle back in place, flat-lying, concave-downward, 'pull-apart' fractures were formed. Uranium-bearing, quartz and fluorite veins were deposited by a shallow hydrothermal system in the disarticulated carapace. The veins, which filled open spaces along the high-angle fault zones and flat-lying fractures, were deposited within 115 m of the ground surface above the concealed rhyolite stock. Hydrothermal fluids with temperatures near 200??C, ??18OH2O ~ -1.5, ?? -1.5, ??DH2O ~ -130, log fO2 about -47 to -50, and pH about 6 to 7, permeated the fractured rocks; these fluids were rich in fluorine, molybdenum, potassium, and hydrogen sulfide, and contained uranium as fluoride complexes. The hydrothermal fluids reacted with the wallrock resulting in

The orthorhombic fluorite related compounds Ln/sub 3/RuO/sub 7/, Ln=Nd, Sm and Eu

International Nuclear Information System (INIS)

Van Berkel, F.P.F.; Ijdo, D.J.W.

1986-01-01

Fluorite-related Ru(V) compound with composition Ln/sub 3/RuO/sub 7/ have been found. These compounds with space group Cmcm adopt a superstructure of the cubic fluorite structure with a/sub orth/=2a/sub c/, b/sub orth/=c/sub orth/=a/sub c/√2. These compounds have the same structure as La/sub 3/NbO/sub 7/

Spectroscopic and computer modelling studies of mixed-cation superionic fluorites

CSIR Research Space (South Africa)

Netshisaulu, TT

2005-10-19

Full Text Available into the local environments of the Cd and Pb cations (as a function of composition and temperature) in CdF2 (xPbF(2)) mixed-cation superionic fluorites. A high degree of disorder is shown around both cations. However, the extent of disorder is even larger around...

Activated crystals of fluorite type as photochromic mediums for recording of volumetric holograms

International Nuclear Information System (INIS)

Arkhangel'skaya, V.A.; Ashcheulov, Yu.V.; Perfilov, V.N.; Rejterov, V.M.; Sukhanov, V.I.; Feofilov, P.P.

1975-01-01

The paper is a study of the mechanism of photochromism and of the photochromic and holographic properties of fluorides of alkaline earth metals with one and two rare-earth activators. It is shown that the angular selectivity of ''thick'' (d approximately 2-5 mm) crystals is 2-3 angular minutes and that the optimum energy exposures, corresponding to the maximum diffraction efficiency values, are 0.1-1.0 J/cm 2 for singly-activated crystals and 1.0-10 J/cm 2 for crystals with two activators. The diffraction efficiencies of holograms of both types of crystals is in the range of approximately 0.1-0.2%. The experimental data are compared with calculations made for photochromic crystals with pigmentation centres. It is suggested that the materials studied can serve as a basis for measuring volumetric holograms. (author)

Factors controlling the oxide ion conductivity of fluorite and perovskite structured oxides

DEFF Research Database (Denmark)

Mogensen, Mogens Bjerg; Lybye, D.; Bonanos, N.

2004-01-01

Many metal oxides of fluorite and perovskite related structures are oxide ion conductors, which have practical applications in devices such as oxygen sensors, solid oxide fuel cells (SOFC) and electrolysers. Several structural and thermodynamic parameters such as (1) critical radius of the pathway...... such parameters for fluorite and perovskite oxides by considering their sensitivities to the individual ionic radii. Based on experimental data available in the literature, it is argued that lattice distortion (lattice stress and deviation from cubic symmetry) due to ion radii mismatch determines the ionic...... conductivity to a very large extent, and that lattice distortion is of much greater importance than many other proposed parameters. In case of the perovskites, the charge of the B-site ion is also of major importance. (C) 2004 Published by Elsevier B.V....

Effects of quartz on crystallization behavior of mold fluxes and microstructural characteristics of flux film.

Science.gov (United States)

Lei, Liu; Xiuli, Han; Mingduo, Li; Di, Zhang

2018-01-01

Mold fluxes are mainly prepared using cement clinker, quartz, wollastonite, borax, fluorite, soda ash and other mineral materials. Quartz, as one of the most common and essential materials, was chosen for this study to analyze itseffects on crystallization temperature, critical cooling rate, crystal incubation time, crystallization ratio and phases of flux film. We used the research methods of process mineralogy with the application of the single hot thermocouple technique, heat flux simulator, polarizing microscope, X-ray diffraction, etc. Results: By increasing the quartz content from 16 mass% to 24 mass%, the crystallization temperature, critical cooling rate and crystallization ratio of flux film decreased, and the crystal incubation time was extended. Meanwhile, the mineralogical structure of the flux film changed, with a large amount of wollastonite precipitation and a significant decrease in the cuspidine content until it reached zero. This showed a steady decline in the heat transfer control capacity of the flux film. The reason for the results above is that, by increasing the quartz content, the silicon-oxygen tetrahedron network structure promoted a rise in viscosity and restrained ion migration, inhibiting crystal nucleation and growth, leading to the weakening of the crystallization and a decline in the crystallization ratio.

Solid thermoluminescent dosemeter of sodium tetraborate and brazilian fluorite sensible to thermal neutrons

International Nuclear Information System (INIS)

Fratin, L.; Cruz, M.T. da

1987-01-01

A solid termoluminescent dosemeter of sodium tetraborate and brazilian fluorite sensible to thermal neutrons is described. The nuclears reactions 1) 10 B + n → 7 Li + He + Q1 (6,1%) where: Q1=2,79 MeV and Eα1 = 1,758 MeV and 2) 10 B + n → 7 Li* + 4 He + Q2 (93,9%) where: Q2 = 2,316 MeV and E2α 2 = 1,474 MeV are responsible by the thermoluminescent response of the thermal neutrons dosemeters. The stages in the fabrication process of this dosemeter of which are:1) sodium tetraborate vitrification, 2) mixture and pressing 3) sintering are cited. The obtainment of a natural fluorite dosemeter with sodium chloride is also shown. (C.G.C.) [pt

Measurements of CaF2 concentration in fluorite ore using thermoluminescence techniques

International Nuclear Information System (INIS)

Lembo, L.; Maestri, G.; Pimpinella, M.; Benzi, V.; Muntoni, C.

1990-01-01

Fluorite powder is produced by means of a flotation process on crude ore extracted by the mines. A full automation of the flotation plant would reduce the operating cost and improve the quality and recovery of fluorite production. However, taking into account that the efficiency of a flotation cycle is directly dependent on the CaF 2 content in the concentrate and tail products, this automation requires a quasi-real-time quantitative analysis of CaF 2 concentration in the floated pulp. The feasibility was studied of using a thermoluminescence technique as an on-line analysis method to measure the CaF 2 concentration during the flotation cycle. A first set of experimental conditions to determine CaF 2 content in acid-grade fluorspar has been already developed and the preliminary results so far obtained are presented. (author)

Importance of surface structure on dissolution of fluorite

DEFF Research Database (Denmark)

Godinho, Jose; Piazolo, Sandra; Balic Zunic, Tonci

2014-01-01

forming the initial surface and its inclination to the closest stable planes, which are specific for each surface orientation. During an initial dissolution regime dissolution rates decrease significantly, even though the total surface area increases. During a second dissolution regime, some surfaces...... by the relative stability of the planes and type of edges that constitute a surface needs to be considered. Significant differences between dissolution rates calculated based on surface area alone, and based on surface reactivity are expected for materials with the fluorite structure....

Selective Separation of Fluorite, Barite and Calcite with Valonea Extract and Sodium Fluosilicate as Depressants

Directory of Open Access Journals (Sweden)

Zijie Ren

2017-02-01

Full Text Available Fluorite, barite and calcite are important industry minerals. However, they often co-exist, presenting difficulty in selectively separating them due to their similar surface properties. In this study, valonea extract and sodium fluosilicate were used as depressants to selectively separate them by flotation, with sodium oleate as the collector. The single mineral flotation results showed that valonea extract displayed the strongest depression on calcite, while sodium fluosilicate displayed the strongest depression on barite. These two depressants allowed selective separation of the three minerals through sequential flotation. The flotation of mixed minerals showed that 94% of the calcite was successfully depressed by the valonea extract, and 95% recovery of the fluorite was achieved in the subsequent flotation with sodium fluosilicate depressing barite. The different depressant–mineral interactions were investigated via electro-kinetic studies and molecular dynamics (MD simulations using the Materials Studio 6.0 program. The valonea extract exhibited the strongest adsorption on the calcite surface, and sodium fluosilicate exhibited the strongest adsorption on the barite surface, which prevented oleate species from reacting with Ca2+ or Ba2+ surface sites. This study provides useful guidance for how to process fluorite, barite and calcite resources.

Geochemical characterization of rare earth elements from fluorite deposits of Tangua district - RJ

International Nuclear Information System (INIS)

Coelho, C.E.S.; Dardenne, M.A.

1987-01-01

The Tangua fluorite vein-type deposits are related to an alkaline complex of the same name, and situated in the District of Itaborai, in the State of Rio de Janeiro. The plutonic body of nepheline syenites (Tangua Massif) intrudes basement gneisses, with dykes and sills of trachitic and phonolitic nature of hundreds of meters in length and centimeters to tens of meters in thickness. The fluorite veins are emplaced both in gneisses and alkaline rocks (plutonic body and dykes) in NE-ENE structures created or reactivated during the opening of the South Atlantic Ocean. The geochemical study of rare earth elements reveals that these mineralizations show very low contents in these elements, and a relatively high fractionation spectres. In the deposit environment, four mineralization phases were differenciated, with the first one being considered as the initial solution; the second one characterized by a new europium rich-solution; the third one, representing the evolution of this new solution, but in a reducing environment, with precipitation of pyrite; and the last one, representing a new batch of the initial solution. As a consequence of the REE's and fluid inclusions studies, we are able to suggest an origen by weathering of the country rocks due to superficial meteorics solutions along faults and fractures, that when heated in deep environments, promote lixiviation of silica and fluorine and precipitate the fluorites when their ascending movement comes to an end. (author) [pt

Investigation of thermally induced anion disorder in fluorites using neutron scattering techniques

DEFF Research Database (Denmark)

Hutchings, M T; Clausen, Kurt Nørgaard; Dickens, M H

1984-01-01

Some materials with the fluorite structures show a pronounced specific heat anomaly well below their melting temperature. This anomaly is a consequence of lattice disorder and is associated with the onset of fast-ion conduction. This paper presents the results of a series of experiments in which...

INAA in the determination of the elemental constituents of a natural fluorite

International Nuclear Information System (INIS)

Balogun, F.A.; Tubosun, I.A.; Adesanmi, C.A.; Ajao, J.A.; Akanle, A.O.; Spyrou, N.M.; Ojo, J.O.

1997-01-01

A complementary use of the comparative and the semi-absolute variations of instrumental neutron activation analysis (INAA) has enabled us to determine 22 different elements in a sample of natural fluorite originating from the younger granite province of Nigeria. The mineral has a brownish purple appearance with some veinlets having a deep purple coloration. Of all the 22 elements measured, Fe (851.36 ppm), Sb (7.69 ppm), Ag (87.4 ppm), Hg (2.71 ppm) and Se (1.97 ppm) are found to be exclusive to the veinlets while Au (109.15 ppm), Co (2.15 ppm) and W (173.20 ppm) are concentrated in the main matrix of the fluorite. With the aid of the semi-absolute method, it was possible to measure the Au concentration in the IAEA Soil-7 reference material to be 56.83±5.87% ppm. A qualitative electron microprobe analysis (EMA) showed that the bulk of the matrix is composed mainly of Ca and F, as expected. (author)

Transmission electron microscopic study of pyrochlore to defect-fluorite transition in rare-earth pyrohafnates

Energy Technology Data Exchange (ETDEWEB)

Karthik, Chinnathambi, E-mail: Karthikchinnathambi@boisestate.edu [Department of Materials Science and Engineering, Boise State University, 1910 University drive, Boise, ID 83725 (United States); Center for Advanced Energy Studies, 995 University Blvd, Idaho Falls, ID 83415 (United States); Anderson, Thomas J. [Department of Materials Science and Engineering, Boise State University, 1910 University drive, Boise, ID 83725 (United States); Gout, Delphine [Oak Ridge National Lab, Neutron Scattering Science Division, Oak Ridge, TN (United States); Ubic, Rick [Department of Materials Science and Engineering, Boise State University, 1910 University drive, Boise, ID 83725 (United States); Center for Advanced Energy Studies, 995 University Blvd, Idaho Falls, ID 83415 (United States)

2012-10-15

A structural transition in rare earth pyrohafnates, Ln{sub 2}Hf{sub 2}O{sub 7} (Ln=Y, La, Pr, Nd, Tb, Dy, Yb and Lu), has been identified. Neutron diffraction showed that the structure transforms from well-ordered pyrochloric to fully fluoritic through the lanthanide series from La to Lu with a corresponding increase in the position parameter x of the 48f (Fd3{sup Macron }m) oxygen site from 0.330 to 0.375. As evidenced by the selected area electron diffraction, La{sub 2}Hf{sub 2}O{sub 7}, Pr{sub 2}Hf{sub 2}O{sub 7} and Nd{sub 2}Hf{sub 2}O{sub 7} exhibited a well-ordered pyrocholoric structure with the presence of intense superlattice spots, which became weak and diffuse (in Dy{sub 2}Hf{sub 2}O{sub 7} and Tb{sub 2}Hf{sub 2}O{sub 7}) before disappearing completely as the series progressed towards the Lu end. High resolution electron microscopic studies showed the breakdown of the pyrochlore ordering in the form of antiphase domains resulting in diffused smoke-like superlattice spots in the case of Dy{sub 2}Hf{sub 2}O{sub 7} and Tb{sub 2}Hf{sub 2}O{sub 7}. - Graphical abstract: Transmission electron microscopic studies showed the ordered pyrochlore to defect fluorite transition in rare-earth pyrohafnates to occur via the formation of anti-phase domains to start with. Highlights: Black-Right-Pointing-Pointer Pyrochlore to fluorite structural transition in rare earth pyrohafnates. Black-Right-Pointing-Pointer La{sub 2}Hf{sub 2}O{sub 7}, Pr{sub 2}Hf{sub 2}O{sub 7} and Nd{sub 2}Hf{sub 2}O{sub 7} showed well ordered pyrochlore structure. Black-Right-Pointing-Pointer Short range ordering in Dy{sub 2}Hf{sub 2}O{sub 7} and Tb{sub 2}Hf{sub 2}O{sub 7}. Black-Right-Pointing-Pointer Break down of pyrochlore ordering due to antiphase boundaries. Black-Right-Pointing-Pointer Rest of the series showed fluoritic structure.

Crystal structure and charge density analysis of Li2NH by synchrotron X-ray diffraction

International Nuclear Information System (INIS)

Noritake, T.; Nozaki, H.; Aoki, M.; Towata, S.; Kitahara, G.; Nakamori, Y.; Orimo, S.

2005-01-01

Complex hydrides, such as lithium amide (LiNH 2 ) and lithium imide (Li 2 NH), have recently been noticed as one of the most promising materials for reversible hydrogen storage. In this paper, we reveal the bonding nature of hydrogen in Li 2 NH crystal by synchrotron powder X-ray diffraction measurement at room temperature. The crystal structure was refined by Rietveld method and the charge density distribution was analyzed by maximum entropy method (MEM). The Li 2 NH crystal is anti-fluorite type structure (space group Fm3-bar m) consisting of Li and NH. Hydrogen atom occupies randomly the 48h (Wyckoff notation) sites around N atom. The refined lattice constant is a=5.0742(2)A. The charge density distribution around NH anion in Li 2 NH is almost spherical. The number of electrons within the sphere around the Li and NH is estimated from the obtained charge density distribution. As the result, the ionic charge is expressed as [Li 0.99+ ] 2 [NH] 1.21- . Therefore, it is confirmed experimentally that Li 2 NH is ionically bonded

Geo economical studies of Mina Florencia (Fluorite)

International Nuclear Information System (INIS)

Gomez Rifas, C.; Mari, C.; Theune, C.; Bosse, R.

1982-01-01

This report describes the works of Prospecting of Fluorite in Mina Florencia, in Maldonado Province. The project began in January of 1981, with the elaboration of a regional geologic cartography scale 1/20.000 of an area of 90,85 kilometers and cartography detailed scale 1/5.000 of the immediate area to Mina Florencia (6 kilometer that demonstrated the existence other veins of similar characteristic of the mine in exploration. Later on they were carried out geophysical studies (resistividad and electromagnetism, under the direction of the geophysical Fritz R. Haut of the BGR). The main geophysical anomalies inside the mining concession was studied by mechanical well, which results were showed in this report.

The fluorite-pyrochlore transformation of Ho2-yNdyZr2O7

International Nuclear Information System (INIS)

Clements, Richard; Hester, James R.; Kennedy, Brendan J.; Ling, Chris D.; Stampfl, Anton P.J.

2011-01-01

Twelve members of the Ho 2-y Nd y Zr 2 O 7 series, prepared using conventional solid state methods, have been characterised by neutron powder diffraction. Ho 2 Zr 2 O 7 has a defect fluorite structure whereas Nd 2 Zr 2 O 7 is found to adopt the ordered pyrochlore structure with the composition induced fluorite-pyrochlore transformation occurring near y=1. Rietveld analysis on the neutron data for all the compositions reveals an increase in lattice parameter as a function of y across the entire series, with a small discontinuity associated with the transformation. The neutron profile results suggest that domains of pyrochlore-type initially begin to form before crystallising into a separate phase, and therefore that anion and cation ordering processes are distinct. There is a strong correlation between the extent of disorder in the anion sublattice and the x-parameter of 48f oxygen. These results point the way to a better understanding of the stability observed in pyrochlore structures. - Graphical abstract: Neutron diffraction profiles for Nd 2-y Ho y Zr 2 O 7 type oxides reveal details of the transformation from the ordered pyrochlore structure (y=0) to the disordered fluorite structure (y=2). Highlights: → Structures of twelve members of the Ho 2-y Nd y Zr 2 O 7 series studied using neutron powder diffraction. → Domains of pyrochlore-type materials form at low doping levels. → Higher doping stabilises the pyrochlore. → Anion and cation ordering processes are distinct.

Intricate disorder in defect fluorite/pyrochlore: a concord of chemistry and crystallography

Czech Academy of Sciences Publication Activity Database

Simeone, D.; Thorogood, G.J.; Huo, D.; Luneville, L.; Baldinozzi, G.; Petříček, Václav; Porcher, F.; Ribis, J.; Mazerolles, L.; Largeau, L.; Berar, J.F.; Surble, S.

2017-01-01

Roč. 7, Jun (2017), 1-7, č. článku 3727. ISSN 2045-2322 Institutional support: RVO:68378271 Keywords : disorder * atomic scale * metallic allys * oxides * fluorite/pyrochlore Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 4.259, year: 2016

Continental basinal origin of ore fluids from southwestern Massif central fluorite veins (Albigeois, France): evidence from fluid inclusion and stable isotope analyses

International Nuclear Information System (INIS)

Munoz, M.; Boyce, A.J.; Courjault-Rade, P.; Fallick, A.E.; Tollon, F.

1999-01-01

The most important fluorspar mining district in France is located in the Palaeozoic basement of the Albigeois in southwestern French Massif Central. The massive fluorite is hosted within large E-W striking fractures, crosscutting Cambro-Ordovician clastics, associated with large zones of hypersilicified tectonic breccia which form the wall of the mined deposits. Fluid inclusion data for pre-fluorite and fluorite stage fluids have salinities between 20-26 wt% NaCl equiv., with homogenisation temperatures between 85-170C. Furthermore, low first ice melting temperatures (around -50C) indicates the presence of significant CaCl 2 and possibly MgCl 2 together with NaCl. Calculated fluid δ 18 O for pre-fluorite quartz ranges from -9.1per thousand to -5.2per thousand, with δD between -55per thousand to -64per thousand, placing the data directly on the present day meteoric water line. Fluorite stage fluids have δ 18 O between +0.1per thousand to +3.2per thousand, and δD ranging from -53per thousand to -75per thousand, indicating an interacted meteoric fluid origin. Combining the fluid inclusion and stable isotope data illustrates that the main fluorite depositing fluid has characteristics typical of a basinal brine. The authors have no evidence that a magmatic system was involved in the deposit genesis. The proposed model highlights that mineralisation was related to major Mesozoic extensional events coinciding with the gradual opening of the Atlantic and Tethys oceans. In order to account for the chemistry of the fluids, and the siting of the deposits, the authors postulate a genetic relationship with local, continental, evaporite-bearing basins coincident with, and controlled by the E-W fractures. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

Kinetic characterization of the first peak of natural fluorite from low ...

African Journals Online (AJOL)

Fluorite samples were irradiated with a low dose-rate (40 μGys-1 ) β- irradiation source to a test dose of 1.2 mGy and the heating rates of β = 1,3 and 5o Cs were considered, in order to minimize the effect of temperature lag. The role of thermal quenching (W) was investigated by evaluating the activation energy using the ...

Application of mathematical statistics methods to study fluorite deposits

International Nuclear Information System (INIS)

Chermeninov, V.B.

1980-01-01

Considered are the applicability of mathematical-statistical methods for the increase of reliability of sampling and geological tasks (study of regularities of ore formation). Compared is the reliability of core sampling (regarding the selective abrasion of fluorite) and neutron activation logging for fluorine. The core sampling data are characterized by higher dispersion than neutron activation logging results (mean value of variation coefficients are 75% and 56% respectively). However the hypothesis of the equality of average two sampling is confirmed; this fact testifies to the absence of considerable variability of ore bodies

AACSD: An atomistic analyzer for crystal structure and defects

Science.gov (United States)

Liu, Z. R.; Zhang, R. F.

2018-01-01

We have developed an efficient command-line program named AACSD (Atomistic Analyzer for Crystal Structure and Defects) for the post-analysis of atomic configurations generated by various atomistic simulation codes. The program has implemented not only the traditional filter methods like the excess potential energy (EPE), the centrosymmetry parameter (CSP), the common neighbor analysis (CNA), the common neighborhood parameter (CNP), the bond angle analysis (BAA), and the neighbor distance analysis (NDA), but also the newly developed ones including the modified centrosymmetry parameter (m-CSP), the orientation imaging map (OIM) and the local crystallographic orientation (LCO). The newly proposed OIM and LCO methods have been extended for all three crystal structures including face centered cubic, body centered cubic and hexagonal close packed. More specially, AACSD can be easily used for the atomistic analysis of metallic nanocomposite with each phase to be analyzed independently, which provides a unique pathway to capture their dynamic evolution of various defects on the fly. In this paper, we provide not only a throughout overview on various theoretical methods and their implementation into AACSD program, but some critical evaluations, specific testing and applications, demonstrating the capability of the program on each functionality.

Effect of natural irradiation in fluorites: possible implications for nuclear waste management?

Czech Academy of Sciences Publication Activity Database

Vlček, V.; Skála, Roman; Goliáš, V.; Drahokoupil, Jan; Čížek, J.; Strnad, L.; Ederová, J.

2012-01-01

Roč. 57, č. 1 (2012), s. 45-52 ISSN 1802-6222 R&D Projects: GA ČR GA106/07/0805; GA AV ČR KAN300100801 Institutional research plan: CEZ:AV0Z30130516 Keywords : fluorite * irradiation * X-ray diffraction * differential scanning calorimetry * defects * real structure Subject RIV: DB - Geology ; Mineralogy Impact factor: 0.804, year: 2012

Phase transition of the orthorhombic fluorite-related compounds Ln{sub 3}IrO{sub 7} (Ln = Pr, Nd, Sm, Eu)

Energy Technology Data Exchange (ETDEWEB)

Hinatsu, Yukio, E-mail: hinatsu@sci.hokudai.ac.j [Division of Chemistry, Graduate School of Science, Hokkaido University, Sapporo 060-0810 (Japan); Doi, Yoshihiro; Nishimine, Hiroaki; Wakeshima, Makoto [Division of Chemistry, Graduate School of Science, Hokkaido University, Sapporo 060-0810 (Japan); Sato, Mineo [Department of Chemistry and Chemical Engineering, Faculty of Engineering, Niigata University, 8050 Ikarashi 2-nocho, Niigata 950-2181 (Japan)

2009-12-04

Rare earth iridium oxides Ln{sub 3}IrO{sub 7} (Ln = Pr, Nd, Sm, and Eu) were prepared and their structures were determined by X-ray diffraction measurements. At room temperature, Pr{sub 3}IrO{sub 7} crystallized in an orthorhombic superstructure of cubic fluorite with space group Cmcm. The differential thermal analysis (DTA) and specific heat measurements for Ln{sub 3}IrO{sub 7} (Ln = Pr, Nd, Sm, and Eu) showed a phase transition at 262, 342, 420, and 485 K, respectively. At low temperatures, Ln{sub 3}IrO{sub 7} crystallized in a monoclinic structure with the space group P2{sub 1}/n. The transition temperatures increased with decreasing the ionic radius of rare earths, which indicates that the transition is stress-induced and occurs with the lattice contraction on cooling. These results for Ln{sub 3}IrO{sub 7} were compared with the phase transitions observed for Ln{sub 3}MoO{sub 7}, Ln{sub 3}RuO{sub 7}, Ln{sub 3}ReO{sub 7}, and Ln{sub 3}OsO{sub 7}.

U-Th/He ages of fluorite mineralizations of the Tangua alkaline intrusion; Idades U-Th/He das mineralizacoes de fluorita da intrusao alcalina de Tangua

Energy Technology Data Exchange (ETDEWEB)

Geraldes, M.C.; Vargas, T., E-mail: geraldes@uerj.br, E-mail: vargas@uerj.br [Universidade do Estado do Rio de Janeiro (UERJ), RJ (Brazil). Faculdade de Geologia; Evans, N., E-mail: Noreen.Evans@csiro.au [CSIRO and Curtin University for Technology, Western Australia (Australia); Nummer, A.R., E-mail: nummer@ufrrj.br [Universidade Federal Rural do Rio de Janeiro (DEGEOC/IA/UFRRJ), RJ (Brazil)

2015-07-01

The Tangua massif is part of a group of alkaline complexes that occurs in an extensive zone of faults and E-W lineaments and includes the Brazilian Southeastern Rift. This work presents U-He ages of the fluorite mineralization. The Tangua alkaline massif is emplaced in coarse-grained biotite gneiss (Oriental Domain, central portion of the Ribeira belt). Cataclastic gneiss with intense weathering are restricted to the intrusion contacts. The alkaline body is comprised of pulaskites and umptekites, nephelinesyenites, foiaites, and pseudoleucite foiaites and is cut by phonolite dykes, trachytes and alkaline lamprophyres. In the locality of Barbosao, veins of fluorite occur, accompanied by silica and pyrite within trachyte dykes. These veins are parallel to the gneiss foliation (N 50 - 70 E) with an average thickness of 30 cm and the fluorite contains limonite and manganese oxides inclusions. The U-He ages range from <2Ma to 73Ma. The older age is coherent with 80-65 ma range of K-Ar ages reported in the literature. The veins of fluorite crosscut the lithologies associated with shear zones, and are important to economic exploration in the region. The petrographic and U-Th/He sating studies indicate the fluorite formation coeval to alkaline intrusion and meteoric water fluid circulation recently. (author)

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

International Nuclear Information System (INIS)

Hoennicke, M. G.; Cusatis, C.

2007-01-01

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

Coagulation of fines in fluorite froth flotation; Coagulacion de finos en la flotacion de la fluorita

Energy Technology Data Exchange (ETDEWEB)

Sarquis, P. E.; Gonzalez, M.; Moyano, A.; Bazan, V.

2011-07-01

Fluorite, a valuable mineral in the metallurgical industry, can be found together with silicates, carbonates and oxides in ore deposits. Commercial concentrates with more than 95 % of CaF{sub 2} are obtained processing the mineral in flotation plants and using oleic acid as fluorite collector. Depressor reagents such as sodium silicate, tannin and sodium carbonate are commonly employed to allow the oleic acid selective performance. These reagents cause a dispersant effect separating the solid-liquid solution on tailing plants. Fine particles in the recovered water enter the circuit and affect the flotation efficiency. The effect of coagulant ions was studied as a method to clarify the returned water. The problem of the presence of these ions is related to its reactions with the collector by the formation of compounds and possibly on the selectivity. Variable quantities of Al{sup 3}+, Fe{sup 3}+ and Ca{sup 2}+ ions were added to the flotation to evaluate its effect on the fluorite recovery, in the selectivity and in solids content in recirculation water. Results show that some ions fail to improve water quality and are detrimental to flotation. On the contrary, some ions contribute to reduce fine content in suspension. Therefore, although there is a recovery reduction, such effect can be counteracted increasing the collector consumption a little. (Author) 21 refs.

New halides of neodymium and their crystal structures

International Nuclear Information System (INIS)

Loechner, U.

1980-01-01

The crystal structures of the peritectic phases NdClsub(2.27) (t-phase) and NdClsub(2.37) (rh-phase) were determined. The structure of the rh-phase was solved, from the t-phase only the elementary cell could be determined because no single crystals of sufficient quality were obtained. Jutting out feature of the rh-phase which has to be formulated as Nd 14 Cl 32 O is a polyeder cluster of 6 quadratic antiprisms the inner cubo octahedric cavity of which is occupied by an oxygen atom. The linkage of these polyeder cluster ensues only under each other along the triple axis of the rhomboedric system over 3 upper and 3 lower common borders each. Therewith for the first time a superlattice of the fluorite-type was found in which this unit exclusively occurs. The type of linkage of polyeder clusters causes the occurrence of an exceptional polyeder around the twovalent Nd ions which can be looked at as a zwitter polyeder of icosahedron and cube and therefore coordinates tenfold the twovalent neodymium. The strict order of chemically and crystallografically clearly differentiated cations is expressed by a hexagonal-rhomboedric superstructure of the fluorite-aristotyp with a doubled c-axis. The phase diagram of the system Nd-NdBr 3 was determined and a structure proposition was worked out for the first Vernier phase in there with n=4 of the series Lnsub(n)Xsub(2n+1). (SPI)

Development of remote controlled electron probe micro analyzer with crystal orientation analyzer

International Nuclear Information System (INIS)

Honda, Junichi; Matsui, Hiroki; Harada, Akio; Obata, Hiroki; Tomita, Takeshi

2012-07-01

The advanced utilization of Light Water Reactor (LWR) fuel is progressed in Japan to save the power generating cost and the volume of nuclear wastes. The electric power companies have continued the approach to the burnup extension and to rise up the thermal power increase of the commercial fuel. The government should be accumulating the detailed information on the newest technologies to make the regulations and guidelines for the safety of the advanced nuclear fuels. The remote controlled Electron Probe Micro Analyzer (EPMA) attached with crystal orientation analyzer has been developed in Japan Atomic Energy Agency (JAEA) to study the fuel behavior of the high burnup fuels under the accident condition. The effects of the cladding microstructure on the fuel behavior will be evaluated more conveniently and quantitatively by this EPMA. The commercial model of EPMA has been modified to have the performance of airtight and earthquake resistant in compliance with the safety regulation by the government for handling the high radioactive elements. This paper describes the specifications of EPMA which were specialised for post irradiation examination and the test results of the cold mock-up to confirm their performances and reliabilities. (author)

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

Energy Technology Data Exchange (ETDEWEB)

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

2017-11-17

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

Relationship between uranium-molybdenum, fluorite and gold deposits within provinces of continental volcanicity

International Nuclear Information System (INIS)

Modnikov, I.S.; Skvortsova, K.V.; Chesnokov, L.V.

1974-01-01

The article gives a comparative description of and the age relationships between uranium-molybdenum, gold and fluorite mineralizations in the areas of development of adhesite-diorite and liparite-granite vulcanoplutonic formations, which are most fully and intensively manifest in the intra-anticlinal and median blocks of folded regions in the final stages of geosynclinal development or during the final stages of tectono-magmatic activation. These formations usually fill vulcano-tectonic depression structures - overlaid troughs and inherited delections. The geological and geochemical data are evidence of the close temporal link between the hydrothermal process of ore formation and the type and scale of manifestations of the vulcano-plutonic magmatism that is responsible for the general geochemical features of the ores of deposits of various types. The formation of gold, fluorite and uranium-molybdenum deposits occurred immediately after the completion of effusive and intrusive magmatism during a single metallogenic cycle. The spatial distribution of the ore fields and deposits depends chiefly on the peculiarities of the tectonic make-up of the depression structures, and also on the type and scale of the manifestations of vulcano-plutonic magmatism. (B.Ya.)

Naturally irradiated fluorite as a historic violet pigment: Raman spectroscopic and X-ray diffraction study

Czech Academy of Sciences Publication Activity Database

Čermáková, Zdeňka; Bezdička, Petr; Němec, I.; Hradilová, J.; Šrein, V.; Blažek, Jan; Hradil, David

2015-01-01

Roč. 46, č. 2 (2015), s. 236-243 ISSN 0377-0486 R&D Projects: GA ČR GAP103/12/2211 Institutional support: RVO:61388980 ; RVO:67985556 Keywords : fluorite * pigment * fluorescence bands * diffraction lines broadening * irradiation Subject RIV: CA - Inorganic Chemistry Impact factor: 2.395, year: 2015

Crystal structures of orthorhombic, hexagonal, and cubic compounds of the Sm(x)Yb(2−x)TiO5 series

International Nuclear Information System (INIS)

Aughterson, Robert D.; Lumpkin, Gregory R.; Reyes, Massey de los; Sharma, Neeraj; Ling, Christopher D.; Gault, Baptiste; Smith, Katherine L.; Avdeev, Maxim; Cairney, Julie M.

2014-01-01

A series of single phase compounds with nominal stoichiometry Sm (x) Yb (2−x) TiO 5 (x=2, 1.4, 1, 0.6, and 0) have been successfully fabricated to generate a range of crystal structures covering the most common polymorphs previously discovered in the Ln 2 TiO 5 series (Ln=lanthanides and yttrium). Four of the five samples have not been previously fabricated in bulk, single phase form so their crystal structures are refined and detailed using powder synchrotron and single crystal x-ray diffraction, neutron diffraction and transmission electron microscopy. Based on the phase information from diffraction data, there are four crystal structure types in this series; orthorhombic Pnma, hexagonal P6 3 /mmc, cubic (pyrochlore-like) Fd-3m and cubic (fluorite-like) Fm-3m. The cubic materials show modulated structures with variation between long and short range ordering and the variety of diffraction techniques were used to describe these complex crystal structure types. - Graphical abstract: A high resolution image of the compound Sm 0.6 Yb 1.4 TiO 5 showing contrast from lattice fringes and the corresponding fast Fourier transform (FFT) of the HREM image with pyrochlore related diffraction spots marked “P” and fluorite marked “F”. The crystal is oriented down the [1 1 0] zone axis based on the Fd-3m structure. The ideal crystal structure (no vacancies) of the cubic, pyrochlore-like (Sm 0.6 Yb 1.4 TiO 5 ). - Highlights: • First fabrication of bulk single-phase material with stoichiometry Sm 2 TiO 5 . • Systematic study of crystal structure types within Ln 2 TiO 5 series (Ln=lanthanides). • A novel technique using IFFT of HREM images to study cubic structures

Investigation of lanthanide ions and other paramagnetic impurities in natural fluorite by electron paramagnetic resonance: examples of application to mining exploration and geochemistry

International Nuclear Information System (INIS)

Chatagnon, B.

1981-01-01

This research thesis reports the application to geology, and more particularly to geochemistry and mining exploration, of a physical method: the electron paramagnetic resonance (EPR). After a report of a bibliographical investigation on mineralogy and geochemistry of fluorite and lanthanides, as well as on paramagnetic centres observed by physicists in synthetic fluorite, the author reports an experimental work, and describes two examples of application of EPR: firstly, the exploration of radioactive ores, and secondly, with the joint use of neutron activation analysis, the characterization of the redox status of the hydrothermal solution which is at the origin of fluorinated mineralisation

Thermodynamic determination of fluorite phases of the ULnO4 type

International Nuclear Information System (INIS)

Paula, H.C.B.

1981-12-01

A method for the determination of structure and thermodynamical stability of fluorite phases of the ULnO 4 type is presented. Through the use of a solid body galvanic chain with CaO-doped ZrO 2 working as an oxygen ion conductor solid electrolyte, phase transformation temperatures are determined, as well as solubility enthalpies and entropies for ULnO 4 systems (Ln= Sm, Tb, Er, Ho, Tm, YB). X-ray analyses confirmed the electrochemical measurements. The emf measurement system is checked by using binary oxides with known composition and oxygen partial pressure. A comparison between stabilities of analysed compounds is also presented. (Author) [pt

General description of new equipment 'Fluorite-III' for Bor-Oendoer fluorate factory

International Nuclear Information System (INIS)

Bayar, V.; Basankhueue, O.; Ganzorig, J.; Dushan, P.; Lodoisamba, S.; Otgooloi, B.; Tsehlmehg, A.; Shagjjamba, D.

1992-01-01

A new equipment 'Fluorite-III' is described which is used to register and analyze three kinds of following informations: 1. Pulse count for determination of ore's concentration which is transferring by the factory conveyor. 2. Pulse count for determination of ore's thickness which is transferring also by the factory conveyor. 3. Information about that: Is the conveyor moving or not during our measurements. First and second kinds of information are registered by two detectors which is established on the different places from the factory conveyor. Constraction of these detectors are the same. Every one of them consists of a ''photo multiplier tube'' and a scintillator of ''sodium-iodine''. The third information is corresponding to the ''transistor and transistical logic'' level. Every counters data and the information about the conveyor should be transferred every time to the computer which is compatible with the IBM/PC for further treatment through the following devices: 1. Three State Buffer which is made from ''Generic Array Logic'' device. 2. Universal Asynchronous Receiver and Transmitter (UART) which is of type (AY 3-1015). 3. 20 milli-ampere current interface with optical isolators. Also in this way but in reverse order by these devices we can control all processes of the measurements from the computer. 1 fig

Lattice thermal expansion and solubility limits of neodymium-doped ceria

International Nuclear Information System (INIS)

Zhang, Jinhua; Ke, Changming; Wu, Hongdan; Yu, Jishun; Wang, Jingran

2016-01-01

Nd x Ce 1−x O 2−0.5x (x=0–1.0) powders were prepared by reverse coprecipitation-calcination method and characterized by XRD. The crystal structure of product powders transformed from single fluorite structure to the complex of fluorite and C-type cubic structure, and finally to trigonal structure with the increase of x-value. An empirical equation simulating the lattice parameter of neodymium doped ceria was established based on the experimental data. The lattice parameters of the fluorite structure solid solutions increased with extensive adoption of Nd 3+ , and the heating temperature going up. The average thermal expansion coefficients of neodymium doped ceria with fluorite structure are higher than 13.5×10 −6 °C −1 from room temperature to 1200 °C. - Graphical abstract: The crystal structure of Nd x Ce 1−x O 2−0.5x (x=0–1.0) powders transformed from single fluorite structure to the complex of fluorite and C-type cubic structure, and finally to trigonal structure with the increase of x-value.

The structural basis of the fluorite-related rare earth higher oxides

International Nuclear Information System (INIS)

Kang, Z.C.; Eyring, LeRoy

1996-01-01

In this paper phenomenological structural principles, and rules for their application are advanced for predicting the ideal structures of the higher oxides of the rare earths. These principles allow to establish a generic formula incorporating all known phases, guide the correct modelling of the established structures and demonstrate that structures previously proposed but proven incorrect do not follow the structural principles. They also can be used to predict the structures not yet established for known phases, including polymorphs, and provide rationalization for phases fitting the generic formula that have not yet been found. The structural principles flow naturally from the fluorite substructure characteristic of all established phases. 39 refs., 5 tabs., 16 figs

Properties of complex tungstates, niobates, translated with fluorite-like structure. Svojstva slozhnykh vol'framatov, niobatov, tantalatov s flyuoritopodobnoj strukturoj

Energy Technology Data Exchange (ETDEWEB)

Vetkina, S N; Zolin, V F; Sirotinkin, V P; Smirnov, S A

1989-04-01

Spectra of ternary tungstates, niobates and tantalates (MeLa{sub 2}WO{sub 7}, La{sub 3}TO{sub 7}; Me=Ba, Sr; T=Ta, Nb) related to the layered fluorite group are analyzed. The laser pumping and time resolved luminescence are used for selecting spectra of unequivalent centers. The symmetry of the first center is near to the distorted cubic one. The vibrational spectra of europium in Eu{sub 3}NbO{sub 7} and SrLa{sub 2}WO{sub 7} are due to the chain-like structure of niobates and to the net-like structure of tantalates. The stimulated emission of Nd{sup 3+} in powders of BaLa{sub 2}WO{sub 7} and La{sub 3}NbO{sub 7} is observed at wavelengths of 1.07 and 1.063 {mu}m, respectively.

Direct reading spectrochemical determination of aluminium, iron and silicon in fluorite; Determinacion espectroquimica de lectura directa de aluminio, hierro y silicio en fluorita

Energy Technology Data Exchange (ETDEWEB)

Roca, M

1966-07-01

A quantitative spectrochemical method for the determination of Al, Fe and Si in fluorite has been worked out. The sample was supported in a graphite electrode with crater of 5 mm. in diameter, 2,5 mm deep, and burned by a d.c. are in a direct reading spectrometer. The excitation of samples has been studied without dilution as well as using graphite powder as diluent in the ratios 1:1, 1:4, and 1:9; the latter factor was chosen. Ag, Ca, Co, Cr, Mo and Sn were tested as internal standards. It has not been found any significant inter element effect. It is necessary to use natural fluorite as base material for the standards. (Author) 5 refs.

Lattice thermal expansion and solubility limits of neodymium-doped ceria

Energy Technology Data Exchange (ETDEWEB)

Zhang, Jinhua, E-mail: jhzhang1212@126.com [The State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081 (China); State Key laboratory of Geological Process and Mineral Resources, China University of Geosciences, Wuhan 430074 (China); Ke, Changming [The State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081 (China); Wu, Hongdan [College of Resources and Enviromental Engineering, Wuhan University of Science and Technology, Wuhan 430081 (China); Yu, Jishun [State Key laboratory of Geological Process and Mineral Resources, China University of Geosciences, Wuhan 430074 (China); Wang, Jingran [The State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081 (China)

2016-11-15

Nd{sub x}Ce{sub 1−x}O{sub 2−0.5x} (x=0–1.0) powders were prepared by reverse coprecipitation-calcination method and characterized by XRD. The crystal structure of product powders transformed from single fluorite structure to the complex of fluorite and C-type cubic structure, and finally to trigonal structure with the increase of x-value. An empirical equation simulating the lattice parameter of neodymium doped ceria was established based on the experimental data. The lattice parameters of the fluorite structure solid solutions increased with extensive adoption of Nd{sup 3+}, and the heating temperature going up. The average thermal expansion coefficients of neodymium doped ceria with fluorite structure are higher than 13.5×10{sup −6} °C{sup −1} from room temperature to 1200 °C. - Graphical abstract: The crystal structure of Nd{sub x}Ce{sub 1−x}O{sub 2−0.5x} (x=0–1.0) powders transformed from single fluorite structure to the complex of fluorite and C-type cubic structure, and finally to trigonal structure with the increase of x-value.

Damage evolution of ion irradiated defected-fluorite La 2 Zr 2 O 7 epitaxial thin films

Energy Technology Data Exchange (ETDEWEB)

Kaspar, Tiffany C.; Gigax, Jonathan G.; Shao, Lin; Bowden, Mark E.; Varga, Tamas; Shutthanandan, Vaithiyalingam; Spurgeon, Steven R.; Yan, Pengfei; Wang, Chongmin; Ramuhalli, Pradeep; Henager, Charles H.

2017-05-01

Pyrochlore-structure oxides, A2B2O7, may exhibit remarkable radiation tolerance due to the ease with which they can accommodate disorder by transitioning to a defected fluorite structure. The mechanism of defect formation was explored by evaluating the radiation damage behavior of high quality epitaxial La2Zr2O7 thin films with the defected fluorite structure, irradiated with 1 MeV Zr+ at doses up to 10 displacements per atom (dpa). The level of film damage was evaluated as a function of dose by Rutherford backscattering spectrometry in the channeling geometry (RBS/c) and scanning transmission electron microscopy (STEM). At lower doses, the surface of the La2Zr2O7 film amorphized, and the amorphous fraction as a function of dose fit well to a stimulated amorphization model. As the dose increased, the surface amorphization slowed, and amorphization appeared at the interface. Even at a dose of 10 dpa, the core of the film remained crystalline, despite the prediction of amorphization from the model. To inform future ab initio simulations of La2Zr2O7, the bandgap of a thick La2Zr2O7 film was measured to be indirect at 4.96 eV, with a direct transition at 5.60 eV.

Two convenient low-temperature routes to single crystals of plutonium dioxide

Energy Technology Data Exchange (ETDEWEB)

Meredith, Nathan A. [Departments of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556 (United States); Wang, Shuao; Diwu, Juan [School of Radiation Medicine and Protection and School of Radiological and Interdisciplinary Sciences, Soochow University, Suzhou, Jiangsu 215123 (China); Albrecht-Schmitt, Thomas E., E-mail: talbrechtschmitt@gmail.com [Department of Chemistry and Biochemistry, Florida State University, Tallahassee, FL 32306 (United States)

2014-11-15

Highlights: • Two low-temperature routes to the growth single crystals of plutonium dioxide. • Safer methods of preparing PuO{sub 2} single crystals that do not involve solid-state synthetic techniques. • Solvothermal crystal growth of plutonium dioxide. - Abstract: During the solvothermal synthesis of a low-dimensional borate, KB{sub 5}O{sub 7}(OH){sub 2}⋅2H{sub 2}O, in the presence of Pu(III), single crystals of plutonium dioxide unexpectedly formed. Single crystals of PuO{sub 2} also formed during the hydrothermal synthesis of another borate, Na{sub 2}B{sub 5}O{sub 8}(OH)⋅2H{sub 2}O, in the presence of Pu(III). The reactions were conducted at 170 °C and 150 °C, respectively, which are much lower temperature than previously reported preparations of crystalline PuO{sub 2}. Yellow–green crystals with a tablet habit were characterized by single crystal X-ray diffraction and solid-state UV–vis–NIR absorption spectroscopy. The crystal structure was solved by direct methods with R{sub 1} = 1.26% for 19 unique observed reflections. PuO{sub 2} is cubic, space group Fm3{sup ‾}m, and adopts the fluorite structure type. The lattice parameter was determined to be a = 5.421(5) Å giving a volume of 159.3(2) Å{sup 3}. The absorption spectrum is consistent with Pu(IV)

A Study of F-center in the Ionic Crystal by Using The Quantum Dot Model Potential

Directory of Open Access Journals (Sweden)

Hashem Abood Kassim

2018-02-01

Full Text Available This work presents a study of the electronic structure of F-center in the crystal of NaCl, CsCl and fluorite structure by using quantum dot model potential. This model employs the semi-continuum method due to Simpson and specifies the F-center as a quantum dot partially confined within finite potential. The energy levels and transition energy of the F-center are calculated analytically by using this new model potential and including the effect of continuum medium due to the coulomb tail and using the strong perturbation approach

Quartz Crystal Microbalance: A tool for analyzing loss of volatile compounds, gas sorption, and curing kinetics

Energy Technology Data Exchange (ETDEWEB)

Bajric, Sendin [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-03-16

Los Alamos National Laboratory (LANL) has recently procured a quartz crystal microbalance (QCM). Current popular uses are biological sensors, surface chemistry, and vapor detection. LANL has projects related to analyzing curing kinetics, measuring gas sorption on polymers, and analyzing the loss of volatile compounds in polymer materials. The QCM has yet to be employed; however, this review will cover the use of the QCM in these applications and its potential.

Effect of electronegativity on the mechanical properties of metal hydrides with a fluorite structure

International Nuclear Information System (INIS)

Ito, Masato; Setoyama, Daigo; Matsunaga, Junji; Muta, Hiroaki; Kurosaki, Ken; Uno, Masayoshi; Yamanaka, Shinsuke

2006-01-01

Bulk titanium, yttrium, and zirconium hydrides, which have the same structure as that of fluorite-type fcc C 1, were produced and their mechanical properties were investigated. With an increase in the hydrogen content, the lattice parameters of titanium and zirconium hydrides increased, whereas those of yttrium hydride decreased. The elastic moduli of titanium and zirconium hydrides decreased by hydrogen addition, whereas those of yttrium hydride increased. There are linear relations between the electronegativities and hydrogen content dependence of the properties. Therefore, the mechanical properties of the metal hydrides are considered to be determined by a common rule based on the electronegativity

Electronic structures of (Pb sub 2 Cu)Sr sub 2 Eu sub x Ce sub n sub - sub x Cu sub 2 O sub 2 sub n sub + sub 6 (n=2, 3): Effect of fluorite blocks between adjacent CuO sub 2 layers

CERN Document Server

Arai, M

2003-01-01

The electronic structures of (Pb sub 2 Cu)Sr sub 2 Eu sub x Ce sub n sub - sub x Cu sub 2 O sub 2 sub n sub + sub 6 (n = 2, 3) compounds which have fluorite blocks between two adjacent CuO sub 2 layers have been studied by using ab-initio method. It is found that the anisotropy is enhanced by inserting the fluorite blocks. The Fermi velocity perpendicular to the CuO sub 2 layers decreases as the thickness of fluorite blocks increases. The Eu substitution is found to affect both the atomic positions and electronic structures. The distance between apical oxygen and copper becomes shorter by the Eu substitution. The energy bands derived from oxygens in the fluorite blocks approach Fermi energy as the content of Eu substitution increases. (author)

Determination of enrichment processes and radon concentration in underground mines of fluorite and coal in Santa Catarina state: criteria for radiation risk assessment

International Nuclear Information System (INIS)

Santos, Carlos Eduardo Lima dos

2008-01-01

The inhalation of radon present in underground mines can imply in the deposition of its descendants in the lungs, which may cause harm to the lungs tissues and induce cancer. Concentration of radon not greater than 500 Bq/m 3 in the environment of underground mines is considered to be acceptable internationally and concentrations above 1500 Bq/m 3 require protective measures for the miners. The objectives of this research work are to determine the enrichment processes and the concentrations of radon in air, as well as the resulting doses due to the presence of this radionuclide in three underground mines of fluorite and three underground mines of coal in the State of Santa Catarina. The concentration of radon was measured employing two types of detectors of nuclear tracks (SSNTD), the LEXAN and the CR-39. This detection method consists in counting, with the help of a microscope, tracks resulting from the interaction of alpha particles with the film, due to the penetration of Rn-222 in the interior of the detector chamber and its decaying process. Contents of radium in collected samples of rocks, minerals and underground water were determined and compared with the corresponding radon concentration found in the underground air. It was observed that the coal mines showed low concentrations of radon, which can be explained by the low concentration of radium in rocks (sandstones and siltites in the foot wall and hang wall) and in the coal that composes the mining environment or, yet still, due to the good ventilation system. The average dose to the workers of the coal mines was estimated as 0.7 mSv/a, value inferior to the limit of 1 mSv/a established by the Brazilian Nuclear Energy Commission (CNEN) for members of the public, and corresponding to a risk of fatal cancer after 50 years of work under this condition of 0.2%. On the other hand, the fluorite mines showed much higher concentrations of radon and superior to 1000 Bq/m 3 . The inefficiency of the ventilation

Thermal and chemical variations of the Nigerian Benue trough lead-zinc-barite-fluorite deposits

Science.gov (United States)

Ogundipe, Ibukun Emmanuel

2017-08-01

The Benue trough is an intra-continental rift initiated in the Cretaceous during the opening of the South Atlantic Ocean. Lead-zinc-barite-fluorite mineralization occurs along the 600 km axis of the trough in three discrete sub-basins which coincide with the lower, middle and upper mineral districts of the Benue Valley. Lithologically these sub-basins are dominated by black carbonaceous shale in the Lower Benue, platform carbonates in the Middle Benue and sandstones in the Upper Benue. Micro-thermometric analysis of fluid inclusions in sphalerite, fluorite, barite and quartz have shown that each mineral district has its own unique thermal and chemical imprint. For example, the temperature can be bracketed between 109 °C and 160 °C for lower Benue, 89 °C-144 °C for the Middle Benue and 176 °C-254 °C for the Upper Benue. Chemical differentiation also exists between each mineral district with the Lower Benue having 22 wt % equivalent NaCl while the Middle and Upper Benue have 18 and 16 wt % equivalent NaCl respectively. This study shows that inter-district thermal and chemical variations exist between the ore-stage sulfide and post-sulfide gangue minerals of the entire Benue Valley. Similarly, intra-district thermal and chemical variations have also been observed among all the paragenetic minerals of each district. The thermal variations may be as a result of variations in the geothermal gradient accompanying continental rifting from one district to the other. The variations in the chemistry between the Lower Benue and the Upper Benue paragenic minerals may be as a result of the distinct lithological differences across the Benue Trough.

High-throughput continuous hydrothermal flow synthesis of Zn-Ce oxides: unprecedented solubility of Zn in the nanoparticle fluorite lattice.

Science.gov (United States)

Kellici, Suela; Gong, Kenan; Lin, Tian; Brown, Sonal; Clark, Robin J H; Vickers, Martin; Cockcroft, Jeremy K; Middelkoop, Vesna; Barnes, Paul; Perkins, James M; Tighe, Christopher J; Darr, Jawwad A

2010-09-28

High-throughput continuous hydrothermal flow synthesis has been used as a rapid and efficient synthetic route to produce a range of crystalline nanopowders in the Ce-Zn oxide binary system. High-resolution powder X-ray diffraction data were obtained for both as-prepared and heat-treated (850 degrees C for 10 h in air) samples using the new robotic beamline I11, located at Diamond Light Source. The influence of the sample composition on the crystal structure and on the optical and physical properties was studied. All the nanomaterials were characterized using Raman spectroscopy, UV-visible spectrophotometry, Brunauer-Emmett-Teller surface area and elemental analysis (via energy-dispersive X-ray spectroscopy). Initially, for 'as-prepared' Ce(1-x)Zn(x)O(y), a phase-pure cerium oxide (fluorite) structure was obtained for nominal values of x=0.1 and 0.2. Biphasic mixtures were obtained for nominal values of x in the range of 0.3-0.9 (inclusive). High-resolution transmission electron microscopy images revealed that the phase-pure nano-CeO(2) (x=0) consisted of ca 3.7 nm well-defined nanoparticles. The nanomaterials produced herein generally had high surface areas (greater than 150 m(2) g(-1)) and possessed combinations of particle properties (e.g. bandgap, crystallinity, size, etc.) that were unobtainable or difficult to achieve by other more conventional synthetic methods.

Magnetic interactions in praseodymium ruthenate Pr{sub 3}RuO{sub 7} with fluorite-related structure

Energy Technology Data Exchange (ETDEWEB)

Inabayashi, Masaki; Doi, Yoshihiro; Wakeshima, Makoto; Hinatsu, Yukio, E-mail: hinatsu@sci.hokudai.ac.jp

2017-06-15

Solid solutions Pr{sub 3}(Ru{sub 1-x}Ta{sub x})O{sub 7} (0≤x≤1.0) and (Pr{sub 1-x}Y{sub x}){sub 3}RuO{sub 7} (0≤x≤0.7) were obtained as a single phase compound. They crystallize in an orthorhombic superstructure derived from that of the cubic fluorite with space group Cmcm. The results of the Rietveld analysis for X-ray diffraction profiles of Pr{sub 3}(Ru{sub 1-x}Ta{sub x})O{sub 7} showed that Ru and Ta atoms are randomly situated at the six-coordinate 4b site. For (Pr{sub 1-x}Y{sub x}){sub 3}RuO{sub 7}, with increasing the concentration of Y ions (x value), the smaller Y ions occupy selectively the seven-coordinate 8g site rather than the eight-coordinate 4a site. Through magnetic susceptibility measurements for Pr{sub 3}(Ru{sub 1-x}Ta{sub x})O{sub 7}, the antiferromagnetic transition temperatures decrease linearly with increasing x value, and at x=0.75 no magnetic ordering was found down to 1.8 K, indicating the magnetic interaction is not one-dimensional, but three-dimensional. On the other hand, the antiferromagnetic transition temperature for (Pr{sub 1-x}Y{sub x}){sub 3}RuO{sub 7} decreases with increasing x value, but above x≥0.50 it becomes constant (~12 K). This result indicates that Pr{sup 3+} ions at the seven-coordinate site greatly contribute to the antiferromagnetic interactions observed in (Pr{sub 1-x}Y{sub x}){sub 3}RuO{sub 7}. Density functional calculations of Pr{sub 3}RuO{sub 7} demonstrate that the electronic structure gives insulating character and that oxygen 2p orbitals hybridize strongly with Ru 4d orbitals in the valence band (VB). Near the top of VB, the Pr 4 f orbitals at the seven-coordinated site also show a weak hybridization with the O(1) 2p orbitals. The Ru-O(1)-Pr superexchange pathway take part in three-dimensional magnetic interaction and play an important role in an enhancement of long-range magnetic ordering. - Graphical abstract: The spin densities and the spin polarization of Pr{sub 3}RuO{sub 7} are shown

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

Determination of enrichment processes and the concentrations of radon in underground mines of fluorite and coal in Santa Catarina state: criteria for evaluation of radiological risks

International Nuclear Information System (INIS)

Santos, Carlos Eduardo Lima dos

2008-01-01

The inhalation of radon present in underground mines can imply in the deposition of its descendent in the lungs, which may cause harm to the lungs tissues and induce cancer. Concentration of radon not greater than 500 Bq/m3 in the environment of underground mines is considered to be acceptable internationally and concentrations above 1500 Bq/m3 require protective measures for the miners. The objectives of this research work are to determine the enrichment processes and the concentrations of radon in air, as well as the resulting doses due to the presence of this radionuclide in three underground mines of fluorite and three underground mines of coal in the State of Santa Catarina. The concentration of radon was measured employing two types of detectors of nuclear tracks (SSNTD), the LEXAN and the CR-39. This detection method consists in counting, with the help of a microscope, tracks resulting from the interaction of alpha particles with the film, due to the penetration of Rn-222 in the interior of the detector chamber and its decaying process. Contents of radium in collected samples of rocks, minerals and underground water were determined and compared with the corresponding radon concentration found in the underground air. It was observed that the coal mines showed low concentrations of radon, which can be explained by the low concentration of radium in rocks (sandstones and siltites in the footwall and hang wall) and in the coal that composes the mining environment or, yet still, due to the good ventilation system. The average dose to the workers of the coal mines was estimated as 0.7 mSv/a, value inferior to the limit of 1 mSv/a established by the Brazilian Nuclear Energy Commission (CNEN) for members of the public, and corresponding to a risk of fatal cancer after 50 years of work under this condition of 0.2%. On the other hand, the fluorite mines showed much higher concentrations of radon and superior to 1000 Bq/m3. The inefficiency of the ventilation system

Solid State Structure-Reactivity Studies on Bixbyites, Fluorites and Perovskites Belonging to the Vanadate, Titanate and Cerate Families

Science.gov (United States)

Shafi, Shahid P.

This thesis primarily focuses on the systematic understanding of structure-reactivity relationships in two representative systems: bixbyite and related structures as well as indium doped CeO2. Topotactic reaction routes have gained significant attention over the past two decades due to their potential to access kinetically controlled metastable materials. This has contributed substantially to the understanding of solid state reaction pathways and provided first insights into mechanisms. Contrary to the widely used ex-situ methods, in-situ techniques including powder x-ray diffraction and thermogravimetric-differential thermal analysis have been employed extensively throughout this work in order to follow the reaction pathways in real time. Detailed analysis of the AVO3 (A = In, Sc) bixbyite reactivity under oxidative conditions has been carried out and a variety of novel metastable oxygen defect phases have been identified and characterized. The novel metastable materials have oxygen deficient fluorite structures and consequently are potential ion conductors. Structural aspects of the topotactic vs. reconstructive transformations are illustrated with this model system. The structure-reactivity study of AVO3 phases was extended to AVO3 perovskite family. Based on the research methodologies and results from AVO3 bixbyite reactivity studies a generalized mechanistic oxidation pathway has been established with a non-vanadium phase, ScTiO3 bixbyite. However, there is stark contrast in terms of structural stability and features beyond this stability limit during AVO3 and ScTiO3 bixbyite reaction pathways. A series of complex reaction sequences including phase separation and phase transitions were identified during the investigation of ScTiO3 reactivity. The two-step formation pathway for the fluorite-type oxide ion conductor Ce1-xInxO2-delta (0 ≤ x ≤ 0.3) is being reported. The formation of the BaCe1-xInxO 3-delta perovskites and the subsequent CO2-capture reaction

Chemical ordering in substituted fluorite oxides: a computational investigation of Ho2Zr2O7 and RE2Th2O7 (RE=Ho, Y, Gd, Nd, La)

Science.gov (United States)

Solomon, Jonathan M.; Shamblin, Jacob; Lang, Maik; Navrotsky, Alexandra; Asta, Mark

2016-12-01

Fluorite-structured oxides find widespread use for applications spanning nuclear energy and waste containment, energy conversion, and sensing. In such applications the host tetravalent cation is often partially substituted by trivalent cations, with an associated formation of charge-compensating oxygen vacancies. The stability and properties of such materials are known to be influenced strongly by chemical ordering of the cations and vacancies, and the nature of such ordering and associated energetics are thus of considerable interest. Here we employ density-functional theory (DFT) calculations to study the structure and energetics of cation and oxygen-vacancy ordering in Ho2Zr2O7. In a recent neutron total scattering study, solid solutions in this system were reported to feature local chemical ordering based on the fluorite-derivative weberite structure. The calculations show a preferred chemical ordering qualitatively consistent with these findings, and yield values for the ordering energy of 9.5 kJ/mol-cation. Similar DFT calculations are applied to additional RE2Th2O7 fluorite compounds, spanning a range of values for the ratio of the tetravalent and trivalent (RE) cation radii. The results demonstrate that weberite-type order becomes destabilized with increasing values of this size ratio, consistent with an increasing energetic preference for the tetravalent cations to have higher oxygen coordination.

Ion irradiation-induced diffusion in bixbyite-fluorite related oxides: Dislocations and phase transformation

Energy Technology Data Exchange (ETDEWEB)

Rolly, Gaboriaud, E-mail: Rolly.gaboriaud@univ-poitiers.fr [Institut Pprime, CNRS-University of Poitiers, SP2MI-BP 30179, 86962 Chasseneuil-Futuroscope (France); Fabien, Paumier [Institut Pprime, CNRS-University of Poitiers, SP2MI-BP 30179, 86962 Chasseneuil-Futuroscope (France); Bertrand, Lacroix [CSIC – University of Sevilla, Avenida Américo Vespucio, 49, 41092 Sevilla (Spain)

2014-05-01

Ion-irradiation induced diffusion and the phase transformation of a bixbyite-fluorite related rare earth oxide thin films are studied. This work is focused on yttrium sesquioxide, Y{sub 2}O{sub 3}, thin films deposited on Si (1 0 0) substrates using the ion beam sputtering technique (IBS). As-deposited samples were annealed ant then irradiated at cryogenic temperature (80 K) with 260 keV Xe{sup 2+} at different fluences. The irradiated thin oxide films are characterized by X-ray diffraction. A cubic to monoclinic phase transformation was observed. Analysis of this phenomenon is done in terms of residual stresses. Stress measurements as a function of irradiation fluences were realised using the XRD-sin{sup 2}ψ method. Stress evolution and kinetic of the phase transformation are compared and leads to the role-played by the nucleation of point and extended defects.

Conductivity and hydration trends in disordered fluorite and pyrochlore oxides: A study on lanthanum cerate–zirconate based compounds

DEFF Research Database (Denmark)

Besikiotis, Vasileios; Ricote, Sandrine; Jensen, Molly Hjorth

2012-01-01

In the present contribution we discuss the influence of order/disorder on the concentration and mobility of ionic charge carriers in undoped and acceptor (calcium) doped fluorite and pyrochlore structured lanthanum cerate–zirconate solid solutions: (La1−yCay)2(Ce1−xZrx)2O7−δ (y=0, 0.02, 0.10; x=0...... enthalpy becomes more exothermic with higher cerium content, i.e. with more disordered materials. The proton conductivity decreases upon acceptor substitution of La3+ with Ca2+ which is attributed to trapping of the charge carriers by the effectively negative acceptor....

P-T path fluid evolution in the Gross Spitzkoppe granite stock, Namibia

Directory of Open Access Journals (Sweden)

Stephen Frindt

2002-01-01

Full Text Available The Gross Spitzkoppe granite stock (GSS is a zoned 30 km^2 epizonal intrusion that consists of three main granites: 1 medium-grained biotite granite (marginal, 2 a coarse-grained biotite granite, and 3 a central, porphyritic granite. The stock contains pegmatites as banded marginal stockscheiders and isolated pockets composed of large alkali feldspar and quartz, dark mica, interstitial fluorite, and euhedral topaz and beryl crystals. In the porphyritic granite there are local wolframite-bearing greisens and hydrothermal fluorite and topaz-rich veins.Fluid inclusion studies were conducted on: 1 topaz and quartz crystals from the marginal stockscheider; 2 quartz, topaz, fluorite and beryl crystals from isolated pegmatites; 3 topaz from a miarolitic pegmatite; 4 beryl and quartz veins from greisenized porphyritic granite; and 5 fluorite from a late fluorite vein inthe coarse-grained biotite granite. Preliminary data indicate the presence of three compositionally distinct primary and pseudosecondary inclusion types that are of late magmatic-hydrothermal origin.Type 1. Low salinity (0–10 eq. wt% NaCl H2O (± CO2 inclusions that homogenize to the liquid phase in the temperature range of 300 to 550˚C. These inclusions are from quartz, topaz and beryl. Inclusions in fluorite from the fluorite vein homogenize at ~170˚C and have a salinity of ca. 1–2 eq. wt% NaCl.Type 2. Saline (25–30 eq. wt% NaCl halite-bearing H2O (± CO2 inclusions that homogenize to the liquid phase in the temperature range of 300 to 400˚C. These inclusions are from quartz.Type 3. Low salinity (0–3 eq. wt% NaCl H2O-CO2 inclusions that homogenize to vapor phase in the temperature range of 330 to 550˚C. These inclusions are from quartz and topaz.Hydrothermal fluids from greisen minerals are represented by type 1 and type 2 H2O inclusions. They are predominantly of low salinity (~8 eq. wt% NaCl and homogenize to the liquid phase in the temperature range of 300 to 500�

Protein Crystal Growth

Science.gov (United States)

2003-01-01

In order to rapidly and efficiently grow crystals, tools were needed to automatically identify and analyze the growing process of protein crystals. To meet this need, Diversified Scientific, Inc. (DSI), with the support of a Small Business Innovation Research (SBIR) contract from NASA s Marshall Space Flight Center, developed CrystalScore(trademark), the first automated image acquisition, analysis, and archiving system designed specifically for the macromolecular crystal growing community. It offers automated hardware control, image and data archiving, image processing, a searchable database, and surface plotting of experimental data. CrystalScore is currently being used by numerous pharmaceutical companies and academic and nonprofit research centers. DSI, located in Birmingham, Alabama, was awarded the patent Method for acquiring, storing, and analyzing crystal images on March 4, 2003. Another DSI product made possible by Marshall SBIR funding is VaporPro(trademark), a unique, comprehensive system that allows for the automated control of vapor diffusion for crystallization experiments.

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.

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.

Analyzed Using Statistical Moments

International Nuclear Information System (INIS)

Oltulu, O.

2004-01-01

Diffraction enhanced imaging (DEl) technique is a new x-ray imaging method derived from radiography. The method uses a monorheumetten x-ray beam and introduces an analyzer crystal between an object and a detector Narrow angular acceptance of the analyzer crystal generates an improved contrast over the evaluation radiography. While standart radiography can produce an 'absorption image', DEl produces 'apparent absorption' and 'apparent refraction' images with superior quality. Objects with similar absorption properties may not be distinguished with conventional techniques due to close absorption coefficients. This problem becomes more dominant when an object has scattering properties. A simple approach is introduced to utilize scattered radiation to obtain 'pure absorption' and 'pure refraction' images

Shock Compression Response of Calcium Fluoride (CaF2)

Science.gov (United States)

Root, Seth

2017-06-01

The fluorite crystal structure is a textbook lattice that is observed for many systems, such as CaF2, Mg2 Si, and CeO2. Specifically, CaF2 is a useful material for studying the fluorite system because it is readily available as a single crystal. Under static compression, CaF2 is known to have at least three solid phases: fluorite, cotunnite, and a Ni2 In phase. Along the Hugoniot CaF2 undergoes a fluorite to cotunnite phase transition, however, at higher shock pressures it is unknown whether CaF2 undergoes another solid phase transition or melts directly from the cotunnite phase. In this work, we conducted planar shock compression experiments on CaF2 using Sandia's Z-machine and a two-stage light gun up to 900 GPa. In addition, we use density functional theory (DFT) based quantum molecular dynamics (QMD) simulations to provide insight into the CaF2 state along the Hugoniot. In collaboration with: Michael Desjarlais, Ray Lemke, Patricia Kalita, Scott Alexander, Sandia National Laboratories. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL850.

The structural priciples that underlie the higher oxides of the rare earths

International Nuclear Information System (INIS)

Kang, Z.C.; Zhang, J.; Eyring, L.

1996-01-01

The structural principle that accounts for the anion-deficient, fluorite-related homologous series of higher rare earth oxides has awaited the determination of a sufficient number of their structures to test hypotheses. Recent structure refinement of five additional members has permitted extraction of a number of generalizations concerning their crystallization behavior. These general principles are outlined. Furthermore, based on the fluorite structure itself, a phenomenological structural principle is outlined that (1) unifies all known and possible phases in these fluorite-related systems under one generic formula, (2) models all known structures correctly and (3) enables modeling of any unknown structure or polymorph in the series. All that is required are electron diffraction patterns adequate to determine the supercell and a knowledge of its composition. (orig.)

Crystallization process of zircon and fergusonite during hydrothermal alteration in Nechalacho REE deposit, Thor Lake, Canada

Science.gov (United States)

Hoshino, M.; Watanabe, Y.; Murakami, H.; Kon, Y.; Tsunematsu, M.

2012-04-01

The core samples of two drill holes, which penetrate sub-horizontal mineralized horizons at Nechalacho REE deposit in the Proterozoic Thor Lake syenite, Canada, were studied in order to clarify magmatic and hydrothermal processes that enriched HFSE (e.g. Zr, Nb, Y and REE). Zircon is the most common REE minerals in Nechalacho REE deposit. The zircon is divided into five types as follows: Type-1 zircon occurs as single grain in phlogopite and the chondrite-normalized REE pattern is characterized by a steeply-rising slope from the LREE to the HREE with a positive Ce-anomaly and negative Eu-anomaly. This chemical characteristic is similar to that of igneous zircon. Type-2 zircon consists of HREE-rich magmatic porous core and LREE-Nb-F-rich hydrothermal rim. This type zircon is mostly included in phlogopite and fluorite, and occasionally in microcline. Type-3 zircon is characterized by euhedral to anhedral crystal, occurring in a complex intergrowth with REE fluorocarbonates. Type-3 zircons have high contents of REE, Nb and fluorine. Type-4 zircon consists of porous-core and -rim zones, but their chemical compositions are similar to each other. This type zircon is a subhedral crystal rimmed by fergusonite. Type-5 zircon is characterized by smaller, porous and subhedral to anhedral crystals. The interstices between small zircons are filled by fergusonite. Type-4 and -5 zircons show low REE and Nb contents. Occurrences of these five types of zircon are different according to the depth and degree of the alteration by hydrothermal solutions rich in F- and CO3 of the two drill holes, which permit a model for evolution of the zircon crystallization in Nechalacho REE deposit as follows: (1) type-1 (single magmatic zircon) is formed in miaskitic syenite. (2) LREE-Nb-F-rich hydrothermal zircon formed around HREE-rich magmatic zircon (type-2 zircon); (3) type-3 zircon crystallized thorough F and CO3-rich hydrothermal alteration of type-2 zircon which formed the complex

The Li–Si–(O)–N system revisited: Structural characterization of Li{sub 21}Si{sub 3}N{sub 11} and Li{sub 7}SiN{sub 3}O

Energy Technology Data Exchange (ETDEWEB)

Casas-Cabanas, M. [CIC energiGUNE, Parque Tecnológico de Álava, Albert Einstein 48, ED.CIC, 01510 Miñano (Spain); Santner, H. [Institut de Ciència de Materials de Barcelona (CSIC) Campus UAB, 08193 Bellaterra, Catalonia (Spain); Palacín, M.R., E-mail: rosa.palacin@icmab.es [Institut de Ciència de Materials de Barcelona (CSIC) Campus UAB, 08193 Bellaterra, Catalonia (Spain)

2014-05-01

A systematic study of the Li–Si–(O)–N system is presented. The synthetic conditions to prepare Li{sub 2}SiN{sub 2}, Li{sub 5}SiN{sub 3}, Li{sub 18}Si{sub 3}N{sub 10}, Li{sub 21}Si{sub 3}N{sub 11} and Li{sub 7}SiN{sub 3}O are described and the structure of the last two compounds has been solved for the first time. While Li{sub 21}Si{sub 3}N{sub 11} crystallizes as a superstructure of the anti-fluorite structure with Li and Si ordering, Li{sub 7}SiN{sub 3}O exhibits the anti-fluorite structure with both anion and cation disorder. - Graphical abstract: A systematic study of the Li–Si–(O)–N system is presented. Li{sub 21}Si{sub 3}N{sub 11} crystallizes as a superstructure of the anti-fluorite structure with Li and Si ordering, Li{sub 7}SiN{sub 3}O exhibits the anti-fluorite structure with both anion and cation disorder. - Highlights: • Li{sub 2}SiN{sub 2}, Li{sub 5}SiN{sub 3}, Li{sub 18}Si{sub 3}N{sub 10}, Li{sub 21}Si{sub 3}N{sub 11} and Li{sub 7}SiN{sub 3}O are prepared. • The structures of Li{sub 21}Si{sub 3}N{sub 11} and Li{sub 7}SiN{sub 3}O are presented. • Li{sub 21}Si{sub 3}N{sub 11} exhibits an anti-fluorite superstructure with Li and Si ordering.

Role of crystal orientation on chemical mechanical polishing of single crystal copper

Energy Technology Data Exchange (ETDEWEB)

Zhu, Aibin, E-mail: abzhu@mail.xjtu.edu.cn; He, Dayong; Luo, Wencheng; Liu, Yangyang

2016-11-15

Highlights: • The role of crystal orientation in cooper CMP by quasi-continuum was studied. • The atom displacement diagrams were obtained and analyzed. • The stress distribution diagrams and load-displacement curves were analyzed. • This research is helpful to revealing the material removal mechanism of CMP. - Abstract: The material removal mechanism of single crystal copper in chemical mechanical polishing (CMP) has not been intensively investigated. And the role of crystal orientation in CMP of single crystal cooper is not quite clear yet. Quasi-continuum method was adopted in this paper to simulate the process of nano-particles grinding on single crystal copper in CMP process. Three different crystal orientations, i.e. x[100]y[001], x[001]y[110] and x[–211]y[111], were chosen for analysis. The atom displacement diagrams, stress distribution diagrams and load-displacement curves were obtained. After analyzing the deformation mechanism, residual stress of the work piece material and cutting force, results showed that, the crystal orientation of work piece has great influence on the deformation characteristics and surface quality of work piece during polishing. In the A(001)[100] orientation, the residual stress distribution after polishing is deeper, and the stress is larger than that in the B(110)[001] and C(111)[–211] orientations. And the average tangential cutting force in the A(001)[100] orientation is much larger than those in the other two crystal orientation. This research is helpful to revealing the material removal mechanism of CMP process.

Accelerator-based analytical technique in the evaluation of some Nigeria's natural minerals: Fluorite, tourmaline and topaz

Energy Technology Data Exchange (ETDEWEB)

Olabanji, S.O. [Istituto Nazionale di Fisica Nucleare (INFN), Laboratori Nazionali di Legnaro (LNL), viale dell' Universita 2, 35020 Legnaro, Padova (Italy)]. E-mail: skayode2002@yahoo.co.uk; Ige, O.A. [Natural History Museum, Obafemi Awolowo University, Ile-Ife (Nigeria); Mazzoli, C. [Dipartimento di Mineralogia e Petrologia, Universita di Padova, 35100 Padova (Italy); Ceccato, D. [Istituto Nazionale di Fisica Nucleare (INFN), Laboratori Nazionali di Legnaro (LNL), viale dell' Universita 2, 35020 Legnaro, Padova (Italy); Dipartimento di Fisica, Universita di Padova, via Marzolo 8, 35100 Padova (Italy); Akintunde, J.A. [CERD, Obafemi Awolowo University, Ile-Ife (Nigeria); De Poli, M. [Istituto Nazionale di Fisica Nucleare (INFN), Laboratori Nazionali di Legnaro (LNL), viale dell' Universita 2, 35020 Legnaro, Padova (Italy); Moschini, G. [Istituto Nazionale di Fisica Nucleare (INFN), Laboratori Nazionali di Legnaro (LNL), viale dell' Universita 2, 35020 Legnaro, Padova (Italy); Dipartimento di Fisica, Universita di Padova, via Marzolo 8, 35100 Padova (Italy)

2005-10-15

For the first time, the complementary accelerator-based analytical technique of PIXE and electron microprobe analysis (EMPA) were employed for the characterization of some Nigeria's natural minerals namely fluorite, tourmaline and topaz. These minerals occur in different areas in Nigeria. The minerals are mainly used as gemstones and for other scientific and technological applications and therefore are very important. There is need to characterize them to know the quality of these gemstones and update the geochemical data on them geared towards useful applications. PIXE analysis was carried out using the 1.8 MeV collimated proton beam from the 2.5 MV AN 2000 Van de Graaff accelerator at INFN, LNL, Legnaro, Padova, Italy. The novel results which show many elements at different concentrations in these minerals are presented and discussed.

Fluid evolution and mineralogy of Mn-Fe-barite-fluorite mineralizations at the contact of the Thuringian Basin, Thüringer Wald and Thüringer Schiefergebirge in Germany

Directory of Open Access Journals (Sweden)

Majzlan Juraj

2016-02-01

Full Text Available Numerous small deposits and occurrences of Mn-Fe-fluorite-barite mineralization have developed at the contact of the Thuringian Basin, Thüringer Wald and Thüringer Schiefergebirge in central Germany. The studied mineralizations comprise the assemblages siderite+ankerite-calcite-fluorite-barite and hematite-Mn oxides-calcite-barite, with the precipitation sequence in that order within each assemblage. A structural geological analysis places the origin of the barite veins between the Middle Jurassic and Early Cretaceous. Primary fluid inclusions contain water vapour and an aqueous phase with NaCl and CaCl2 as the main solutes, with salinities mostly between 24–27 mass. % CaCl2 eq. Th measurements range between 85 °C and 160 °C in barite, between 139 °C and 163 °C in siderite, and between 80 °C and 130 °C in fluorite and calcite. Stable isotopes (S, O point to the evaporitic source of sulphur in the observed mineralizations. The S,C,O isotopic compositions suggest that barite and calcite could not have precipitated from the same fluid. The isotopic composition of the fluid that precipitated barite is close to the sea water in the entire Permo–Mesozoic time span whereas calcite is isotopically distinctly heavier, as if the fluids were affected by evaporation. The fluid evolution in the siliciclastic/volcanic Rotliegend sediments (as determined by a number of earlier petrological and geochemical studies can be correlated with the deposition sequence of the ore minerals. In particular, the bleaching of the sediments by reduced Rotliegend fluids (basinal brines could be the event that mobilized Fe and Mn. These elements were deposited as siderite+ankerite within the Zechstein carbonate rocks and as hematite+Mn oxides within the oxidizing environment of the Permian volcanic and volcanoclastic rocks. A Middle-Jurassic illitization event delivered Ca, Na, Ba, and Pb from the feldspars into the basinal brines. Of these elements, Ba was

Chemical ordering in substituted fluorite oxides: a computational investigation of Ho2Zr2O7 and RE2Th2O7 (RE=Ho, Y, Gd, Nd, La)

OpenAIRE

Jonathan M. Solomon; Jacob Shamblin; Maik Lang; Alexandra Navrotsky; Mark Asta

2016-01-01

Fluorite-structured oxides find widespread use for applications spanning nuclear energy and waste containment, energy conversion, and sensing. In such applications the host tetravalent cation is often partially substituted by trivalent cations, with an associated formation of charge-compensating oxygen vacancies. The stability and properties of such materials are known to be influenced strongly by chemical ordering of the cations and vacancies, and the nature of such ordering and associated e...

On-line monitoring of the crystallization process: relationship between crystal size and electrical impedance spectra

International Nuclear Information System (INIS)

Zhao, Yanlin; Yao, Jun; Wang, Mi

2016-01-01

On-line monitoring of crystal size in the crystallization process is crucial to many pharmaceutical and fine-chemical industrial applications. In this paper, a novel method is proposed for the on-line monitoring of the cooling crystallization process of L-glutamic acid (LGA) using electrical impedance spectroscopy (EIS). The EIS method can be used to monitor the growth of crystal particles relying on the presence of an electrical double layer on the charged particle surface and the polarization of double layer under the excitation of alternating electrical field. The electrical impedance spectra and crystal size were measured on-line simultaneously by an impedance analyzer and focused beam reflectance measurement (FBRM), respectively. The impedance spectra were analyzed using the equivalent circuit model and the equivalent circuit elements in the model can be obtained by fitting the experimental data. Two equivalent circuit elements, including capacitance ( C 2 ) and resistance ( R 2 ) from the dielectric polarization of the LGA solution and crystal particle/solution interface, are in relation with the crystal size. The mathematical relationship between the crystal size and the equivalent circuit elements can be obtained by a non-linear fitting method. The function can be used to predict the change of crystal size during the crystallization process. (paper)

Amine free crystal structure: The crystal structure of d(CGCGCG)2 and methylamine complex crystal

International Nuclear Information System (INIS)

Ohishi, Hirofumi; Tsukamoto, Koji; Hiyama, Yoichi; Maezaki, Naoyoshi; Tanaka, Tetsuaki; Ishida, Toshimasa

2006-01-01

We succeeded in the crystallization of d(CGCGCG) 2 and methylamine Complex. The crystal was clear and of sufficient size to collect the X-ray crystallographic data up to 1.0 A resolution using synchrotron radiation. As a result of X-ray crystallographic analysis of 2F o - F c map was much clear and easily traced. It is First time monoamine co-crystallizes with d(CGCGCG) 2 . However, methylamine was not found from the complex crystal of d(CGCGCG) 2 and methylamine. Five Mg ions were found around d(CGCGCG) 2 molecules. These Mg ions neutralized the anion of 10 values of the phosphate group of DNA with five Mg 2+ . DNA stabilized only by a metallic ion and there is no example of analyzing the X-ray crystal structure like this. Mg ion stabilizes the conformation of Z-DNA. To use monoamine for crystallization of DNA, we found that we can get only d(CGCGCG) 2 and Mg cation crystal. Only Mg cation can stabilize the conformation of Z-DNA. The method of using the monoamine for the crystallization of DNA can be applied to the crystallization of DNA of long chain of length in the future like this

Crystal ball single event display

International Nuclear Information System (INIS)

Grosnick, D.; Gibson, A.; Allgower, C.; Alyea, J.; Argonne National Lab., IL

1997-01-01

The Single Event Display (SED) is a routine that is designed to provide information graphically about a triggered event within the Crystal Ball. The SED is written entirely in FORTRAN and uses the CERN-based HICZ graphing package. The primary display shows the amount of energy deposited in each of the NaI crystals on a Mercator-like projection of the crystals. Ten different shades and colors correspond to varying amounts of energy deposited within a crystal. Information about energy clusters is displayed on the crystal map by outlining in red the thirteen (or twelve) crystals contained within a cluster and assigning each cluster a number. Additional information about energy clusters is provided in a series of boxes containing useful data about the energy distribution among the crystals within the cluster. Other information shown on the event display include the event trigger type and data about π o 's and η's formed from pairs of clusters as found by the analyzer. A description of the major features is given, along with some information on how to install the SED into the analyzer

A molecular dynamics study on the oxygen diffusion in doped fluorites: the effect of the dopant distribution

Energy Technology Data Exchange (ETDEWEB)

Tarancon, A. [M2E/XaRMAE/IREC, Department of Advanced Materials for Energy Applications, Catalonia Institute for Energy Research (IREC), Josep Pla 2, Torre 2, B2, 08019 Barcelona (Spain); Morata, A.; Peiro, F. [MIND/XaRMAE/IN2UB, Department of Electronics, University of Barcelona, Marti i Franques 1, 08028 Barcelona (Spain); Dezanneau, G. [Laboratoire Structures, Proprietes et Modelisation des Solides, Grande Voie des Vignes, Ecole Centrale Paris, F-92295 Chatenay-Malabry Cedex (France)

2011-02-15

The effect of the dopant distribution on the oxygen diffusion in doped fluorites typically used for solid oxide fuel cells electrolyte applications has been analysed by using molecular dynamics simulations. The oxygen mass transport in both yttria-stabilized zirconia (YSZ) and gadolinia-doped ceria has been studied and compared in the range of temperatures between 1,159 and 1,959 K. A new methodology based on the analysis of local environments is used to describe the diffusion process at an atomic scale. Preferred vacancy migration pathways, most suitable conduction models, energy landscapes and jump efficiency have been detailed for each material. Finally, a particular case of non-random distribution of dopants in YSZ is presented in order to quantitatively evaluate the effect of the dopant pattern on the mass transport properties and the potential of the methodology developed here for understanding and foreseeing real configurations at the nanoscale. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Study On Beneficiation Technology Of Dong Pao Rare-Earth-Barite-Fluorite With Two Product Plans About Content And Recovery Of Rare-Earth Fine Ores

International Nuclear Information System (INIS)

Duong Van Su; Truong Thi Ai; Bui Ba Duy; Bui Thi Bay; Nguyen Hong Ha; Le Thi Hong Ha; Doan Thi Mo; Doan Dac Ban; Nguyen Hoang Son

2014-01-01

The ore sample used in the research was taken from the F3 ore bodies and the sample of the F7, F9 and F16 ore bodies which contain the average of 5.98% TR 2 O 3 ; they are multi-metals ore which is difficult to enrich, highly weather with very complex ingredients. The process of the experiment is the ore is crushed, ground, screened and classified reasonably to -0.1 mm and divided into 3 particle size with the following technique: (1) -0.020 mm is primary sludge and the rare-earth fine ore; (2) 0.075-1 mm is gotten through the sludge concentrating table with the output is the 2 parts: the heavy part which is dried magnetic separator with high magnetism to get the rare-earth fine ore and the light one; (3) Light minerals, non-magnetic and ferromagnetic minerals group are ground together to 85% of them get size within -0.075 mm then mix it with 0.020-0.075 mm group. Using flotation separator, get barite-rare earth mixture and fluorite. After that, we separate this mixture by secondary flotation and get refined rare earth, barite and fluorite mineral. The result of the theme: (1) product plan A-rare-earth fine ore has TR 2 O 3 content archive 42.07% with recovery is 69.70%; (2) product plan B-rare-earth fine ore has TR 2 O 3 content archive 29.64% with recovery is 80.01%. (author)

Crystal growth and characterization of new semiorganic nonlinear optical single crystals

Energy Technology Data Exchange (ETDEWEB)

Kulshrestha, Shobha, E-mail: shobha011986@gmail.com; Shrivastava, A. K., E-mail: ashwaniaks@rediffmail.com [School of Studies in Physics, Jiwaji University Gwalior (M.P.) – 474 011 (India)

2016-05-06

An organic material of a L-histidine monohydrochloride single crystal was grown in a distilled water solution using the slow evaporation method at 40–45°C. The grown crystal was transparent and colourless, with a size of about 20 × 9 × 5 mm{sup 3}, obtained within a period of 21 days. The solubility of grown crystals have found out at various temperatures. The UV-visible transmittance studies show that the grown crystals have wide optical transparency in the entire visible region It is observed that the crystal has transparency window from 255nm to 700nm and its energy gap (Eg) found to be is 3.1eV. The grown crystal was subjected to powder X-ray diffraction analysis, confirming that the orthorhombic crystalline nature of the crystal. To identify the surface morphology, the as grown crystal was subjected to FE-SEM technique. The chemical composition of the grown crystal was estimated by Energy dispersive X-ray analysis. The optical behaviour of the grown crystal was analyzed by PL study.

Single-crystal diffraction at the Extreme Conditions beamline P02.2: procedure for collecting and analyzing high-pressure single-crystal data.

Science.gov (United States)

Rothkirch, André; Gatta, G Diego; Meyer, Mathias; Merkel, Sébastien; Merlini, Marco; Liermann, Hanns Peter

2013-09-01

Fast detectors employed at third-generation synchrotrons have reduced collection times significantly and require the optimization of commercial as well as customized software packages for data reduction and analysis. In this paper a procedure to collect, process and analyze single-crystal data sets collected at high pressure at the Extreme Conditions beamline (P02.2) at PETRA III, DESY, is presented. A new data image format called `Esperanto' is introduced that is supported by the commercial software package CrysAlis(Pro) (Agilent Technologies UK Ltd). The new format acts as a vehicle to transform the most common area-detector data formats via a translator software. Such a conversion tool has been developed and converts tiff data collected on a Perkin Elmer detector, as well as data collected on a MAR345/555, to be imported into the CrysAlis(Pro) software. In order to demonstrate the validity of the new approach, a complete structure refinement of boron-mullite (Al5BO9) collected at a pressure of 19.4 (2) GPa is presented. Details pertaining to the data collections and refinements of B-mullite are presented.

Enabling the high capacity of lithium-rich anti-fluorite lithium iron oxide by simultaneous anionic and cationic redox

Science.gov (United States)

Zhan, Chun; Yao, Zhenpeng; Lu, Jun; Ma, Lu; Maroni, Victor A.; Li, Liang; Lee, Eungje; Alp, Esen E.; Wu, Tianpin; Wen, Jianguo; Ren, Yang; Johnson, Christopher; Thackeray, Michael M.; Chan, Maria K. Y.; Wolverton, Chris; Amine, Khalil

2017-12-01

Anionic redox reactions in cathodes of lithium-ion batteries are allowing opportunities to double or even triple the energy density. However, it is still challenging to develop a cathode, especially with Earth-abundant elements, that enables anionic redox activity for real-world applications, primarily due to limited strategies to intercept the oxygenates from further irreversible oxidation to O2 gas. Here we report simultaneous iron and oxygen redox activity in a Li-rich anti-fluorite Li5FeO4 electrode. During the removal of the first two Li ions, the oxidation potential of O2- is lowered to approximately 3.5 V versus Li+/Li0, at which potential the cationic oxidation occurs concurrently. These anionic and cationic redox reactions show high reversibility without any obvious O2 gas release. Moreover, this study provides an insightful guide to designing high-capacity cathodes with reversible oxygen redox activity by simply introducing oxygen ions that are exclusively coordinated by Li+.

TEM investigation of irradiation damage in single crystal CeO2

International Nuclear Information System (INIS)

Ye Bei; Kirk, Mark A.; Chen, Weiying; Oaks, Aaron; Rest, Jeffery; Yacout, Abdellatif; Stubbins, James F.

2011-01-01

In order to understand the evolution of radiation damage in oxide nuclear fuel, 150-1000 keV Kr ions were implanted into single crystal CeO 2 , as a simulation of fluorite ceramic UO 2 , while in situ transmission electron microscopy (TEM) observations were carried out. Two characteristic defect structures were investigated: dislocation/dislocation loops and nano-size gas bubbles. The growth behavior of defect clusters induced by 1 MeV Kr ions up to doses of 5 x 10 15 ions/cm 2 were followed at 600 deg. C and 800 deg. C. TEM micrographs clearly show the development of defect structures: nucleation of dislocation loops, transformation to extended dislocation lines, and the formation of tangled dislocation networks. The difference in dislocation growth rates at 600 deg. C and 800 deg. C revealed the important role which Ce-vacancies play in the loop formation process. Bubble formation, studied through 150 keV Kr implantations at room temperature and 600 deg. C, might be influenced by either the mobility of metal-vacancies correlated with at threshold temperature or the limitation of gas solubility as a function of temperature.

Pressure sensor using liquid crystals

Science.gov (United States)

Parmar, Devendra S. (Inventor); Holmes, Harlan K. (Inventor)

1994-01-01

A pressure sensor includes a liquid crystal positioned between transparent, electrically conductive films (18 and 20), that are biased by a voltage (V) which induces an electric field (E) that causes the liquid crystal to assume a first state of orientation. Application of pressure (P) to a flexible, transparent film (24) causes the conductive film (20) to move closer to or farther from the conductive film (18), thereby causing a change in the electric field (E'(P)) which causes the liquid crystal to assume a second state of orientation. Polarized light (P.sub.1) is directed into the liquid crystal and transmitted or reflected to an analyzer (A or 30). Changes in the state of orientation of the liquid crystal induced by applied pressure (P) result in a different light intensity being detected at the analyzer (A or 30) as a function of the applied pressure (P). In particular embodiments, the liquid crystal is present as droplets (10) in a polymer matrix (12) or in cells (14) in a polymeric or dielectric grid (16) material in the form of a layer (13) between the electrically conductive films (18 and 20). The liquid crystal fills the open wells in the polymer matrix (12) or grid (16) only partially.

Formation of defect-fluorite structured NdNiOxHy epitaxial thin films via a soft chemical route from NdNiO3 precursors.

Science.gov (United States)

Onozuka, T; Chikamatsu, A; Katayama, T; Fukumura, T; Hasegawa, T

2016-07-26

A new phase of oxyhydride NdNiOxHy with a defect-fluorite structure was obtained by a soft chemical reaction of NdNiO3 epitaxial thin films on a substrate of SrTiO3 (100) with CaH2. The epitaxial relationship of this phase relative to SrTiO3 could be controlled by changing the reaction temperature. At 240 °C, NdNiOxHy grew with a [001] orientation, forming a thin layer of infinite-layer NdNiO2 at the interface between the NdNiOxHy and the substrate. Meanwhile, a high-temperature reaction at 400 °C formed [110]-oriented NdNiOxHy without NdNiO2.

Brine history indicated by argon, krypton, chlorine, bromine, and iodine analyses of fluid inclusions from the Mississippi Valley type lead-fluorite-barite deposits at Hansonburg, New Mexico

Science.gov (United States)

Böhlke, J.K.; Irwin, J.J.

1992-01-01

Argon, krypton, chlorine, bromine, and iodine were measured in a homogeneous population of high-salinity hydrothermal fluid inclusions from the Tertiary-age Mississippi Valley-type (MVT) lead-fluorite-barite deposits at Hansonburg, New Mexico to establish new types of evidence for the history of both the fluid and the major dissolved salts. Noble gases and halogens in fluid inclusions containing 10−10–10−9 L of brine (Cl= 3 molal) were analyzed by laser microprobe noble-gas mass spectrometry (lmngms) on neutron-irradiated samples.The concentrations of36Ar (4.7 × 10−8 molal) and84Kr1.8 × 10−9 molal) in the fluid inclusions are equal to those of fresh surface waters in equilibrium with air at approximately20 ± 5°. The mole ratios ofBr/Cl (1.2 × 10−4) andI/Cl (1–2 × 10−6) are among the lowest measured in any natural waters, similar to those of modern brines formed by dissolution of Permian NaCl-bearing evaporites in southeast New Mexico.40Ar/36Ar ratios (600) are twice that of air, and indicate that the fluid inclusions had excess radiogenic40Ar (1.4 × 10−5 molal) when trapped. The amount of excess40Ar appears to be too large to have been acquired with Cl by congruent dissolution of halite-bearing evaporites, and possibly too small to have been acquired with Pb by congruent dissolution of granitic basement rocks with Proterozoic KAr ages.From thelmngms data, combined with published Pb and S isotope data, we infer the following sequence of events in the history of the Hansonburg MVT hydrothermal brine: (1) the brine originated as relatively dilute meteoric water, and it did not gain or lose atmospheric Ar or Kr after recharge; (2) the originally dilute fluid acquired the bulk of its Cl and sulfate in the subsurface after recharge by dissolving halite-bearing Permian? marine evaporites; (3) the high salinity brine then acquired most of its Pb and excess radiogenic40Ar from interactions with aquifer rocks other than evaporites, possibly clastic

Color change of gemstones by exposure to gamma rays

Energy Technology Data Exchange (ETDEWEB)

Lima, Giovanna L.C. de; Lameiras, Fernando S., E-mail: giovannalarissa17@hotmail.com, E-mail: fsl@cdtn.br [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

2015-07-01

A gem is appreciated by collectors and, when polished, widely used for jewelry manufacturing. For example, when quartz naturally or artificially acquires a color it becomes a gemstone (smoky quartz, morion, citrine, amethyst, or prasyolite). The presence of chromophore elements in a quartz sample was analysed by Fourier transform infrared spectrometry (FTIR). With a semi-quantitative analysis of the absorption FTIR spectra, it was possible to predict if colorless quartz has the potential to develop color when exposed to ionizing radiation and heat. Specific absorption bands show the presence of chromophore elements in quartz such as aluminum, iron, hydrogen, sodium, or lithium. Considering the ratio of the heights of the absorption bands of these elements, it was possible to predict the color quartz can develop. Samples of irradiated dark and light violet fluorites were analyzed by FTIR and energy-dispersive X-rays spectroscopy. The light violet samples has higher content of calcium relative to fluorine, as well higher content of hydroxyl, probably replacing fluorine in crystal lattice. Hydroxyls cannot be precursors of F color centers, which are the cause of violet color in fluorite, explaining the light violet color of hydroxyl-rich samples. (author)

Color change of gemstones by exposure to gamma rays

International Nuclear Information System (INIS)

Lima, Giovanna L.C. de; Lameiras, Fernando S.

2015-01-01

A gem is appreciated by collectors and, when polished, widely used for jewelry manufacturing. For example, when quartz naturally or artificially acquires a color it becomes a gemstone (smoky quartz, morion, citrine, amethyst, or prasyolite). The presence of chromophore elements in a quartz sample was analysed by Fourier transform infrared spectrometry (FTIR). With a semi-quantitative analysis of the absorption FTIR spectra, it was possible to predict if colorless quartz has the potential to develop color when exposed to ionizing radiation and heat. Specific absorption bands show the presence of chromophore elements in quartz such as aluminum, iron, hydrogen, sodium, or lithium. Considering the ratio of the heights of the absorption bands of these elements, it was possible to predict the color quartz can develop. Samples of irradiated dark and light violet fluorites were analyzed by FTIR and energy-dispersive X-rays spectroscopy. The light violet samples has higher content of calcium relative to fluorine, as well higher content of hydroxyl, probably replacing fluorine in crystal lattice. Hydroxyls cannot be precursors of F color centers, which are the cause of violet color in fluorite, explaining the light violet color of hydroxyl-rich samples. (author)

Crystal growth, spectroscopic and laser properties of Tm:LuAG crystal

Science.gov (United States)

Xu, X. D.; Wang, X. D.; Lin, Z. F.; Cheng, Y.; Li, D. Z.; Cheng, S. S.; Wu, F.; Zhao, Z. W.; Gao, C. Q.; Gao, M. W.; Xu, J.

2009-11-01

Tm:Lu3Al5O12 (Tm:LuAG) crystal was grown by the Czochralski method. The segregation coefficient was measured by Inductively Coupled Plasma Atomic Emission Spectrometer. The cell parameters were analyzed with X-ray powder diffraction experiments. The absorption and fluorescence spectra of Tm:LuAG crystal at room temperature were investigated. With a 20 W fiber-coupled diode laser as pump source, the continuous-wave (CW) laser action of Tm:LuAG crystal was demonstrated. The maximum output power at 2020 nm was obtained to be 3.04 W, and the slope efficiency was 25.3%.

Crystal structure and ion-diffusion pathway of inorganic materials through neutron diffraction

International Nuclear Information System (INIS)

Yashima, Masatomo

2012-01-01

The present brief review describes the application of neutron powder diffractometry and maximum-entropy method to the studies of crystal structure and diffusional pathways of mobile ions in ionic conducting ceramic materials. La 0.62 Li 0.16 TiO 3 and L i0.6 FePO 4 exhibit two- and one-dimensional networks of Li cation diffusional pathways, respectively. In the fluorite-structure ionic conductors such as celia solid solution Ce 0.93 Y 0.07 O 1.96 , bismuth oxide solid solution δ-Bi 1.4 Yb 0.6 O 3 and copper iodide CuI, a similar curved diffusion pathway along the directions is observed. In the cubic ABO 3 perovskite-type ionic conductor, lanthanum gallate solid solution, the mobile ions diffuse along a curved line keeping the interatomic distance between the B cation and O 2- anion. We have experimentally confirmed that the anisotropic thermal motions of the apex O2 atom and the interstitial O3 atoms are essential for the high oxygen permeability of the K 2 NiF 4 -type mixed conductor. Diffusion paths of proton are visualized along c axis in hexagonal hydroxyapatite. (author)

A general way of analyzing EPR spectroscopy for a pair of magnetically equivalent lanthanide ions in crystal: A case study of BaY2F8:Yb3+ crystal

Science.gov (United States)

Liu, Honggang; Zheng, Wenchen

2018-01-01

Electron paramagnetic resonance (EPR) is an important tool to study the complex interactions (e.g., exchange and magnetic dipole-dipole interactions) for a pair of lanthanide (Ln) ions in crystals. How to analyze these EPR spectra and obtain the strength of each interaction is a challenge for experimentalists. In this work, a general way of calculating the EPR lines for two magnetically equivalent Ln ions is given by us to solve this problem. In order to explain their EPR spectra and obtain exchange interaction parameters Ji (i = x, y, z) between them, we deduce the analytic formulas for computing the angular dependent EPR lines for such Ln pairs under the condition of weak coupling (|Ji| ≪ hv, where v is the microwave frequency in the EPR experiment) and set up the spin-Hamiltonian energy matrix that should be diagonalized to obtain these lines if intermediate (|Ji| ˜ hv) and strong (|Ji| > hv) couplings are encountered. To verify our method, the experimental EPR spectra for the Yb3+ doped BaY2F8 crystal are considered by us and the EPR lines from the isolated Yb3+ ion and Yb3+-Yb3+ pair with distance R equal to 0.371 nm are identified clearly. Moreover, exchange interaction parameters (Jx ≈ -0.04 cm-1, Jy ≈ -0.24 cm-1, and Jz ≈ -0.1 cm-1) for such a pair are also determined by our calculations. This case study demonstrates that the theoretical method given in this work would be useful and could be applied to understand interactions between Ln ions in crystals.

Measurement of deposition rate and ion energy distribution in a pulsed dc magnetron sputtering system using a retarding field analyzer with embedded quartz crystal microbalance.

Science.gov (United States)

Sharma, Shailesh; Gahan, David; Scullin, Paul; Doyle, James; Lennon, Jj; Vijayaraghavan, Rajani K; Daniels, Stephen; Hopkins, M B

2016-04-01

A compact retarding field analyzer with embedded quartz crystal microbalance has been developed to measure deposition rate, ionized flux fraction, and ion energy distribution arriving at the substrate location. The sensor can be placed on grounded, electrically floating, or radio frequency (rf) biased electrodes. A calibration method is presented to compensate for temperature effects in the quartz crystal. The metal deposition rate, metal ionization fraction, and energy distribution of the ions arriving at the substrate location are investigated in an asymmetric bipolar pulsed dc magnetron sputtering reactor under grounded, floating, and rf biased conditions. The diagnostic presented in this research work does not suffer from complications caused by water cooling arrangements to maintain constant temperature and is an attractive technique for characterizing a thin film deposition system.

Measurement of deposition rate and ion energy distribution in a pulsed dc magnetron sputtering system using a retarding field analyzer with embedded quartz crystal microbalance

Energy Technology Data Exchange (ETDEWEB)

Sharma, Shailesh, E-mail: shailesh.sharma6@mail.dcu.ie [Dublin City University, Glasnevin, Dublin 9 (Ireland); Impedans Limited, Chase House, City Junction Business Park, Northern Cross, D17 AK63, Dublin 17 (Ireland); Gahan, David, E-mail: david.gahan@impedans.com; Scullin, Paul; Doyle, James; Lennon, Jj; Hopkins, M. B. [Impedans Limited, Chase House, City Junction Business Park, Northern Cross, D17 AK63, Dublin 17 (Ireland); Vijayaraghavan, Rajani K.; Daniels, Stephen [Dublin City University, Glasnevin, Dublin 9 (Ireland)

2016-04-15

A compact retarding field analyzer with embedded quartz crystal microbalance has been developed to measure deposition rate, ionized flux fraction, and ion energy distribution arriving at the substrate location. The sensor can be placed on grounded, electrically floating, or radio frequency (rf) biased electrodes. A calibration method is presented to compensate for temperature effects in the quartz crystal. The metal deposition rate, metal ionization fraction, and energy distribution of the ions arriving at the substrate location are investigated in an asymmetric bipolar pulsed dc magnetron sputtering reactor under grounded, floating, and rf biased conditions. The diagnostic presented in this research work does not suffer from complications caused by water cooling arrangements to maintain constant temperature and is an attractive technique for characterizing a thin film deposition system.

Crystal growth, morphology, thermal and spectral studies of an organosulfur nonlinear optical bis(guanidinium) 5-sulfosalicylate (BG5SS) single crystals

Science.gov (United States)

Dhavamurthy, M.; Peramaiyan, G.; Babu, K. Syed Suresh; Mohan, R.

2015-04-01

Organosulfur nonlinear optical single crystals of orthorhombic bis(guanidinium) 5-sulfosalicylate (2CH6N3 +·C7H4O6S2-·H2O) with dimension 14 mm × 4 mm × 5 mm have been grown from methanol and water solvents in 1:1 ratio by the slow evaporation growth technique. The crystal structure and morphology of the crystals have been studied by single-crystal X-ray diffraction. FTIR spectroscopic studies were carried out to identify the functional groups and vibrational modes present in the grown crystals. The UV-Vis spectrum was studied to analyze the linear optical properties of the grown crystals. The thermal gravimetric analysis was conducted on the grown crystals, and the result revealed that the grown crystal is thermally stable up to 65 °C. The dielectric tensor components ɛ 11, ɛ 22 and ɛ 33 of BG5SS crystal were evaluated as a function of frequency at 40 °C. The surface laser damage threshold for the grown crystal was measured using Nd:YAG laser. Further, Vickers micro-hardness study was carried out to analyze the mechanical strength of the grown crystals for various loads.

Pressure derivatives of the second-order elastic constants of strontium, barium, and lead nitrate

International Nuclear Information System (INIS)

Bedi, S.S.; Verma, M.P.

1980-01-01

An interpretation is given of the measured results on the pressure derivatives of second-order elastic constants (SOEC) of strontium barium, and lead nitrate crystallizing in the fluorite type structure from the Lundquist potential. Potential parameters are determined from the experimental values of SOEC and the equilibrium condition

Inelastic light scattering in crystals

Science.gov (United States)

Sushchinskii, M. M.

The papers presented in this volume are concerned with a variety of problems in optics and solid state physics, such as Raman scattering of light in crystals and disperse media, Rayleigh and inelastic scattering during phase transitions, characteristics of ferroelectrics in relation to the general soft mode concept, and inelastic spectral opalescence. A group-theory approach is used to classify the vibrational spectra of the crystal lattice and to analyze the properties of idealized crystal models. Particular attention is given to surface vibrational states and to the study of the surface layers of crystals and films by light scattering methods.

REDUPP. Second annual report

International Nuclear Information System (INIS)

Zetterstroem Evins, L.; Vaehaenen, M.

2013-05-01

Understanding the interactions between solid surface and fluid during the dissolution process is essential for developing a model for spent fuel dissolution. This project aims to enhance the understanding of the dissolution process of fluorite-type materials; these have the same crystal structure as nuclear fuel. CaF 2 , CeO 2 , ThO 2 and UO 2 are here used in dissolution studies during which the evolution of the solution and surface is monitored as the dissolution proceeds. For the UO 2 -experiments, the effect of natural groundwater on the dissolution of a surface emitting alpha radiation is investigated. The goal is to use the experimental results in combination with first-principles modelling to formulate a model describing the surfaces of dissolving fluorite-type materials. The project is on-going and this report presents the progress after two years. The experimental results reported here point towards effects of surface area and surface area to volume ratios, exposed grain boundaries, and bulk vs. 'local' solubility. The importance of well-controlled analytical conditions and high-resolution measurements are emphasized, in order to distinguish differences between effects of remnant fines, amorphous precipitates, grain boundaries, surface defects and crystallographic orientation of the exposed surfaces. The progress with regards to modelling shows that a surface model is formulated which can predict the surface formation energies of all crystal planes of the fluorite structure. It has been shown that this quantity can be related with the experimental surface stability during dissolution, and that for any material with the fluorite structure the same relation between computed surface stability and experimental stability (dissolution rate) will hold. The work on setting up a model of the dissolution process is ongoing; this kind of modelling is computationally very demanding as it requires a combination of molecular dynamics simulations and ab initio electronic

Topotactic oxidation pathway of ScTiO3 and high-temperature structure evolution of ScTiO3.5 and Sc4Ti3O12-type phases.

Science.gov (United States)

Shafi, Shahid P; Hernden, Bradley C; Cranswick, Lachlan M D; Hansen, Thomas C; Bieringer, Mario

2012-02-06

The novel oxide defect fluorite phase ScTiO(3.5) is formed during the topotactic oxidation of ScTiO(3) bixbyite. We report the oxidation pathway of ScTiO(3) and structure evolution of ScTiO(3.5), Sc(4)Ti(3)O(12), and related scandium-deficient phases as well as high-temperature phase transitions between room temperature and 1300 °Cusing in-situ X-ray diffraction. We provide the first detailed powder neutron diffraction study for ScTiO(3). ScTiO(3) crystallizes in the cubic bixbyite structure in space group Ia3 (206) with a = 9.7099(4) Å. The topotactic oxidation product ScTiO(3.5) crystallizes in an oxide defect fluorite structure in space group Fm3m (225) with a = 4.89199(5) Å. Thermogravimetric and differential thermal analysis experiments combined with in-situ X-ray powder diffraction studies illustrate a complex sequence of a topotactic oxidation pathway, phase segregation, and ion ordering at high temperatures. The optimized bulk synthesis for phase pure ScTiO(3.5) is presented. In contrast to the vanadium-based defect fluorite phases AVO(3.5+x) (A = Sc, In) the novel titanium analogue ScTiO(3.5) is stable over a wide temperature range. Above 950 °C ScTiO(3.5) undergoes decomposition with the final products being Sc(4)Ti(3)O(12) and TiO(2). Simultaneous Rietveld refinements against powder X-ray and neutron diffraction data showed that Sc(4)Ti(3)O(12) also exists in the defect fluorite structure in space group Fm3m (225) with a = 4.90077(4) Å. Sc(4)Ti(3)O(12) undergoes partial reduction in CO/Ar atmosphere to form Sc(4)Ti(3)O(11.69(2)).

Neutron-diffraction study of the crystal structure of the superconductor TiSr2(Eu0.8Ce0.2)2Cu2Oz

International Nuclear Information System (INIS)

Ishigaki, T.; Ogasawara, Y.; Oikawa, K.; Hoshikawa, A.; Kamiyama, T.

2004-01-01

TiSr 2 (RE 1-x Ce x ) 2 Cu 2 O z superconductors (T c ∼20 K) have a 1222-structure with fluorite blocks. Neutron diffraction has been performed on the Eu-containing compound TiSr 2 (Eu 0.8 Ce 0.2 ) 2 Cu 2 O z , with natural Eu, and its crystal structure was refined. The neutron powder diffraction experiment was carried out on the VEGA diffractometer at KENS. The sample was contained in a thin flat cell of 0.5 mm thickness in order to reduce the large absorption effects of natural Eu. The absorption correction for the flat sample was taken into account in the Rietveld refinement. The results show that the O(1) atom in the Ti-layer is shifted from the 4c-site to the split site (8j), and that the concentration is deficient (g∼0.19)

Searching for new TiO2 crystal phases with better photoactivity

International Nuclear Information System (INIS)

Shang, Cheng; Zhao, Wei-Na; Liu, Zhi-Pan

2015-01-01

Using the recently developed stochastic surface walking global optimization method, this work explores the potential energy surface of TiO 2 crystals aiming to search for likely phases with higher photocatalytic activity. Five new phases of TiO 2 are identified and the lowest energy phase transition pathways connecting to the most abundant phases (rutile and anatase) are determined. Theory shows that a high-pressure phase, α-PbO 2 -like form (TiO 2 II) acts as the key intermediate in between rutile and anatase. The phase transition of anatase to rutile belongs to the diffusionless Martensitic phase transition, occurring through a set of habit planes, rutile(101)//TiO 2 II(001), and TiO 2 II(100)//anatase(112). With regard to the photocatalytic activity, three pure phases (#110, pyrite and fluorite) are found to possess the band gap narrower than rutile, but they are unstable at the low-pressure condition. Instead, a mixed anatase-TiO 2 II phase is found to have good stability and narrower band gap than both parent phases. Because of the phase separation, the mixed phase is also expected to improve the photocatalytic performance by reducing the probability of the electron-hole pair recombination. (paper)

The comparison of automated urine analyzers with manual microscopic examination for urinalysis automated urine analyzers and manual urinalysis.

Science.gov (United States)

İnce, Fatma Demet; Ellidağ, Hamit Yaşar; Koseoğlu, Mehmet; Şimşek, Neşe; Yalçın, Hülya; Zengin, Mustafa Osman

2016-08-01

Urinalysis is one of the most commonly performed tests in the clinical laboratory. However, manual microscopic sediment examination is labor-intensive, time-consuming, and lacks standardization in high-volume laboratories. In this study, the concordance of analyses between manual microscopic examination and two different automatic urine sediment analyzers has been evaluated. 209 urine samples were analyzed by the Iris iQ200 ELITE (İris Diagnostics, USA), Dirui FUS-200 (DIRUI Industrial Co., China) automatic urine sediment analyzers and by manual microscopic examination. The degree of concordance (Kappa coefficient) and the rates within the same grading were evaluated. For erythrocytes, leukocytes, epithelial cells, bacteria, crystals and yeasts, the degree of concordance between the two instruments was better than the degree of concordance between the manual microscopic method and the individual devices. There was no concordance between all methods for casts. The results from the automated analyzers for erythrocytes, leukocytes and epithelial cells were similar to the result of microscopic examination. However, in order to avoid any error or uncertainty, some images (particularly: dysmorphic cells, bacteria, yeasts, casts and crystals) have to be analyzed by manual microscopic examination by trained staff. Therefore, the software programs which are used in automatic urine sediment analysers need further development to recognize urinary shaped elements more accurately. Automated systems are important in terms of time saving and standardization.

Computer simulation on spatial resolution of X-ray bright-field imaging by dynamical diffraction theory for a Laue-case crystal analyzer

International Nuclear Information System (INIS)

Suzuki, Yoshifumi; Chikaura, Yoshinori; Ando, Masami

2011-01-01

Recently, dark-field imaging (DFI) and bright-field imaging (BFI) have been proposed and applied to visualize X-ray refraction effects yielded in biomedical objects. In order to clarify the spatial resolution due to a crystal analyzer in Laue geometry, a program based on the Takagi-Taupin equation was modified to be used for carrying out simulations to evaluate the spatial resolution of images coming into a Laue angular analyzer (LAA). The calculation was done with a perfect plane wave for diffraction wave-fields, which corresponded to BFI, under the conditions of 35 keV and a diffraction index 440 for a 2100 μm thick LAA. As a result, the spatial resolution along the g-vector direction showed approximately 37.5 μm. 126 μm-thick LAA showed a spatial resolution better than 3.1 μm under the conditions of 13.7 keV and a diffraction index 220.

Effect of process parameters on crystal size and morphology of lactose in ultrasound-assisted crystallization

Energy Technology Data Exchange (ETDEWEB)

Patel, S.R.; Murthy, Z.V.P. [Chemical Engineering Department, S.V. National Institute of Technology, Surat - 395 007, Gujarat (India)

2011-03-15

{alpha}-lactose monohydrate is widely used as a pharmaceutical excipient. Drug delivery system requires the excipient to be of narrow particle size distribution with regular particle shape. Application of ultrasound is known to increase or decrease the growth rate of certain crystal faces and controls the crystal size distribution. In the present paper, effect of process parameters such as sonication time, anti-solvent concentration, initial lactose concentration and initial pH of sample on lactose crystal size, shape and thermal transition temperature was studied. The parameters were set according to the L{sub 9}-orthogonal array method at three levels and recovered lactose from whey by sonocrystallization. The recovered lactose was analyzed by particle size analyzer, scanning electron microscopy and differential scanning calorimeter. It was found that the morphology of lactose crystal was rod/needle like shape. Crystal size distribution of lactose was observed to be influenced by different process parameters. From the results of analysis of variance, the sonication time interval was found to be the most significant parameter affecting the volume median diameter of lactose with the highest percentage contribution (74.28%) among other parameters. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Key insights on the structural characterization of textured Er{sub 2}O{sub 3}-ZrO{sub 2} nano-oxides prepared by a surfactant-free solvothermal route

Energy Technology Data Exchange (ETDEWEB)

Julian-Lopez, Beatriz, E-mail: julian@qio.uji.es [Departamento de Quimica Inorganica y Organica, Universitat Jaume I, Avda. Vicente Sos Baynat s/n, 12071 Castellon (Spain); Luz, Veronica de la; Gonell, Francisco; Cordoncillo, Eloisa [Departamento de Quimica Inorganica y Organica, Universitat Jaume I, Avda. Vicente Sos Baynat s/n, 12071 Castellon (Spain); Lopez-Haro, Miguel; Calvino, Jose J. [Departamento de Ciencia de los Materiales e Ingenieria Metalurgica y Quimica Inorganica, Facultad de Ciencias, Universidad de Cadiz, Campus Rio San Pedro, Puerto Real, 11510 Cadiz (Spain); Escribano, Purificacion [Departamento de Quimica Inorganica y Organica, Universitat Jaume I, Avda. Vicente Sos Baynat s/n, 12071 Castellon (Spain)

2012-04-05

Highlights: Black-Right-Pointing-Pointer Structural resolution of fluorite vs. pyrochlore in small nanocrystals. Black-Right-Pointing-Pointer Simple template-free solvothermal synthesis of Er{sub 2}O{sub 3}-ZrO{sub 2} nanooxides. Black-Right-Pointing-Pointer Good control over size, morphology and surface properties (280 m{sup 2} g{sup -1}). - Abstract: Zirconia-mixed oxides can exhibit cubic fluorite and pyrochlore structure. Their discrimination is not easy in nanooxides with a crystal size close to that of a few unit cells. In this work, high resolution transmission electron microscopy (HRTEM) has been employed to provide key insights on the structural characterization of a nanometric and porous mixed Er{sub 2}O{sub 3}-ZrO{sub 2} oxide. The material was prepared by a simple template-free solvothermal route that provided nanocrystalline powders at low temperature (170 Degree-Sign C) with spherical morphology, and high surface area ({approx}280 m{sup 2} g{sup -1}). The porosity was mainly originated from the assembling of organic complexing agents used in the synthesis to limit the crystal growth and to control hydrolysis and condensation reaction rates. The samples were characterized by thermal analysis, X-ray diffraction, scanning electron microscopy and N{sub 2} adsorption measurements. A detailed study by HRTEM was conducted on microtomed samples. It was observed that the material was made of nanocrystals packed into spherical agglomerates. HRTEM simulations indicated that it is not possible to identify the pyrochlore phase in nanoparticles with diameter below 2 nm. In our samples, the analysis of the HRTEM lattice images by means of fast Fourier transform (FFT) techniques revealed well defined spots that can be assigned to different planes of a cubic fluorite-type phase, even in the raw material. Raman spectroscopy was also a powerful technique to elucidate the crystalline phase of the materials with the smallest nanoparticles. HREM and Raman results evidenced

Key insights on the structural characterization of textured Er2O3–ZrO2 nano-oxides prepared by a surfactant-free solvothermal route

International Nuclear Information System (INIS)

Julián-López, Beatriz; Luz, Verónica de la; Gonell, Francisco; Cordoncillo, Eloisa; López-Haro, Miguel; Calvino, Jose J.; Escribano, Purificación

2012-01-01

Highlights: ► Structural resolution of fluorite vs. pyrochlore in small nanocrystals. ► Simple template-free solvothermal synthesis of Er 2 O 3 –ZrO 2 nanooxides. ► Good control over size, morphology and surface properties (280 m 2 g −1 ). - Abstract: Zirconia-mixed oxides can exhibit cubic fluorite and pyrochlore structure. Their discrimination is not easy in nanooxides with a crystal size close to that of a few unit cells. In this work, high resolution transmission electron microscopy (HRTEM) has been employed to provide key insights on the structural characterization of a nanometric and porous mixed Er 2 O 3 –ZrO 2 oxide. The material was prepared by a simple template-free solvothermal route that provided nanocrystalline powders at low temperature (170 °C) with spherical morphology, and high surface area (∼280 m 2 g −1 ). The porosity was mainly originated from the assembling of organic complexing agents used in the synthesis to limit the crystal growth and to control hydrolysis and condensation reaction rates. The samples were characterized by thermal analysis, X-ray diffraction, scanning electron microscopy and N 2 adsorption measurements. A detailed study by HRTEM was conducted on microtomed samples. It was observed that the material was made of nanocrystals packed into spherical agglomerates. HRTEM simulations indicated that it is not possible to identify the pyrochlore phase in nanoparticles with diameter below 2 nm. In our samples, the analysis of the HRTEM lattice images by means of fast Fourier transform (FFT) techniques revealed well defined spots that can be assigned to different planes of a cubic fluorite-type phase, even in the raw material. Raman spectroscopy was also a powerful technique to elucidate the crystalline phase of the materials with the smallest nanoparticles. HREM and Raman results evidenced that the material is constituted, irrespective of the temperature of the final calcination step, by an ensemble of randomly

Random photonic crystal optical memory

International Nuclear Information System (INIS)

Wirth Lima Jr, A; Sombra, A S B

2012-01-01

Currently, optical cross-connects working on wavelength division multiplexing systems are based on optical fiber delay lines buffering. We designed and analyzed a novel photonic crystal optical memory, which replaces the fiber delay lines of the current optical cross-connect buffer. Optical buffering systems based on random photonic crystal optical memory have similar behavior to the electronic buffering systems based on electronic RAM memory. In this paper, we show that OXCs working with optical buffering based on random photonic crystal optical memories provides better performance than the current optical cross-connects. (paper)

Kinetics of barium sulphate reaction crystallization in crystallizers with internal circulation

Directory of Open Access Journals (Sweden)

J. Koralewska

2008-06-01

Full Text Available Kinetic calculation results describing the observed nucleation and growth rates of barium sulphate crystals precipitated in an integrated reaction-crystallization process in a barium sulphate-ammonium chloride-water system are presented and analyzed. The scope of experiments included two continuous model DTM-type crystallizers (Draft Tube Magma with internal circulation of the suspension forced by a liquid jet-pump device responsible for stable and intensive enough ascending/descending flow of BaSO4 crystal magma in a mixing chamber. For comparison purposes the experimental data corresponding to a continuous DT (Draft Tube crystallizer with propeller agitator are presented and discussed. The various types of laboratory crystallizers used were fed with concentrated water solution of barium chloride (of 10 or 24 mass % and - in a stoichiometric proportion - crystalline ammonium sulphate, assuming isothermal (348 K and hydrodynamic (average residence time of suspension in a crystallizer: 900 s process conditions. The observed nucleation and growth rates of barium sulphate crystals were estimated on the basis of crystal size distributions (CSDs using convenient calculation scheme derived for an MSMPR (Mixed Suspension Mixed Product Removal model approach. Considering the experimental population density distribution courses, a size-dependent growth (SDG phenomenon was taken into account in the kinetic calculations. Five SDG kinetic models recommended in the accessible literature were used for kinetic parameter values estimation. It was proved statistically, that Rojkowski’s two SDG models (hyperbolic and exponential best suit for our own experimental data description. The experimental data presented can be practically applied for improving the constructions of liquid jet-pump DTM crystallizers recommended for reaction crystallization of sparingly soluble inorganic salts (especially for high concentrations of reaction substrates in the modern

The comparison of automated urine analyzers with manual microscopic examination for urinalysis automated urine analyzers and manual urinalysis

Directory of Open Access Journals (Sweden)

Fatma Demet Ä°nce

2016-08-01

Full Text Available Objectives: Urinalysis is one of the most commonly performed tests in the clinical laboratory. However, manual microscopic sediment examination is labor-intensive, time-consuming, and lacks standardization in high-volume laboratories. In this study, the concordance of analyses between manual microscopic examination and two different automatic urine sediment analyzers has been evaluated. Design and methods: 209 urine samples were analyzed by the Iris iQ200 ELITE (Ä°ris Diagnostics, USA, Dirui FUS-200 (DIRUI Industrial Co., China automatic urine sediment analyzers and by manual microscopic examination. The degree of concordance (Kappa coefficient and the rates within the same grading were evaluated. Results: For erythrocytes, leukocytes, epithelial cells, bacteria, crystals and yeasts, the degree of concordance between the two instruments was better than the degree of concordance between the manual microscopic method and the individual devices. There was no concordance between all methods for casts. Conclusion: The results from the automated analyzers for erythrocytes, leukocytes and epithelial cells were similar to the result of microscopic examination. However, in order to avoid any error or uncertainty, some images (particularly: dysmorphic cells, bacteria, yeasts, casts and crystals have to be analyzed by manual microscopic examination by trained staff. Therefore, the software programs which are used in automatic urine sediment analysers need further development to recognize urinary shaped elements more accurately. Automated systems are important in terms of time saving and standardization. Keywords: Urinalysis, Autoanalysis, Microscopy

Experimental investigation of 4-dimensional superspace crystals

International Nuclear Information System (INIS)

Rasing, T.; Janner, A.

1983-09-01

The symmetry of incommensurate crystals can be described by higher dimensional space groups in the so called superspace approach. The basic ideas are explained and used for showing that superspace groups provide an adequate frame for analyzing experimental results on incommensurate crystals

Band Gap Transition Studies of U:ThO2 Using Cathodoluminescence

Science.gov (United States)

2014-03-27

regarding x-ray fluorescence. 2.1 Atomic Properties of Ux:Th1−xO2 Thorium and uranium dioxide are metal oxides with the fluorite crystal structure...thorium oxide is a material upon which few studies have been performed. The goal of this research is to determine how the insertion of uranium atoms into...doped thorium oxide crystal, 041 TU, with uranium mass concentration of 22.7% before chemical cleaning. Mass pre-cleaning: 0.341 g. 7 Figure 1.5

Crystal growth, spectral properties, and laser demonstration of laser crystal Nd:LYSO

Science.gov (United States)

Li, D. Z.; Xu, X. D.; Zhou, D. H.; Zhuang, S. D.; Wang, Z. P.; Xia, C. T.; Wu, F.; Xu, J.

2010-11-01

A Nd:LYSO crystal has been grown by the Czochralski technique. The cell parameters were analyzed with X-ray diffraction (XRD). The Judd-Ofelt intense parameters Ω2,4,6 were obtained to be 2.65, 5.75, and 7.37×10-20 cm2, respectively. The absorption and emission cross sections and the branching ratios were calculated. The large absorption cross section (6.14×10-20 cm2) and broad absorption band (5 nm) around 811 nm indicate that this crystal can be pumped efficiently by laser diodes. The broad emission band from the 4F3/2 multiplet shows that the crystal is a promising medium for ultrashort pulse lasers. Pumped by a laser diode, the maximum 814 mW continuous-wave laser output has been obtained with a slope efficiency of 28.9%. All the results show that this crystal is a promising laser material.

Crystal growth, spectral properties, and laser demonstration of laser crystal Nd:LYSO

International Nuclear Information System (INIS)

Li, D Z; Xu, X D; Zhou, D H; Xia, C T; Wu, F; Zhuang, S D; Wang, Z P; Xu, J

2010-01-01

A Nd:LYSO crystal has been grown by the Czochralski technique. The cell parameters were analyzed with X-ray diffraction (XRD). The Judd-Ofelt intense parameters Ω 2,4,6 were obtained to be 2.65, 5.75, and 7.37×10 -20 cm 2 , respectively. The absorption and emission cross sections and the branching ratios were calculated. The large absorption cross section (6.14×10 -20 cm 2 ) and broad absorption band (5 nm) around 811 nm indicate that this crystal can be pumped efficiently by laser diodes. The broad emission band from the 4 F 3/2 multiplet shows that the crystal is a promising medium for ultrashort pulse lasers. Pumped by a laser diode, the maximum 814 mW continuous-wave laser output has been obtained with a slope efficiency of 28.9%. All the results show that this crystal is a promising laser material

Simulation; an everyday tool for research in chemical kinetics

International Nuclear Information System (INIS)

Nakhle, M.; Roux, P.; Thomas de Montpreville, C.

1985-08-01

In order to make apparent the facilities offered by the NEPTUNIX package in solving some complex problems in chemical kinetics, the paper deals with its application to a particular example taken from material science: assistance to the validation of mechanisms governing colloids growth in a fluorite crystal when it is irradiated by an electron beam

Thermally stimulated depolarization currents in the natural fluorite

International Nuclear Information System (INIS)

Valerio, Mario Ernesto Giroldo

1986-01-01

The present work deals with natural calcium fluoride from Criciuma, Santa Catarina. Thermally Stimulated Depolarization Currents (TSDC) can be used to determine the properties of dipole defects present in this crystal. The TSDC spectrum of this material shows three bands in the temperature range of 80 to 450 K. The first one, at 130 K, is due the dipoles formed by a trivalent impurity and an interstitial fluorine ion in the next nearest position of an impurity ion (nn R s 3+ -F i - ). The second one, at 102 k, is due to the presence of small aggregates of dipoles (like a dimer). The last band, at 360 k is due to the formation of Large Clusters. The continuous distribution model gave the best fit for these bands with mean activation energies of 0.41 eV, 0.595 eV and 1.02 eV for the first, second and third band respectively. Thermal treatments can modify the number of dipoles, dimers and clusters present in the crystal. The variation in the areas under each band can be used to measure this effect. In this work we used thermal treatments between 15 minutes and 10 hours and temperatures between 200 deg C and 500 deg C. For thermal treatments at 300 deg C, the dipoles and dimers are created and the clusters are destroyed as the time of thermal treatment increases. At 400 deg C the clusters are created and the dipoles and dimers and 350 deg C for the clusters. (author)

Tunable Channel Drop Filter in a Two-Dimensional Photonic Crystal Modulated by a Nematic Liquid Crystal

Directory of Open Access Journals (Sweden)

2006-01-01

Full Text Available Photonic crystals (PCs have many potential applications because of their ability to control light-wave propagation and because PC-based waveguides may be integrated into optical circuits. We propose a novel tunable PC channel drop filter based on nematic liquid crystals and investigate its properties numerically by using the finite-difference time-domain (FDTD method. The refractive indices of liquid crystals can be actively modulated after infiltrating nematic liquid crystals into the microcavity in PC waveguides with square lattices. Then we can control light propagation in a PC waveguide. We analyze the Q -factors and resonance frequencies of a tunable PC channel drop filter by considering various indices modulation of liquid crystals. The novel component can be used as wavelength division multiplexing in photonic integrated circuits.

Optimizing the crystal size and habit of beta-sitosterol in suspension

DEFF Research Database (Denmark)

von Bonsdorff-Nikander, Anna; Rantanen, Jukka; Christiansen, Leena

2003-01-01

surfactant, polysorbate 80, has on crystal size distribution and the polymorphic form. This study describes the optimization of the crystallization process, with the object of preparing crystals as small as possible. Particle size distribution and habit were analyzed using optical microscopy, and the crystal...

Crystal growth and characterization of a semiorganic nonlinear optical single crystal of gamma glycine

International Nuclear Information System (INIS)

Prakash, J. Thomas Joseph; Kumararaman, S.

2008-01-01

Gamma glycine has been successfully synthesized by taking glycine and potassium chloride and single crystals have been grown by solvent evaporation method for the first time. The grown single crystals have been analyzed with XRD, Fourier transform infrared (FTIR), and thermo gravimetric and differential thermal analyses (TG/DTA) measurements. Its mechanical behavior has been assessed by Vickers microhardness measurements. Its nonlinear optical property has been tested by Kurtz powder technique. Its optical behavior was examined by UV-vis., and found that the crystal is transparent in the region between 240 and 1200 nm. Hence, it may be very much useful for the second harmonic generation (SHG) applications

Crystallization of glycine with ultrasound

DEFF Research Database (Denmark)

Louhi-Kultanen, Marjatta; Karjalainen, Milja; Rantanen, Jukka

2006-01-01

Sonocrystallization has proved to be an efficient tool to influence the external appearance and structure of a crystalline product obtained by various crystallization methods. The present work focuses on high intensity sonocrystallization of glycine by varying amplitude of ultrasound with an ultr...... ultrasound power. This study also showed, the higher the ultrasound amplitude the smaller the crystals obtained.......Sonocrystallization has proved to be an efficient tool to influence the external appearance and structure of a crystalline product obtained by various crystallization methods. The present work focuses on high intensity sonocrystallization of glycine by varying amplitude of ultrasound...... with an ultrasound frequency of 20kHz at two temperature ranges 40-50 and 20-30 degrees C in a jacketed 250-ml cooling crystallizer equipped with a stirrer. The polymorph composition of the obtained crystals was analyzed with a temperature variable X-ray powder diffractometer (XRPD). XRPD results showed that...

Synthetic murataite-3C, a complex form for long-term immobilization of nuclear waste. Crystal structure and its comparison with natural analogues

Energy Technology Data Exchange (ETDEWEB)

Pakhomova, Anna S.; Krivovichev, Sergey V. [St. Petersburg State Univ. (Russian Federation). Dept. of Crystallography; Yudintsev, Sergey V. [Institute of Geology of Ore Deposits, Petrography, Mineralogy and Geochemistry, St. Petersburg (Russian Federation); Stefanovsky, Sergey V. [MosNPO Radon, Moscow (Russian Federation)

2013-03-01

The structure of synthetic murataite-3C intended for long-term immobilization of high-level radioactive waste has been solved using crystals prepared by melting in an electric furnace at 1500 C. The material is cubic, F- anti 43m, a = 14.676(15) A, V = 3161.31(57) A{sup 3}. The structure is based upon a three-dimensional framework consisting of {alpha}-Keggin [Al{sup [4]}Ti{sub 12}{sup [6]}O{sub 40}] clusters linked by sharing the O5 atoms. The Keggin-cluster-framework interpenetrates with the metal-oxide substructure that can be considered as a derivative of the fluorite structure. The crystal chemical formula of synthetic murataite-3C derived from the obtained structure model can be written as {sup [8]}Ca{sub 6}{sup [8]}Ca{sub 4}{sup [6]}Ti{sub 12}{sup [5]}Ti{sub 4}{sup [4]}AlO{sub 42}. Its comparison with the natural murataite shows that the synthetic material has a noticeably less number of vacancies in the cation substructure and contains five instead of four symmetrically independent cation positions. The presence of the additional site essentially increases the capacity of synthetic murataite with respect to large heavy cations such as actinides, rare earth and alkaline earth metals in comparison with the material of natural origin. (orig.)

Unidirectional growth and characterization of L-arginine monohydrochloride monohydrate single crystals

International Nuclear Information System (INIS)

Sangeetha, K.; Babu, R. Ramesh; Bhagavannarayana, G.; Ramamurthi, K.

2011-01-01

Highlights: → L-Arginine monohydrochloride monohydrate (LAHCl) single crystal was grown successfully by unidirectional solution growth method for the first time. → High crystalline perfection was observed for UDS grown crystal compared to CS grown crystal. → The optical transparency and mechanical stability are high for UDS grown LAHCl single crystal. → Optical birefringence measurement on this material. → The piezoelectric resonance frequencies observation - first time observation on this material. - Abstract: L-Arginine monohydrochloride monohydrate (LAHCl) single crystals were grown successfully by conventional and unidirectional solution growth methods. The crystalline perfection of grown crystals was analyzed by high-resolution X-ray diffraction. The linear optical transmittance, mechanical stability of conventional and unidirectional grown LAHCl single crystals were analyzed and compared along (0 0 1) plane. The refractive index and birefringence of LAHCl single crystals were also measured using He-Ne laser source. From the dielectric studies, piezoelectric resonance frequencies were observed in kHz frequency range for both conventional and unidirectional grown LAHCl single crystals along (0 0 1) plane.

Size effects in crystal plasticity

DEFF Research Database (Denmark)

Borg, Ulrik

2007-01-01

Numerical analyses of plasticity size effects have been carried out for different problems using a developed strain gradient crystal plasticiy theory. The theory employs higher order stresses as work conjugates to slip gradients and uses higher order boundary conditions. Problems on localization...... of plastic flow in a single crystal, grain boundary effects in a bicrystal, and grain size effects in a polycrystal are studied. Single crystals containing micro-scale voids have also been analyzed at different loading conditions with focus on the stress and deformation fields around the voids, on void...... growth and interaction between neighboring voids, and on a comparison between the developed strain gradient crystal plasticity theory and a discrete dislocation plasticity theory. Furthermore, voids and rigid inclusions in isotropic materials have been studied using a strain gradient plasticity theory...

Effect of γ-radiation on crystallization of polycaprolactone

International Nuclear Information System (INIS)

Zhu Guangming; Xu, Qianyong; Qin Ruifeng; Yan Hongxia; Liang Guozheng

2005-01-01

The crystallization behavior of radiation cross-linked poly(ε-caprolactone) (PCL) was studied by DSC at different cooling rates. The crystallization process was analyzed by the Ozawa equation and the Mo-Zhishen method that is developed from combining the Avrami equation and the Ozawa equation. It was concluded that the crystallization of radiation crosslinked PCL is governed by heterogeneous nucleation and single-dimension growth; the crystal fraction and rates of crystallization are related to the radiation dose and degree of cross-linking; the relationship between relative crystallinity and time follows the Ozawa equation: The higher the degree of crosslinking, the less the crystal velocity constant. The activation energy of crystallization for irradiated PCL is between 65 and 54kJ/mol

Disorder in Protein Crystals.

Science.gov (United States)

Clarage, James Braun, II

1990-01-01

Methods have been developed for analyzing the diffuse x-ray scattering in the halos about a crystal's Bragg reflections as a means of determining correlations in atomic displacements in protein crystals. The diffuse intensity distribution for rhombohedral insulin, tetragonal lysozyme, and triclinic lysozyme crystals was best simulated in terms of exponential displacement correlation functions. About 90% of the disorder can be accounted for by internal movements correlated with a decay distance of about 6A; the remaining 10% corresponds to intermolecular movements that decay in a distance the order of size of the protein molecule. The results demonstrate that protein crystals fit into neither the Einstein nor the Debye paradigms for thermally fluctuating crystalline solids. Unlike the Einstein model, there are correlations in the atomic displacements, but these correlations decay more steeply with distance than predicted by the Debye-Waller model for an elastic solid. The observed displacement correlations are liquid -like in the sense that they decay exponentially with the distance between atoms, just as positional correlations in a liquid. This liquid-like disorder is similar to the disorder observed in 2-D crystals of polystyrene latex spheres, and similar systems where repulsive interactions dominate; hence, these colloidal crystals appear to provide a better analogy for the dynamics of protein crystals than perfectly elastic lattices.

Transparent glass–ceramics with (Eu{sup 3+},Yb{sup 3+}):YNbO{sub 4} nanocrystals: Crystallization, structure, optical spectroscopy and cooperative upconversion

Energy Technology Data Exchange (ETDEWEB)

Loiko, P.A. [Center for Optical Materials and Technologies (COMT), Belarusian National Technical University, 65/17 Nezavisimosti Ave., Minsk 220013 (Belarus); Dymshits, O.S., E-mail: vodym@goi.ru [NITIOM Vavilov State Optical Institute, 36/1 Babushkin St, Saint-Petersburg 192171 (Russian Federation); Alekseeva, I.P.; Zhilin, A.A.; Tsenter, M.Ya. [NITIOM Vavilov State Optical Institute, 36/1 Babushkin St, Saint-Petersburg 192171 (Russian Federation); Vilejshikova, E.V. [Center for Optical Materials and Technologies (COMT), Belarusian National Technical University, 65/17 Nezavisimosti Ave., Minsk 220013 (Belarus); Bogdanov, K.V. [National Research University of Information Technologies, Mechanics and Optics, Kronverkskiy pr., 49, 197101 Saint-Petersburg (Russian Federation); Mateos, X. [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA), Universitat Rovira i Virgili (URV), Campus Sescelades, C/Marcellí Domingo, s/n, Tarragona E-43007 (Spain); Yumashev, K.V. [Center for Optical Materials and Technologies (COMT), Belarusian National Technical University, 65/17 Nezavisimosti Ave., Minsk 220013 (Belarus)

2016-11-15

In the present work, we report on a comprehensive study of crystallization, structure and optical spectroscopy of transparent glass–ceramics with (Eu{sup 3+},Yb{sup 3+}):YNbO{sub 4} nanocrystals synthesized by secondary heat-treatments of glass of the Li{sub 2}O–Al{sub 2}O{sub 3}–SiO{sub 2} system, for the first time, to the best of our knowledge. Heat treatments result in volume crystallization of RENbO{sub 4} with the sizes of 4–15 nm. Crystals of rare-earth niobates with disordered fluorite structure (T′) appear during heat-treatment at 720–740 °C for 6 h, crystals with tetragonal structure (T) appear at higher temperatures or longer durations of heat-treatment, and in samples heat-treated at 1000 °C, the monoclinic form (M) is detected additionally. Rare-earth niobates act as nucleating agents for bulk crystallization of β-quartz solid solutions, the main crystalline phase of the glass–ceramics, which ensures their good thermo-mechanical properties. Optical spectroscopy confirms entering of both Eu{sup 3+} and Yb{sup 3+} ions into the RENbO{sub 4} nanophase and their specroscopic properties variation according to the T′→T→M phase transformations. Under UV excitation, glass–ceramics heat-treated at 900 °C provide intense red emission with the color coordinates x=0.665, y=0.335 (CIE 1931). In the sample, heat-treated at 1000 °C, a partial reduction of Eu{sup 3+} to Eu{sup 2+} is observed which allows for tuning the color properties of emission. When excited in the near-IR by an InGaAs diode, the initial glass and glass–ceramics show red cooperative upconversion due to the 2Yb{sup 3+}→Eu{sup 3+} energy transfer. The efficiency of the latter is ~10%. The developed materials due to the good emission and thermo-mechanical properties are promising for the development of color-tunable red phosphors.

Kinetics of Crystallization in Polydisperse Emulsions.

Science.gov (United States)

Kashchiev; Kaneko; Sato

1998-12-01

The kinetics of isothermal crystallization of the droplets in polydisperse emulsions are analyzed under the condition that each emulsion droplet gives birth to one nucleus only. Expressions are derived for the time dependences of the number of crystallized droplets and the fraction of crystallized droplet volume in the cases of either volume or surface nucleation of the crystals in the droplets. The time for half-crystallization is determined as a function of the emulsion polydispersity, and it is found that the more polydisperse the emulsion, the shorter this time in comparison with that for the corresponding monodisperse emulsion. Formulae are also obtained for the change of the velocity Kv of propagation of ultrasound through polydisperse emulsions during the time t of isothermal crystallization of the droplets in them. Good agreement is found between theory and experiment in an analysis of available Kv(t) data for crystallization in polydisperse palm oil-in-water and n-hexadecane-in-water emulsions. The results obtained are directly applicable to devitrification and polymorphic transformation of disperse solid phases. Copyright 1998 Academic Press.

Transient Plasma Photonic Crystals for High-Power Lasers.

Science.gov (United States)

Lehmann, G; Spatschek, K H

2016-06-03

A new type of transient photonic crystals for high-power lasers is presented. The crystal is produced by counterpropagating laser beams in plasma. Trapped electrons and electrically forced ions generate a strong density grating. The lifetime of the transient photonic crystal is determined by the ballistic motion of ions. The robustness of the photonic crystal allows one to manipulate high-intensity laser pulses. The scheme of the crystal is analyzed here by 1D Vlasov simulations. Reflection or transmission of high-power laser pulses are predicted by particle-in-cell simulations. It is shown that a transient plasma photonic crystal may act as a tunable mirror for intense laser pulses. Generalizations to 2D and 3D configurations are possible.

Motion of channeling particles in a bent crystal

International Nuclear Information System (INIS)

Avakian, A.R.; Harutyunian, A.S.; Hovanessian, A.G.; Shahinian, S.M.; Yang, C.

1990-01-01

The motion of high-energy charged particles in a bent crystal is investigated in the approximation of the model of continuous potential of crystallographic planes and with account of incoherent scattering on the atoms of media. Angular distribution of charged particle beams is investigated at the exit of the bent region of the crystal in dependence with the maximum deflection angle and energy of particles. The dependence of the fraction of channeling particles on crystal thickness, crystal curvature and particle energy is found in a simple model approximation. The influence of crystal curvature on incoherent scattering of particles in the crystal is analyzed. The concept of an optimal thickness for the maximum number of particles deflected at a given angle is considered. 8 refs.; 8 figs

Growth and Characterization of Tetraphenylphosphonium Bromide Crystal

Directory of Open Access Journals (Sweden)

Guangqiang Wang

2017-05-01

Full Text Available Multiple-phenyl phosphorous compounds are a group of chemical materials that have been used as reactants, pharmaceutical intermediates, extractants, and catalysts in organic synthetic reactions. However, the crystal growth of bulk crystals of multiple-phenyl phosphorous compounds, which may expand their applications in photonics technology, have been largely overlooked. In this article, the crystal growth of tetraphenylphosphonium bromide (TPPB has been studied in organic solvents and water. The crystal structures and crystallization features are analyzed by X-ray diffraction data. By a slow temperature-lowering method, a single-crystal of TPPB (2H2O with the size of 27 × 20 × 20 mm3 has been obtained in water. The basic thermal and optical properties were characterized. We find that the TPPB (2H2O crystal shows excellent transparent property in the near-IR region. Large Raman shifts and strong Raman scattering intensity indicate that TPPB is a potential candidate in Raman-scattering-based nonlinearity applications.

Analyzing and Driving Cluster Formation in Atomistic Simulations.

Science.gov (United States)

Tribello, Gareth A; Giberti, Federico; Sosso, Gabriele C; Salvalaglio, Matteo; Parrinello, Michele

2017-03-14

In this paper a set of computational tools for identifying the phases contained in a system composed of atoms or molecules is introduced. The method is rooted in graph theory and combines atom centered symmetry functions, adjacency matrices, and clustering algorithms to identify regions of space where the properties of the system constituents can be considered uniform. We show how this method can be used to define collective variables and how these collective variables can be used to enhance the sampling of nucleation events. We then show how this method can be used to analyze simulations of crystal nucleation and growth by using it to analyze simulations of the nucleation of the molecular crystal urea and simulations of nucleation in a semiconducting alloy. The semiconducting alloy example we discuss is particular challenging as multiple nucleation centers are formed. We show, however, that our algorithm is able to detect the grain boundaries in the resulting polycrystal.

Experimental investigation and crystal-field modeling of Er{sup 3+} energy levels in GSGG crystal

Energy Technology Data Exchange (ETDEWEB)

Gao, J.Y., E-mail: jygao1985@sina.com [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031 (China); Sun, D.L.; Zhang, Q.L. [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031 (China); Wang, X.F. [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100049 (China); Liu, W.P.; Luo, J.Q.; Sun, G.H.; Yin, S.T. [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031 (China)

2016-06-25

The Er{sup 3+}-doped Gd{sub 3}Sc{sub 2}Ga{sub 3}O{sub 12} (Er{sup 3+}:GSGG) single crystal, a excellent medium of the mid-infrared and anti-radiation solid state laser pumped by laser diode, was grown by Czochralski method successfully. The absorption spectra were measured and analyzed in a wider spectral wavelength range of 350–1700 nm at different temperatures of 7.6, 77, 200 and 300 K. The free-ions and crystal-field parameters were fitted to the experimental energy levels with the root mean square deviation of 9.86 cm{sup −1}. According to the crystal-field calculations, 124 degenerate energy levels of Er{sup 3+} in GSGG host crystals were assigned. The fitting results of free-ions and crystal-field parameters were compared with those already reported of Er{sup 3+}:YSGG. The results indicated that the free-ions parameters for Er{sup 3+} in GSGG host are similar to those in YSGG host crystals, and the crystal-field interaction of GSGG is weaker than that of YSGG, which may result in the better laser characterization of Er{sup 3+}:GSGG crystal. - Highlights: • The efficient diode-end-pumped laser crystal Er:GSGG has been grown successfully. • The absorption spectra of Er:GSGG have been measured in range of 350–1700 nm. • The fitting result is very well for the root mean square deviation is 9.86 cm{sup −1}. • The 124 levels of Er:GSGG have been assigned from the crystal-field calculations.

Aluminum surface modification by a non-mass-analyzed nitrogen ion beam

Science.gov (United States)

Ohira, Shigeo; Iwaki, Masaya

Non-mass-analyzed nitrogen ion implantation into polycrystal and single crystal aluminum sheets has been carried out at an accelerating voltage of 90 kV and a dose of 1 × 10 18 N ions/cm 2 using a Zymet implanter model Z-100. The pressure during implantation rose to 10 -3 Pa due to the influence of N gas feeding into the ion source. The characteristics of the surface layers were investigated by means of Auger electron spectroscopy (AES), X-ray diffraction (XRD), transmission electron diffraction (TED), and microscopy (TEM). The AES depth profiling shows a rectangular-like distribution of N atoms and little migration of O atoms near the surface. The high dose N-implantation forms c-axis oriented aluminum nitride (AIN) crystallines, and especially irradiation of Al single crystals with N ions leads to the formation of a hcp AlN single crystal. It is concluded that the high dose N-implantation in Al can result in the formation of AlN at room temperature without any thermal annealing. Furthermore, non-mass-analyzed N-implantation at a pressure of 10 -3 Pa of the nitrogen atmosphere causes the formation of pure AlN single crystals in the Al surface layer and consequently it can be practically used for AlN production.

Chemical ordering in substituted fluorite oxides: A computational investigation of Ho2 Zr2 O7 and RE2 Th2 O7 (RE=Ho, Y, Gd, Nd, La)

OpenAIRE

Solomon, JM; Shamblin, J; Lang, M; Navrotsky, A; Asta, M

2016-01-01

© 2016 The Author(s). Fluorite-structured oxides find widespread use for applications spanning nuclear energy and waste containment, energy conversion, and sensing. In such applications the host tetravalent cation is often partially substituted by trivalent cations, with an associated formation of charge-compensating oxygen vacancies. The stability and properties of such materials are known to be influenced strongly by chemical ordering of the cations and vacancies, and the nature of such ord...

X-ray chemical analyzer for field applications

International Nuclear Information System (INIS)

Gamba, O.O.M.

1977-01-01

A self-supporting portable field multichannel x-ray chemical analyzer system is claimed. It comprises a lightweight, flexibly connected, remotely locatable, radioisotope-excited sensing probe utilizing a cryogenically-cooled solid state semi-conductor crystal detector for fast in situ non-destructive, qualitative and quantitative analysis of elements in solid, powder, liquid or slurried form, utilizing an x-ray energy dispersive spectrometry technique

Numerical Methods for the Design and Analysis of Photonic Crystal Fibres

DEFF Research Database (Denmark)

Roberts, John

2008-01-01

The numerical methods available for calculating the electromagnetic mode properties of photonic crystal fibres are reviewed. The preferred schemes for analyzing TIR guiding and band gap guiding fibres are contrasted.......The numerical methods available for calculating the electromagnetic mode properties of photonic crystal fibres are reviewed. The preferred schemes for analyzing TIR guiding and band gap guiding fibres are contrasted....

Nonlinear MIMO Control of a Continuous Cooling Crystallizer

Directory of Open Access Journals (Sweden)

Pedro Alberto Quintana-Hernández

2012-01-01

Full Text Available In this work, a feedback control algorithm was developed based on geometric control theory. A nonisothermal seeded continuous crystallizer model was used to test the algorithm. The control objectives were the stabilization of the third moment of the crystal size distribution (μ3 and the crystallizer temperature (T; the manipulated variables were the stirring rate and the coolant flow rate. The nonlinear control (NLC was tested at operating conditions established within the metastable zone. Step changes of magnitudes ±0.0015 and ±0.5°C were introduced into the set point values of the third moment and crystallizer temperature, respectively. In addition, a step change of ±1°C was introduced as a disturbance in the feeding temperature. Closed-loop stability was analyzed by calculating the eigenvalues of the internal dynamics. The system presented a stable dynamic behavior when the operation conditions maintain the crystallizer concentration within the metastable zone. Closed-loop simulations with the NLC were compared with simulations that used a classic PID controller. The PID controllers were tuned by minimizing the integral of the absolute value of the error (IAE criterion. The results showed that the NLC provided a suitable option for continuous crystallization control. For all analyzed cases, the IAEs obtained with NLC were smaller than those obtained with the PID controller.

Diffusion pathway of mobile ions and crystal structure of ionic and mixed conductors. A brief review

International Nuclear Information System (INIS)

Yashima, Masatomo

2009-01-01

A brief review on the field of Solid State Ionics, including the diffusion pathway of mobile ions, crystal structure and materials, is presented. In the fluorite-structured ionic conductors such as ceria solid solution Ce 0.93 Y 0.07 O 1.96 , bismuth oxide solid solution δ-Bi 1.4 Yb 0.6 O 3 and copper iodide CuI, a similar curved diffusion pathway along the directions is observed. In the ionic and mixed conductors with the cubic ABO 3 perovskite-type structure such as lanthanum gallate and lanthanum cobaltite solid solutions, the mobile ions diffuse along a curved line keeping the interatomic distance between the B cation and O 2- anion to some degree. The structure and diffusion path of double-perovskite-type La 0.64 Ti 0.92 Nb 0.08 O 2.99 , K 2 NiF 4 -type (Pr 0.9 La 0.1 ) 2 (Ni 0.74 Cu 0.21 Ga 0.05 )O 4+δ , and apatite-type La 9.69 (Si 5.70 Mg 0.30 )O 26.24 are described. The diffusion paths of Li + ions in La 0.62 Li 0.16 TiO 3 and Li 0.6 FePO 4 are two- and one-dimensional, respectively. (author)

Thin film ionic conductors based on cerium oxide

International Nuclear Information System (INIS)

Haridoss, P.; Hellstrom, E.; Garzon, F.H.; Brown, D.R.; Hawley, M.

1994-01-01

Fluorite and perovskite structure cerium oxide based ceramics are a class of materials that may exhibit good oxygen ion and/or protonic conductivity. The authors have successfully deposited thin films of these materials on a variety of substrates. Interesting orientation relationships were noticed between cerium oxide films and strontium titanate bi-crystal substrates. Near lattice site coincidence theory has been used to study these relationships

The Structure and Magnetic Properties of Pr 3MO7 with M = Nb, Ta, and Sb

Science.gov (United States)

Vente, J. F.; Helmholdt, R. B.; IJdo, D. J. W.

1994-01-01

The crystal structure of the fluorite-related praseodymium compounds with the composition Pr 3MO7, M = Nb, Ta, and Sb, have been determined using Rietveld refinement from X-ray and neutron powder diffraction data at 293 and 4 K. The structure described is orthorhombic with space group Cmcm (No. 63). It is a superstructure of the cubic fluorite structure with unit cell parameters a orth ≈ 2a c, b orth ≈ c orth ≈ a c2, as in La 3NbO 7. This structure consists of chains of corner linked MO 6 octahedra parallel with the c-axis. The magnetic susceptibility was measured between 4 and 300 K. The compounds obey the Curie-Weiss law including a Van Vleck temperature independent term. Pr 3SbO 7 shows a small deviation from this law below 25 K.

A neutron diffraction study of the superionic transition in (Ca sub 1 sub - sub x Y sub x)F sub 2 sub + sub x with x=0.06

CERN Document Server

Hofmann, M; Wilson, C C; McIntyre, G J

1997-01-01

We have investigated the high-temperature superionic transition of the anion-excess fluorite (Ca sub 1 sub - sub x Y sub x)F sub 2 sub + sub x with x=0.06 using both monochromatic and time-of-flight Laue single-crystal neutron diffraction. The measured Bragg intensities indicate that the cuboctahedral defect clusters found at ambient temperature start to break up into smaller fragments even below the superionic transition temperature, T sub c approx 1200 K. Information concerning the local defect configuration at T = 1173 K has been provided by modelling the measured distribution of the coherent elastic diffuse scattering within the (11-bar0) plane of reciprocal space. The high-temperature defects are of the 'Willis' type and strongly resemble the short-lived Frenkel clusters found in the pure fluorites such as CaF sub 2 above T sub c. (author)

An insight into the local O{sub h} {yields}T{sub d} instability in BaF{sub 2}:Mn{sup 2+}

Energy Technology Data Exchange (ETDEWEB)

Garcia-Fernandez, P; Aramburu, J A; Barriuso, M T; Moreno, M, E-mail: morenom@unican.e

2010-11-01

While most complexes in fluorite-type lattices (CaF{sub 2}, SrF{sub 2}, CdF{sub 2}) containing Mn{sup 2+} impurities remain cubic at all temperatures, electron paramagnetic resonance (EPR) measurements have shown that the one in BaF{sub 2} is tetrahedral below 50K. This surprising behaviour is intrinsic to the centre and not associated to any close defect or pure lattice phase-transition. Through the use of density functional (DFT) calculations we show that the distortion is linked to the unexpected low force constant along the tetrahedral distortion mode with a{sub 2u} symmetry in these complexes and the large metal-ligand distance existing in BaF{sub 2}:Mn{sup 2+}. Ultimately, these facts reflect that, for substitutional impurities in fluorite-type crystals, the ligand-ligand interaction is dominant over the metal-ligand one.

Formation and electrical transport properties of pentacene nanorod crystal

International Nuclear Information System (INIS)

Akai-Kasaya, M; Ohmori, C; Kawanishi, T; Nashiki, M; Saito, A; Kuwahara, Y; Aono, M

2010-01-01

The monophasic formation of an uncharted pentacene crystal, the pentacene nanorod, has been investigated. The restricted formation of the pentacene nanorod on a bare mica surface reveals a peculiar surface catalytic crystal growth mode of the pentacene. We demonstrated the charge transport measurements through a single pentacene nanorod and analyzed the data using a periodic hopping conduction model. The results revealed that the pentacene nanorod has a periodic conductive node within their one-dimensional crystal.

Formation and electrical transport properties of pentacene nanorod crystal.

Science.gov (United States)

Akai-Kasaya, M; Ohmori, C; Kawanishi, T; Nashiki, M; Saito, A; Aono, M; Kuwahara, Y

2010-09-10

The monophasic formation of an uncharted pentacene crystal, the pentacene nanorod, has been investigated. The restricted formation of the pentacene nanorod on a bare mica surface reveals a peculiar surface catalytic crystal growth mode of the pentacene. We demonstrated the charge transport measurements through a single pentacene nanorod and analyzed the data using a periodic hopping conduction model. The results revealed that the pentacene nanorod has a periodic conductive node within their one-dimensional crystal.

Damping of elastic waves in crystals with impurities

International Nuclear Information System (INIS)

Lemanov, V.V.; Petrov, A.V.; Akhmedzhanov, F.R.; Nasyrov, A.N.

1979-01-01

Elastic wave damping and thermal conductivity of NaCl-NaBr and Y 3 AL 5 O 12 crystals with Er impurity has been examined. The experimental results on a decrease in elastic wave damping in such crystals are analyzed in the framework of the Ahiezer damping theory. The measurements were made in the frequency range of 300-1500 MHz in propagation of longitudinal and transverse elastic waves along the [100] and [110] directions. At 10 % concentration of erbium impurity the transverse wave damping decreases by a factor of three, and for longitudinal waves by a factor of two in NaBr:Cl crystals, and by approximately 10 and 30 % for NaBr:Cl and Y 3 Al 5 O 12 :Er crystals, respectively. In Y 3 Al 5 O 12 crystals, unlike NaCl-NaBr crystals, no noticeable anisotropy of damping is observed. The transVerse wave damping in impurity crystals has been shown to increase significantly with decreasing temperature and increasing the impurity concentration

Crystal growth, optical properties, and continuous-wave laser operation of Nd3+-doped Lu2SiO5 crystal

International Nuclear Information System (INIS)

Li, D Z; Xu, X D; Zhou, D H; Xia, C T; Wu, F; Xu, J; Cong, Z H; Zhang, J; Tang, D Y

2011-01-01

High quality Nd 3+ -doped Lu 2 SiO 5 (Nd:LSO) crystal has been grown by the Czochralski technique. The cell parameters were analyzed with X-ray diffraction (XRD). Room temperature absorption and fluorescence spectra and fluorescence lifetime of the Nd:LSO crystal were measured and analyzed. The Judd-Ofelt intensity parameters Ω 2,4,6 were obtained to be 2.59, 4.90, and 5.96×10 -20 cm 2 , respectively. The absorption and emission cross sections and the branching ratios were calculated. The peak emission cross section is 5.8 and 6.6×10 -20 cm 2 at 1075 and 1079 nm, respectively, with full width at half maximum (FWHM) of 2.8 and 5.1 nm in turn. Pumped by a laser diode, a maximum 2.54 W continuous-wave laser output has been obtained with a slope efficiency of 32%. All the results show that this crystal is a promising laser material

Crystal growth, optical properties, and continuous-wave laser operation of Nd3+-doped Lu2SiO5 crystal

Science.gov (United States)

Li, D. Z.; Xu, X. D.; Zhou, D. H.; Xia, C. T.; Wu, F.; Xu, J.; Cong, Z. H.; Zhang, J.; Tang, D. Y.

2011-01-01

High quality Nd3+-doped Lu2SiO5 (Nd:LSO) crystal has been grown by the Czochralski technique. The cell parameters were analyzed with X-ray diffraction (XRD). Room temperature absorption and fluorescence spectra and fluorescence lifetime of the Nd:LSO crystal were measured and analyzed. The Judd-Ofelt intensity parameters Ω2,4,6 were obtained to be 2.59, 4.90, and 5.96×10-20 cm2, respectively. The absorption and emission cross sections and the branching ratios were calculated. The peak emission cross section is 5.8 and 6.6×10-20 cm2 at 1075 and 1079 nm, respectively, with full width at half maximum (FWHM) of 2.8 and 5.1 nm in turn. Pumped by a laser diode, a maximum 2.54 W continuous-wave laser output has been obtained with a slope efficiency of 32%. All the results show that this crystal is a promising laser material.

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.

A fine adjustment mechanism of the second crystal in a double-crystal monochromator with a 3-PS parallel manipulator

International Nuclear Information System (INIS)

Cao Chongzhen; Gao, X.; Ma, P.; Yu, H.; Wang, F.; Huang, Y.; Liu, P.

2005-01-01

A novel fine adjustment mechanism of the second crystal in a double-crystal monochromator is put forward, which is based on a 3-PS parallel manipulator and the magnetic force. Not only is the principle of fine adjusting the pitch angle and the roll angle analyzed, but also optimization of the structure parameters of the permanent magnet, a key part of the fine adjustment mechanism. The fine adjustment mechanism with the 3-PS parallel manipulator has been applied successfully in the double-crystal monochromator of 4W1B beam line in the Beijing Synchrotron Radiation Facility (BSRF)

Hard X-ray diffraction enhanced imaging only using two crystals

Institute of Scientific and Technical Information of China (English)

LI Gang; WANG Nan; WU Ziyu

2004-01-01

Different configurations for the monochromator crystals and the analyzer crystals have been used in hard X-ray diffraction enhanced imaging (DEI) methods to overcome the complex task to adjust each of them to the ideal position. Here we present a very compact DEI configuration, and preliminary results of experiments performed at the Beijing Synchrotron Radiation Facility (BSRF) using only two crystals: the first one acting as monochromator and the second one as analyzer in the Bragg geometry. Refraction contrast images characterized by high contrast and spatial resolution are obtained and compared with absorption images. Differences among these images will be outlined and discussed emphasizing the potential capabilities of this very simple layout that guarantees a high transmission efficiency.

Mode coupling analysis of coherent quasi-elastic neutron scattering from fluorite-type materials approaching the superionic transition

International Nuclear Information System (INIS)

Chaturvedi, D.K.; Tosi, M.P.

1987-08-01

Neutron scattering experiments on SrCl 2 , CaF 2 and PbF 2 have shown that intensity and width of the coherent diffuse quasi-elastic spectrum increase rapidly with temperature into the fast-ion conducting phase, the main feature in the integrated quasi-elastic intensity being a peak just beyond the (200) point along the (100) direction in scattering wave vector space. The Zwanzig-Mori memory function formalism is used in this work to analyze the quasi-elastic scattering cross section from charge density fluctuations in terms of anharmonic couplings between the vibrational modes of the crystal. The two- and three-mode channels are examined for compatibility with the quasi-elastic neutron scattering evidence, on the basis of (i) energy and momentum conservation and van Hove singularity arguments and (ii) measured phonon dispersion curves along the main symmetry directions in SrCl 2 , CaF 2 , SrF 2 and BaF 2 . The analysis identifies a specific microscopic role for the Raman-active optic branches. The eigenvectors of the relevant Raman-active and partner modes in the three-mode channel describe relative displacements of the two halogens in the unit cell superposed on relative displacements of the halogen and alkaline earth components. This microscopic picture is thus consistent with the superionic transition being associated with the onset of dynamic disorder in the anionic component of the crystal. (author). 13 refs, 2 tabs

Fabrication of radiation detector using PbI{sub 2} crystal

Energy Technology Data Exchange (ETDEWEB)

Shoji, T; Sakamoto, K; Ohba, K; Suehiro, T; Hiratate, Y [Tohoku Inst. of Tech., Sendai (Japan)

1996-07-01

In this paper, we will discuss the PbI{sub 2} radiation detector fabricated from a crystal grown by the zone melting method and by the vapor phase method, together with characteristics of the crystal obtained by a XPS analyzer. (J.P.N.)

Analysis of rocking curve measurements of LiF flight crystals for the objective crystal spectrometer on SPECTRUM-X-GAMMA

DEFF Research Database (Denmark)

Halm, I.; Wiebicke, H.-J.; Geppert, U.R.M.E.

1993-01-01

The Objective Crystal Spectrometer on the SPECTRUM-X-GAMMA satellite will use three types of natural crystals LiF(220), Si(111), RAP(001), and a multilayer structure providing high-resolution X- ray spectroscopy of Fe, S, O, and C line regions of bright cosmic X-ray sources. 330 - 360 LiF(220......) crystals of dimensions approximately 23 × 63 mm2 are required to cover one side of a large (1000 × 600 mm2) panel, which is to be mounted in front of one of two high throughput X- ray telescopes. Rocking curves of 441 LiF(220) crystals measured by using an expanded Cu - Kα2 beam were analyzed to select...... the main parameters of the rocking curve averaged over all crystals can be improved at least by a factor of 1.6 both in full width half maximum and peak reflectivity....

Crystal and molecular simulation of high-performance polymers.

Science.gov (United States)

Colquhoun, H M; Williams, D J

2000-03-01

Single-crystal X-ray analyses of oligomeric models for high-performance aromatic polymers, interfaced to computer-based molecular modeling and diffraction simulation, have enabled the determination of a range of previously unknown polymer crystal structures from X-ray powder data. Materials which have been successfully analyzed using this approach include aromatic polyesters, polyetherketones, polythioetherketones, polyphenylenes, and polycarboranes. Pure macrocyclic homologues of noncrystalline polyethersulfones afford high-quality single crystals-even at very large ring sizes-and have provided the first examples of a "protein crystallographic" approach to the structures of conventionally amorphous synthetic polymers.

CRYSTALLIZATION KINETICS OF GLASS-CERAMICS BY DIFFERENTIAL THERMAL ANALYSIS

Directory of Open Access Journals (Sweden)

A. NOZAD

2011-06-01

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

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.

Mathematical model to analyze the dissolution behavior of metastable crystals or amorphous drug accompanied with a solid-liquid interface reaction.

Science.gov (United States)

Hirai, Daiki; Iwao, Yasunori; Kimura, Shin-Ichiro; Noguchi, Shuji; Itai, Shigeru

2017-04-30

Metastable crystals and the amorphous state of poorly water-soluble drugs in solid dispersions (SDs), are subject to a solid-liquid interface reaction upon exposure to a solvent. The dissolution behavior during the solid-liquid interface reaction often shows that the concentration of drugs is supersaturated, with a high initial drug concentration compared with the solubility of stable crystals but finally approaching the latter solubility with time. However, a method for measuring the precipitation rate of stable crystals and/or the potential solubility of metastable crystals or amorphous drugs has not been established. In this study, a novel mathematical model that can represent the dissolution behavior of the solid-liquid interface reaction for metastable crystals or amorphous drug was developed and its validity was evaluated. The theory for this model was based on the Noyes-Whitney equation and assumes that the precipitation of stable crystals at the solid-liquid interface occurs through a first-order reaction. Moreover, two models were developed, one assuming that the surface area of the drug remains constant because of the presence of excess drug in the bulk and the other that the surface area changes in time-dependency because of agglomeration of the drug. SDs of Ibuprofen (IB)/polyvinylpyrrolidone (PVP) were prepared and their dissolution behaviors under non-sink conditions were fitted by the models to evaluate improvements in solubility. The model assuming time-dependent surface area showed good agreement with experimental values. Furthermore, by applying the model to the dissolution profile, parameters such as the precipitation rate and the potential solubility of the amorphous drug were successfully calculated. In addition, it was shown that the improvement in solubility with supersaturation was able to be evaluated quantitatively using this model. Therefore, this mathematical model would be a useful tool to quantitatively determine the supersaturation

Properties of single crystal beta''-aluminas

International Nuclear Information System (INIS)

Bates, J.B.; Brown, G.M.; Kaneda, T.; Brundage, W.E.; Wang, J.C.; Engstrom, H.

1979-01-01

Large single crystals of sodium beta''-alumina were grown by slow evaporation of Na 2 O at 1690 0 C from a mixture of Na 2 CO 3 , MgO, and Al 2 O 3 . Polarized Raman measurements were made on the Na β'' single crystals and on single crystals of Li, K, Rb, and Ag β'' prepared by ion exchange of Na β''. The low frequency Raman spectra of Na, K, Rb, and Ag β'' contained four or more bands due to vibrations of the mobile cations. These results were analyzed by assuming the spectra to be due to the normal modes of a defect cluster consisting of a cation vacancy surrounded by three cations. From model calculations, the Raman band of Na β'' at 33 cm -1 is assigned to the attempt mode for diffusion of Na + ions. The structure of a Ag β'' single crystal was investigated by neutron diffraction, and 20% of the Ag + ion sites were found to be vacant

Lasing in liquid crystal thin films

Energy Technology Data Exchange (ETDEWEB)

Palto, S. P. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)], E-mail: palto@online.ru

2006-09-15

A lasing condition is formulated in matrix form for optically anisotropic thin films. Lasing behavior of liquid-crystal slabs is analyzed. In particular, it is shown that if the spatial extent of a liquid crystal slab is much larger than its thickness, then laser emission is feasible not only along the normal to the slab, but also in the entire angular sector. The generated laser light can be observed experimentally as a spot or as concentric rings on a screen. The lowest lasing threshold corresponds to in-plane sliding modes leaking into the substrate. The feedback required for lasing is provided by reflection from the interfaces, rather than edges, of the liquid-crystal slab operating as a planar Fabry-Perot cavity. For cholesteric liquid crystals, it is shown that energy loss to the sliding modes leaking into the substrates and escaping through their edges is a key factor that limits the efficiency of band-edge emission along the normal to the slab.

Tunable multichannel filter in photonic crystal heterostructure containing permeability-negative materials

International Nuclear Information System (INIS)

Hu Xiaoyong; Liu Zheng; Gong Qihuang

2008-01-01

A tunable multichannel filter is demonstrated theoretically based on a one-dimensional photonic crystal heterostructure containing permeability-negative material. The filtering properties of the photonic crystal filter, including the channel number and frequency, can be tuned by adjusting the structure parameters or by a pump laser. The angular response of the photonic crystal filter and the influences of the losses on the filtering properties are also analyzed

Tunable multichannel filter in photonic crystal heterostructure containing permeability-negative materials

Energy Technology Data Exchange (ETDEWEB)

Hu Xiaoyong [State Key Laboratory for Mesoscopic Physics, Department of Physics, Peking University, Beijing 100871 (China)], E-mail: xiaoyonghu@pku.edu.cn; Liu Zheng [State Key Laboratory for Mesoscopic Physics, Department of Physics, Peking University, Beijing 100871 (China); Gong Qihuang [State Key Laboratory for Mesoscopic Physics, Department of Physics, Peking University, Beijing 100871 (China)], E-mail: qhgong@pku.edu.cn

2008-01-14

A tunable multichannel filter is demonstrated theoretically based on a one-dimensional photonic crystal heterostructure containing permeability-negative material. The filtering properties of the photonic crystal filter, including the channel number and frequency, can be tuned by adjusting the structure parameters or by a pump laser. The angular response of the photonic crystal filter and the influences of the losses on the filtering properties are also analyzed.

Dual-Readout Calorimetry with Lead Tungstate Crystals

OpenAIRE

Akchurin, N.

2007-01-01

Results are presented of beam tests in which a small electromagnetic calorimeter consisting of lead tungstate crystals was exposed to 50 GeV electrons and pions. This calorimeter was backed up by the DREAM Dual-Readout calorimeter, which measures the scintillation and \\v{C}erenkov light produced in the shower development, using two different media. The signals from the crystal calorimeter were analyzed in great detail in an attempt to determine the contributions from these two types of light ...

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.

Liquid nitrogen dewar for protein crystal growth

Science.gov (United States)

2001-01-01

Gaseous Nitrogen Dewar apparatus developed by Dr. Alex McPherson of the University of California, Irvine for use aboard Mir and the International Space Station allows large quantities of protein samples to be crystallized in orbit. The specimens are contained either in plastic tubing (heat-sealed at each end). Biological samples are prepared with a precipitating agent in either a batch or liquid-liquid diffusion configuration. The samples are then flash-frozen in liquid nitrogen before crystallization can start. On orbit, the Dewar is placed in a quiet area of the station and the nitrogen slowly boils off (it is taken up by the environmental control system), allowing the proteins to thaw to begin crystallization. The Dewar is returned to Earth after one to four months on orbit, depending on Shuttle flight opportunities. The tubes then are analyzed for crystal presence and quality

Versatile Collimating Crystal Stage for a Bonse-Hart USAXS Instrument

International Nuclear Information System (INIS)

Ilavsky, J.; Shu, D.; Jemian, P. R.; Long, G. G.

2007-01-01

An advanced ultra-small-angle X-ray scattering (USAXS) instrument, using the Bonse-Hart design and installed at APS, is a robust and reliable instrument, providing a scattering vector (q) range of nearly 4 decades (0.00015 to 1 Aa-1), an intensity dynamic range of up to 9 decades, standard-less absolute intensity calibration, and USAXS imaging capabilities. This type of instrument typically uses channel-cut crystals in both the collimating (before sample) and analyzing (after sample) stages. The optical surfaces of these crystals are finished by etching processes, which leave an orange-peel surface texture, which would compromise the USAXS imaging quality. Therefore optics with highly polished surfaces using separated crystals in both collimating and analyzing stages were developed. A novel design of the optics and mechanical stage uses a fixed gap between the two separated collimating crystals in which a triangular section of the first crystal is removed, allowing for a variable number (1, 2, 4, 6, or 8) of crystal reflections for X-ray energies between 7 and 19 keV. The number of reflections is selected by lateral translation of the collimating crystal pair. Rotational alignment of the second crystal in the pair by an artificial channel-cut crystal mechanism, implemented with a novel high-stiffness weak link actuated by both a picomotor and a piezo-electric transducer, provides the capability to align or adjust an assembly of crystals to achieve the same performance as a single channel-cut crystal with integral weak link. The arrangement of both crystals is held on a removable base that can be remounted with precision within the Si(111) rocking curve on a three-point kinematic mount. Additional tilt adjustments are also provided for initial alignment. This monochromator has proven to be highly robust with respect to motions and vibrations, as well as flexible with respect to selection of number of reflections, and its performance directly resulted in the highly

"Daisy-like" crystals: A rare and unknown type of urinary crystal.

Science.gov (United States)

Fogazzi, G B; Anderlini, R; Canovi, S; Covarelli, C; Gras, J; Kučera, J; Proietti, A; Rogic, D; Teboul, R; Ferraris Fusarini, C; de Liso, F; Garigali, G; Daudon, M

2017-08-01

Crystals are well known structures of urinary sediment, most of which are identified by the combined knowledge of crystal morphology, birefringence features at polarized light, and urine pH. In this paper, we report on a cohort of subjects whose urine contained a very rare type of crystal, which we first described in 2004 and which, based on its peculiar morphology, we define as "daisy-like crystal" (DLcr). Reports on DLcr were spontaneously sent to our laboratory over a 10.5-year period by different laboratory professionals and by one veterinary clinician who, in their everyday work, had come across DLcr. After the examination of DLcr images submitted, a number of other information were requested and partly obtained. DLcr were found in 9 human beings in 7 different laboratories, located in 4 countries (Italy, Belgium, Croatia, France). DLcr were found mostly in female (8/9), at all ages (3.5 to 93years), mostly in alkaline urine (pH6.0 to 7.5), at variable specific gravity values (1.010 to 1.030), either as isolated particles (2/8) or in association with other crystals (5/8) and/or leucocytes or bacteria (3/8). In addition, DLcr were found in the urine of a 1-year-old dog, examined in a veterinary clinic of Czech Republic. In 3 cases, DLcr were identified by manual microscopy, while in 7 cases by automated urine sediment analyzers. This paper confirms the possible presence in the urine of DLcr. However, further cases are needed to clarify their frequency, clinical meaning, and composition. Copyright © 2017. Published by Elsevier B.V.

Selective catalytic reduction of sulfur dioxide to elemental sulfur. Final report

Energy Technology Data Exchange (ETDEWEB)

Liu, W.; Flytzani-Stephanopoulos, M.; Sarofim, A.F.

1995-06-01

This project has investigated new metal oxide catalysts for the single stage selective reduction of SO{sub 2} to elemental sulfur by a reductant, such as CO. Significant progress in catalyst development has been made during the course of the project. We have found that fluorite oxides, CeO{sub 2} and ZrO{sub 2}, and rare earth zirconates such as Gd{sub 2}Zr{sub 2}O{sub 7} are active and stable catalysts for reduction Of SO{sub 2} by CO. More than 95% sulfur yield was achieved at reaction temperatures about 450{degrees}C or higher with the feed gas of stoichiometric composition. Reaction of SO{sub 2} and CO over these catalysts demonstrated a strong correlation of catalytic activity with the catalyst oxygen mobility. Furthermore, the catalytic activity and resistance to H{sub 2}O and CO{sub 2} poisoning of these catalysts were significantly enhanced by adding small amounts of transition metals, such as Co, Ni, Co, etc. The resulting transition metal-fluorite oxide composite catalyst has superior activity and stability, and shows promise in long use for the development of a greatly simplified single-step sulfur recovery process to treat variable and dilute SO{sub 2} concentration gas streams. Among various active composite catalyst systems the Cu-CeO{sub 2} system has been extensively studied. XRD, XPS, and STEM analyses of the used Cu-CeO{sub 2} catalyst found that the fluorite crystal structure of ceria was stable at the present reaction conditions, small amounts of copper was dispersed and stabilized on the ceria matrix, and excess copper oxide particles formed copper sulfide crystals of little contribution to catalytic activity. A working catalyst consisted of partially sulfated cerium oxide surface and partially sulfided copper clusters. The overall reaction kinetics were approximately represented by a first order equation.

Angular distributions of ions channeled in the Si crystals

International Nuclear Information System (INIS)

Petrovic, S.; Korica, S.; Kokkoris, M.; Neskovic, N.

2002-01-01

In this study we analyze the angular distributions of Ne 10+ ions channeled in the Si crystals. The ion energy is 60 MeV and the crystal thickness is varied from 286 to 3435 nm. This thickness range corresponds to the reduced crystal thickness range from 0.5 to 6, i.e. from the second to the twelfth rainbow cycle. The angular distributions were obtained via the numerical solution of the ion equations of motion and the computer simulation method. The analysis shows that the angular distribution has a periodic behavior. We also analyze the transmission patterns corresponding to the angular distributions. These patterns should be compared to the experimental patterns obtainable by a two-dimensional position sensitive detector. We demonstrate that, when the ion beam divergence is sufficiently large, i.e. much larger than the critical angle for channeling, the channeling star effect occurs in the transmission patterns

Acoustic transparency in two-dimensional sonic crystals

Energy Technology Data Exchange (ETDEWEB)

Sanchez-Dehesa, Jose; Torrent, Daniel [Wave Phenomena Group, Department of Electronic Engineering, Polytechnic University of Valencia, C/ Camino de Vera s/n, E-46022 Valencia (Spain); Cai Liangwu [Department of Mechanical and Nuclear Engineering, Kansas State University, Manhattan, KS 66506 (United States)], E-mail: jsdehesa@upvnet.upv.es

2009-01-15

Acoustic transparency is studied in two-dimensional sonic crystals consisting of hexagonal distributions of cylinders with continuously varying properties. The transparency condition is achieved by selectively closing the acoustic bandgaps, which are governed by the structure factor of the cylindrical scatterers. It is shown here that cylindrical scatterers with the proposed continuously varying properties are physically realizable by using metafluids based on sonic crystals. The feasibility of this proposal is analyzed by a numerical experiment based on multiple scattering theory.

Crystal growth, structural, optical, thermal, mechanical, laser damage threshold and electrical properties of triphenylphosphine oxide 4-nitrophenol (TP4N) single crystals for nonlinear optical applications

Science.gov (United States)

Karuppasamy, P.; Senthil Pandian, Muthu; Ramasamy, P.; Verma, Sunil

2018-05-01

The optically good quality single crystals of triphenylphosphine oxide 4-nitrophenol (TP4N) with maximum dimension of 15 × 10 × 5 mm3 were grown by slow evaporation solution technique (SEST) at room temperature. The cell dimensions of the grown TP4N crystal were confirmed by single crystal X-ray diffraction (SXRD) and the crystalline purity was confirmed and planes were indexed by powder X-ray diffraction (PXRD) analysis. Functional groups of TP4N crystal were confirmed by Fourier transform infrared (FTIR) spectral analysis. The optical transmittance of the grown crystal was determined by the UV-Vis NIR spectral analysis and it has good optical transparency in the entire visible region. The band tail (Urbach) energy of the grown crystal was analyzed and it appears to be minimum, which indicates that the TP4N has good crystallinity. The position of valence band (Ev) and conduction band (Ec) of the TP4N have been determined from the electron affinity energy (EA) and the ionization energy (EI) of its elements and using the optical band gap. The thermal behaviour of the grown crystal was investigated by thermogravimetric and differential thermal analysis (TG-DTA). Vickers microhardness analysis was carried out to identify the mechanical stability of the grown crystal and their indentation size effect (ISE) was explained by the Meyer's law (ML), Hays-Kendall's (HK) approach, proportional specimen resistance (PSR) model, modified PSR model (MPSR), elastic/plastic deformation (EPD) model and indentation induced cracking (IIC) model. Chemical etching study was carried out to find the etch pit density (EPD) of the grown crystal. Laser damage threshold (LDT) value was measured by using Nd:YAG laser (1064 nm). The dielectric permittivity (ε՛) and dielectric loss (tan δ) as a function of frequency was measured. The electronic polarizability (α) of the TP4N crystal was calculated. It is well matched to the value which was calculated from Clausius-Mossotti relation

Synthesis, crystal structures and properties of new quinolinium derivatives

Science.gov (United States)

Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng

2015-11-01

Four phenyl-substituted quinolinium salts with different counter anions, C27H27NO4S, C26H25NO5S, C25H22NO5SCl, and C25H22NO5SBr, were synthesized and their single crystals were successfully grown from methanol solution by slow evaporation. Single crystal X-ray diffraction analyses showed that C27H27NO4S crystal belongs to the noncentrosymmetric orthorhombic space group Pna21, and the other three crystals belong to centrosymmetric monoclinic space group P21/n. Their first order hyperpolarization and macroscopic nonlinearity were analyzed and physical properties were characterized by UV-vis absorption spectroscopy, and differential scanning calorimetric and thermal gravimetric analysis.

Growth and spectroscopic, thermodynamic and nonlinear optical studies of L-threonine phthalate crystal

Science.gov (United States)

Theras, J. Elberin Mary; Kalaivani, D.; Jayaraman, D.; Joseph, V.

2015-10-01

L-threonine phthalate (LTP) single crystal has been grown using a solution growth technique at room temperature. Single crystal X-ray diffraction analysis reveals that LTP crystallizes in monoclinic crystal system with space group C2/c. The optical absorption studies show that the crystal is transparent in the entire visible region with a cut-off wavelength 309 nm. The optical band gap is found to be 4.05 eV. The functional groups of the synthesized compound have been identified by FTIR spectral analysis. The functional groups present in the material were also confirmed by FT-RAMAN spectroscopy. Surface morphology and the presence of various elements were studied by SEM-EDAX analysis. The thermal stability of LTP single crystal has been analyzed by TGA/DTA studies. The thermodynamic parameters such as activation energy, entropy, enthalpy and Gibbs free energy were determined for the grown material using TG data and Coats-Redfern relation. Since the grown crystal is centrosymmetric, Z-Scan studies were carried out for analyzing the third order nonlinear optical property. The nonlinear absorption coefficient, nonlinear refractive index and susceptibility have been measured using Z-Scan technique.

Growth and characterization of hexaaquacobalt(II) dipotassium tetrahydrogen tetra-o-phthalate tetrahydrate crystals

Energy Technology Data Exchange (ETDEWEB)

Muthu, K. [Department of Chemistry, Annamalai University, Annamalainagar 608 002 (India); Bhagavannarayana, G. [National Physical Laboratory (CSIR), New Delhi 110 012 (India); Mahadevan, C.K. [Physics Research Centre, S.T. Hindu College, Nagercoil 629002 (India); Meenakshisundaram, S.P., E-mail: aumats2009@gmail.com [Department of Chemistry, Annamalai University, Annamalainagar 608 002 (India)

2013-05-15

Single crystals of hexaaquacobalt(II) dipotassium tetrahydrogen tetra-o-phthalate tetrahydrate K{sub 2}[Co(H{sub 2}O){sub 6}](C{sub 8}H{sub 5}O{sub 4}){sub 4}·4H{sub 2}O (PCHP), a semiorganic light-rose colored crystal of size ∼38 × 16 × 4 mm{sup 3} have been grown by slow evaporation solution growth technique. The lattice parameters of the as-grown crystals were obtained by single crystal X-ray diffraction analysis. The functional groups of the phthalate complex were confirmed by Fourier transform infrared spectroscopy analysis. The UV–Vis optical absorption spectrum of PCHP shows the lower optical cut-off at ∼300 nm and the crystal was transparent in the visible region. The structural perfection of the grown crystal has been analyzed by high-resolution X-ray diffraction (HRXRD) rocking curves (DC). The DC contains multi-peaks showing the structural grain boundaries. The dielectric, thermal and mechanical behaviors of the specimen were also studied. - Highlights: ► Bulk growth of large size phthalate complex crystals. ► Crystalline perfection of the grown crystal has been determined. ► HRXRD curves compared with pure material and the reasons are analyzed.

Theoretical considerations for the selection of electro-optic crystals for the grating-based laser beam modulators-deflectors

International Nuclear Information System (INIS)

Ramachandran, V.

1977-03-01

The optical properties of a crystal can be altered by the application of an external electric field. The electrically induced changes of the crystal properties may, in some cases, be utilized to modulate an optical beam. The nature of propagation of electromagnetic waves inside an optically anisotropic crystal and the variation of the optical properties with an applied electric field are discussed in this paper. The general criteria that must be satisfied by the crystals for efficient modulation and deflection are analyzed. In particular, the properties and suitable orientations of a Li Nb O 3 crystal are analyzed in some detail for using as an efficient modulator

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.

Ultrasmall-angle X-ray scattering analysis of photonic crystal structure

International Nuclear Information System (INIS)

Abramova, V. V.; Sinitskii, A. S.; Grigor'eva, N. A.; Grigor'ev, S. V.; Belov, D. V.; Petukhov, A. V.; Mistonov, A. A.; Vasil'eva, A. V.; Tret'yakov, Yu. D.

2009-01-01

The results of an ultrasmall-angle X-ray scattering study of iron(III) oxide inverse opal thin films are presented. The photonic crystals examined are shown to have fcc structure with amount of stacking faults varying among the samples. The method used in this study makes it possible to easily distinguish between samples with predominantly twinned fcc structure and nearly perfect fcc stacking. The difference observed between samples fabricated under identical conditions is attributed to random layer stacking in the self-assembled colloidal crystals used as templates for fabricating the inverse opals. The present method provides a versatile tool for analyzing photonic crystal structure in studies of inverse opals made of various materials, colloidal crystals, and three-dimensional photonic crystals of other types.

The influence of crystal structure on ion-irradiation tolerance in the Sm{sub (x)}Yb{sub (2-x)}TiO{sub 5} series

Energy Technology Data Exchange (ETDEWEB)

Aughterson, R.D., E-mail: roa@ansto.gov.au [Institute of Materials Engineering, Australian Nuclear Science and Technology Organisation, PMB 1, Menai, NSW 2234 (Australia); Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia); Lumpkin, G.R.; Reyes, M. de los [Institute of Materials Engineering, Australian Nuclear Science and Technology Organisation, PMB 1, Menai, NSW 2234 (Australia); Gault, B. [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Baldo, P.; Ryan, E. [Materials Science Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Whittle, K.R. [Centre for Materials and Structures, School of Engineering, The University of Liverpool, Liverpool L69 3GH UK (United Kingdom); Smith, K.L. [Government International and External Relations, Australian Nuclear Science and Technology Organisation, PMB 1, Menai, NSW 2234 (Australia); Cairney, J.M. [Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia)

2016-04-01

This ion-irradiation study covers the four major crystal structure types in the Ln{sub 2}TiO{sub 5} series (Ln = lanthanide), namely orthorhombic Pnma, hexagonal P6{sub 3}/mmc, cubic (pyrochlore-like) Fd-3m and cubic (fluorite-like) Fm-3m. This is the first systematic examination of the complete Ln{sub 2}TiO{sub 5} crystal system and the first reported examination of the hexagonal structure. A series of samples, based on the stoichiometry Sm{sub (x)}Yb{sub (2-x)}TiO{sub 5} (where x = 2, 1.4, 1, 0.6, and 0) have been irradiated using 1 MeV Kr{sup 2+} ions and characterised in-situ using a transmission electron microscope. Two quantities are used to define ion-irradiation tolerance: critical dose of amorphisation (D{sub c}), which is the irradiating ion dose required for a crystalline to amorphous transition, and the critical temperature (T{sub c}), above which the sample cannot be rendered amorphous by ion irradiation. The structure type plus elements of bonding are correlated to ion-irradiation tolerance. The cubic phases, Yb{sub 2}TiO{sub 5} and Sm{sub 0.6}Yb{sub 1.4}TiO{sub 5}, were found to be the most radiation tolerant, with T{sub c} values of 479 and 697 K respectively. The improved radiation tolerance with a change in symmetry to cubic is consistent with previous studies of similar compounds.

LIGHT INDUCED TELLURIUM ENRICHMENT ON CDZNTE CRYSTAL SURFACES DETECTED BY RAMAN SPECTROSCOPY

International Nuclear Information System (INIS)

Hawkins, S; Eliel Villa-Aleman, E; Martine Duff, M; Douglas Hunter, D

2007-01-01

Synthetic CdZnTe or 'CZT' crystals can be grown under controlled conditions to produce high quality crystals to be used as room temperature radiation detectors. Even the best crystal growth methods result in defects, such as tellurium secondary phases, that affect the crystal's performance. In this study, CZT crystals were analyzed by micro Raman spectroscopy. The growth of Te rich areas on the surface was induced by low powered lasers. The growth was observed versus time with low power Raman scattering and was observed immediately under higher power conditions. The detector response was also measured after induced Te enrichment

Growth, spectral properties, and laser demonstration of Nd:GYSO crystal

Science.gov (United States)

Li, D. Z.; Xu, X. D.; Cong, Z. H.; Zhang, J.; Tang, D. Y.; Zhou, D. H.; Xia, C. T.; Wu, F.; Xu, J.

2011-07-01

An Nd:GYSO crystal has been grown by the Czochralski technique. The cell parameters were analyzed with X-ray diffraction (XRD). Room-temperature absorption and fluorescence spectra and fluorescence lifetime of the Nd:GYSO crystal were measured and analyzed. The Judd-Ofelt intensity parameters Ω 2,4,6 were obtained to be 4.06, 4.65, and 3.63×10-20 cm2, respectively. The absorption and emission cross sections and the branching ratios were calculated. The peak-emission cross section is 3.8×10-20 cm2 at 1074 nm with a FWHM of 8.8 nm. Pumped by a laser diode, a maximum 1.54 W continuous-wave (CW) laser output has been obtained with a slope efficiency of 27.4%. All the results show that Nd:GYSO crystal is a promising laser material.

Structural, Linear, and Nonlinear Optical and Mechanical Properties of New Organic L-Serine Crystal

Directory of Open Access Journals (Sweden)

K. Rajesh

2014-01-01

Full Text Available Nonlinear optical single crystal of organic amino acid L-Serine (LS was grown by slow evaporation technique. Solubility study of the compound was measured and metastable zone width was found. Single crystal X-ray diffraction study was carried out for the grown crystal. The linear and nonlinear optical properties of the crystal were confirmed by UV-Vis analysis and powder SHG tester. FT-IR spectrum was recorded and functional groups were analyzed. Vickers’ microhardness studies showed the mechanical strength of the grown crystal. Laser damage threshold value of the crystal was calculated. Photoconductivity studies reveal the conductivity of the crystal.

Thermal, mechanical, optical and dielectric properties of piperazinium hydrogen phosphite monohydrate NLO single crystal

Science.gov (United States)

Rajkumar, R.; Praveen Kumar, P.

2018-05-01

Optical transparent crystal of piperazinium hydrogen phosphite monohydrate (PHPM) was grown by slow evaporation method. The grown crystal was characterized by single crystal X-ray diffraction analysis and the crystal belongs to monoclinic system. The functional groups present in PHPM crystal were confirmed by FTIR analysis. UV-Visible spectrum shows that the PHPM crystal is transparent in the visible region. The mechanical behavior of PHPM crystal was characterized by Vickers hardness test. Thermal stability of PHPM crystal was analyzed by thermogravimetric analysis. Dielectric studies were also carried out for the grown crystal. The third-order nonlinear parameters such as nonlinear refractive index and nonlinear absorption coefficient have been calculated using Z scan technique.

Electronic bandstructure of an incommensurate crystal

International Nuclear Information System (INIS)

Rasing, T.

1984-06-01

The consequences of an incommensurate lattice modulation on the electronic energy levels have been studied by optical transmission experiments on Rb 2 ZnBr 4 . The results are analyzed with a simple tight-binding model in which the superspace symmetry of the crystal is taken into account. The lattice translational symmetry of crystalline matter leads to the well known concepts of the Brillouin zones, Bloch electrons, phonons and the like. In a crystal where the lattice is periodically distorted with a period that is incommensurate with the underlying lattice, this translational symmetry is broken. Nonetheless, incommensurate crystals are perfectly ordered and can be described by higher dimensional so-called superspace groups. In this paper we will show how this superspace approach provides a natural framework to understand their electronic bandstructure as well. 5 references, 3 figures

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.

Physicochemical properties of dimethylammonium p-nitrophenolate– p-nitrophenol: A nonlinear optical crystal

International Nuclear Information System (INIS)

Rathika, A.; Prasad, L. Guru; Raman, R. Ganapathi

2016-01-01

Single crystals of Dimethylammonium p-nitrophenolate–p-nitrophenol have been grown from aqueous solution by slow evaporation solution growth technique. Unit cell parameters of the grown crystal were confirmed by single crystal X-ray diffraction analysis and the synthesized compound is crystallized in monoclinic system. Various functional groups and their vibrational frequencies were recognized from the FT-IR and FT-Raman spectrum. Thermal stability of the crystal was examined by recording the TGA/DTA curve. The grown crystal has wider transparency nature in the visible region and the lower cut-off wavelength is found at 465 nm. Mechanical property of the crystal was studied by analyzing the Vicker's microhardness measurements. The fluorescence emission from the crystal is observed at 350 nm which arise due to the presence of aromatic ring. Relative SHG conversion efficiency of the grown crystal is about 0.59 times that of KDP.

Physicochemical properties of dimethylammonium p-nitrophenolate– p-nitrophenol: A nonlinear optical crystal

Energy Technology Data Exchange (ETDEWEB)

Rathika, A. [Department of Physics, Noorul Islam Centre for Higher Education, Noorul Islam University, Kumaracoil 629 180 (India); Prasad, L. Guru [Departemnt of Science & Humanities, M. Kumarasamy College of Engineering, Karur (India); Raman, R. Ganapathi, E-mail: ganapathiraman83@gmail.com [Department of Physics, Noorul Islam Centre for Higher Education, Noorul Islam University, Kumaracoil 629 180 (India)

2016-03-15

Single crystals of Dimethylammonium p-nitrophenolate–p-nitrophenol have been grown from aqueous solution by slow evaporation solution growth technique. Unit cell parameters of the grown crystal were confirmed by single crystal X-ray diffraction analysis and the synthesized compound is crystallized in monoclinic system. Various functional groups and their vibrational frequencies were recognized from the FT-IR and FT-Raman spectrum. Thermal stability of the crystal was examined by recording the TGA/DTA curve. The grown crystal has wider transparency nature in the visible region and the lower cut-off wavelength is found at 465 nm. Mechanical property of the crystal was studied by analyzing the Vicker's microhardness measurements. The fluorescence emission from the crystal is observed at 350 nm which arise due to the presence of aromatic ring. Relative SHG conversion efficiency of the grown crystal is about 0.59 times that of KDP.

Fabrication and Analysis of Photonic Crystals

Science.gov (United States)

Campbell, Dean J.; Korte, Kylee E.; Xia, Younan

2007-01-01

These laboratory experiments are designed to explore aspects of nanoscale chemistry by constructing and spectroscopically analyzing thin films of photonic crystals. Films comprised of colloidal spheres and polydimethylsiloxane exhibit diffraction-based stop bands that shift reversibly upon exposure to some common solvents. Topics covered in these…

Habit control of deuterated potassium dihydrogen phosphate crystal for laser applications

Science.gov (United States)

Guzman, L. A.; Suzuki, M.; Fujimoto, Y.; Fujioka, K.

2016-03-01

In this study we investigate the habit of partially deuterated potassium dihydrogen phosphate (DKDP) crystals in the presence of Al3+ ions. We have grown single DKDP crystals in (50wt% and 80wt%) partially deuterated solutions and in solutions doped with Al3+ ions (2 ppm) by the point-seed rapid growth technique at controlled supercooling (ΔT=10°C). The growth length of each crystal face was measured and the aspect ratio was calculated. We found that crystals grown in partially deuterated solutions are similar in aspect ratio, while, crystals grown in deuterated solutions doped with Al3+ ions showed a relative change in aspect ratio, the crystal increased in size in the pyramidal direction (vertical axis direction). Crystal characteristics were also analyzed by X-ray diffraction, FTIR and Raman spectroscopy. We have speculated that the relative habit modification is due to a probably adsorption and inclusions of Al3+ ions in the prismatic section of the crystal.

Habit control of deuterated potassium dihydrogen phosphate crystal for laser applications

International Nuclear Information System (INIS)

Guzman, L A; Suzuki, M; Fujimoto, Y; Fujioka, K

2016-01-01

In this study we investigate the habit of partially deuterated potassium dihydrogen phosphate (DKDP) crystals in the presence of Al 3+ ions. We have grown single DKDP crystals in (50wt% and 80wt%) partially deuterated solutions and in solutions doped with Al 3+ ions (2 ppm) by the point-seed rapid growth technique at controlled supercooling (ΔT=10°C). The growth length of each crystal face was measured and the aspect ratio was calculated. We found that crystals grown in partially deuterated solutions are similar in aspect ratio, while, crystals grown in deuterated solutions doped with Al 3+ ions showed a relative change in aspect ratio, the crystal increased in size in the pyramidal direction (vertical axis direction). Crystal characteristics were also analyzed by X-ray diffraction, FTIR and Raman spectroscopy. We have speculated that the relative habit modification is due to a probably adsorption and inclusions of Al 3+ ions in the prismatic section of the crystal. (paper)

Benchmarking state-of-the-art numerical simulation techniques for analyzing large photonic crystal membrane line defect cavities

DEFF Research Database (Denmark)

Gregersen, Niels; de Lasson, Jakob Rosenkrantz; Frandsen, Lars Hagedorn

2018-01-01

In this work, we perform numerical studies of two photonic crystal membrane microcavities, a short line-defect L5 cavity with relatively low quality (Q) factor and a longer L9 cavity with high Q. We compute the cavity Q factor and the resonance wavelength λ of the fundamental M1 mode in the two...

Simulation and optimization of fractional crystallization processes

DEFF Research Database (Denmark)

Thomsen, Kaj; Rasmussen, Peter; Gani, Rafiqul

1998-01-01

A general method for the calculation of various types of phase diagrams for aqueous electrolyte mixtures is outlined. It is shown how the thermodynamic equilibrium precipitation process can be used to satisfy the operational needs of industrial crystallizer/centrifuge units. Examples of simulation...... and optimization of fractional crystallization processes are shown. In one of these examples, a process with multiple steady states is analyzed. The thermodynamic model applied for describing the highly non-ideal aqueous electrolyte systems is the Extended UNIQUAC model. (C) 1998 Published by Elsevier Science Ltd...

Preventing Crystal Agglomeration of Pharmaceutical Crystals Using Temperature Cycling and a Novel Membrane Crystallization Procedure for Seed Crystal Generation

Directory of Open Access Journals (Sweden)

Elena Simone

2018-01-01

Full Text Available In this work, a novel membrane crystallization system was used to crystallize micro-sized seeds of piroxicam monohydrate by reverse antisolvent addition. Membrane crystallization seeds were compared with seeds produced by conventional antisolvent addition and polymorphic transformation of a fine powdered sample of piroxicam form I in water. The membrane crystallization process allowed for a consistent production of pure monohydrate crystals with narrow size distribution and without significant agglomeration. The seeds were grown in 350 g of 20:80 w/w acetone-water mixture. Different seeding loads were tested and temperature cycling was applied in order to avoid agglomeration of the growing crystals during the process. Focused beam reflectance measurement (FBRM; and particle vision and measurement (PVM were used to monitor crystal growth; nucleation and agglomeration during the seeded experiments. Furthermore; Raman spectroscopy was used to monitor solute concentration and estimate the overall yield of the process. Membrane crystallization was proved to be the most convenient and consistent method to produce seeds of highly agglomerating compounds; which can be grown via cooling crystallization and temperature cycling.

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

Studies on the growth and characterization of tris (glycine) calcium({Iota}{Iota}) dichloride-a nonlinear optical crystal

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@ssn.edu.i [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603 110 (India)

2011-01-01

A systematic characterization of a novel nonlinear optical material tris (glycine) calcium({Iota}{Iota}) dichloride (TGCC) is performed. The solubility and metastable zone width of TGCC were studied. TGCC single crystal of dimensions 34x23x5 mm{sup 3} was grown by the slow evaporation technique. Single crystal X-ray diffraction studies reveal that the crystal belongs to orthorhombic system. Energy dispersive X-ray analysis confirms the presence of elements in the crystal. Structural perfection of the as-grown single crystal was studied through multicrystal X-ray diffraction analysis. The thermal characteristics of TGCC were analyzed by thermogravimetric and differential thermal analysis and differential scanning calorimetry. The transmittance of TGCC crystal has been used to calculate the optical band gap of the crystal. Chemical etching studies of TGCC crystal was carried out. The dielectric and mechanical behavior of the crystals were analyzed. The second harmonic conversion property of TGCC was identified by the Kurtz and Perry powder technique and was observed to be higher than that of KDP.

On the origin of surface imposed anisotropic growth of salicylic and acetylsalicylic acids crystals during droplet evaporation

OpenAIRE

Przybyłek, Maciej; Cysewski, Piotr; Pawelec, Maciej; Ziółkowska, Dorota; Kobierski, Mirosław

2018-01-01

In this paper droplet evaporative crystallization of salicylic acid (SA) and acetylsalicylic acid (ASA) crystals on different surfaces, such as glass, polyvinyl alcohol (PVA), and paraffin was studied. The obtained crystals were analyzed using powder X-ray diffraction (PXRD) technique. In order to better understand the effect of the surface on evaporative crystallization, crystals deposited on glass were scraped off. Moreover, evaporative crystallization of a large volume of solution was perf...

Fabrication of photonic crystals on several kinds of semiconductor materials by using focused-ion beam method

International Nuclear Information System (INIS)

Xu Xingsheng; Chen Hongda; Xiong Zhigang; Jin Aizi; Gu Changzhi; Cheng Bingying; Zhang Daozhong

2007-01-01

In this paper, we introduced the fabrication of photonic crystals on several kinds of semiconductor materials by using focused-ion beam machine, it shows that the method of focused-ion beam can fabricate two-dimensional photonic crystal and photonic crystal device efficiently, and the quality of the fabricated photonic crystal is high. Using the focused-ion beam method, we fabricate photonic crystal wavelength division multiplexer, and its characteristics are analyzed

Monomial Crystals and Partition Crystals

Science.gov (United States)

Tingley, Peter

2010-04-01

Recently Fayers introduced a large family of combinatorial realizations of the fundamental crystal B(Λ0) for ^sln, where the vertices are indexed by certain partitions. He showed that special cases of this construction agree with the Misra-Miwa realization and with Berg's ladder crystal. Here we show that another special case is naturally isomorphic to a realization using Nakajima's monomial crystal.

Induced Magnetic Anisotropy in Liquid Crystals Doped with Resonant Semiconductor Nanoparticles

Directory of Open Access Journals (Sweden)

Vicente Marzal

2016-01-01

Full Text Available Currently, there are many efforts to improve the electrooptical properties of liquid crystals by means of doping them with different types of nanoparticles. In addition, liquid crystals may be used as active media to dynamically control other interesting phenomena, such as light scattering resonances. In this sense, mixtures of resonant nanoparticles hosted in a liquid crystal could be a potential metamaterial with interesting properties. In this work, the artificial magnetism induced in a mixture of semiconductor nanoparticles surrounded by a liquid crystal is analyzed. Effective magnetic permeability of mixtures has been obtained using the Maxwell-Garnett effective medium theory. Furthermore, permeability variations with nanoparticles size and their concentration in the liquid crystal, as well as the magnetic anisotropy, have been studied.

Slow neutron scattering in molecular crystals. 5-4

International Nuclear Information System (INIS)

Inoue, Kazuhiko

1976-01-01

The utilization of incoherent inelastic neutron scattering (INS) as a probe for molecular crystals is reviewed. In particular, some typical examples of the measurement of incoherent inelastic neutron scattering spectra (INSS) in molecular crystals are presented in the first section of this report. The results of measurement are shown for theta-xylene, benzene, polypropylene oxide, deuteride, and formic acid. The second section presents an equation for the incoherent scattering cross section of a crystal by dividing the molecular motion into the outer and inner modes. Phonon expansion is also used for the easy understanding of the relation between the INSS and the dynamic characteristics of molecular crystals. In the third section, the measured results are analyzed on the basis of the theory presented in the previous section. And the difference between the van der Waals bond and the hydrogen bond is shortly discussed. (Aoki, K.)

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

International Nuclear Information System (INIS)

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

2016-01-01

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

Ultra-high tunable liquid crystal-plasmonic photonic crystal fiber polarization filter.

Science.gov (United States)

Hameed, Mohamed Farhat O; Heikal, A M; Younis, B M; Abdelrazzak, Maher; Obayya, S S A

2015-03-23

A novel ultra-high tunable photonic crystal fiber (PCF) polarization filter is proposed and analyzed using finite element method. The suggested design has a central hole infiltrated with a nematic liquid crystal (NLC) that offers high tunability with temperature and external electric field. Moreover, the PCF is selectively filled with metal wires into cladding air holes. Results show that the resonance losses and wavelengths are different in x and y polarized directions depending on the rotation angle φ of the NLC. The reported filter of compact device length 0.5 mm can achieve 600 dB / cm resonance losses at φ = 90° for x-polarized mode at communication wavelength of 1300 mm with low losses of 0.00751 dB / cm for y-polarized mode. However, resonance losses of 157.71 dB / cm at φ = 0° can be achieved for y-polarized mode at the same wavelength with low losses of 0.092 dB / cm for x-polarized mode.

Numerical methods for modeling photonic-crystal VCSELs

DEFF Research Database (Denmark)

Dems, Maciej; Chung, Il-Sug; Nyakas, Peter

2010-01-01

We show comparison of four different numerical methods for simulating Photonic-Crystal (PC) VCSELs. We present the theoretical basis behind each method and analyze the differences by studying a benchmark VCSEL structure, where the PC structure penetrates all VCSEL layers, the entire top-mirror DBR...... to the effective index method. The simulation results elucidate the strength and weaknesses of the analyzed methods; and outline the limits of applicability of the different models....

Growth, morphology, spectral and thermal studies of gel grown diclofenac acid crystals

Science.gov (United States)

Ramachandran, E.; Ramukutty, S.

2014-03-01

The crystal growth of diclofenac acid in silica gel is the first to be reported in literature. The growth parameters were varied to optimize the suitable growth condition. Single crystal X-ray diffraction method was used for the conformation of the crystal structure. Morphology studies showed that the growth is prominent along the b-axis and the prominent face is {002}. Fourier transform infrared spectral study was performed to identify the functional groups present in the crystal. Thermal stability and decomposition of the material were analyzed using thermo calorimetry in the temperature range 30-500 °C.

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

Science.gov (United States)

Praetorius, Simon; Voigt, Axel

2015-04-21

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

Growth and characterization of magnesium chloride and lanthanum chloride doped strontium tartrate crystals - gel method

International Nuclear Information System (INIS)

Kalaiarasi, S.; Jaikumar, D.

2014-01-01

Growth of single crystals of doped strontium tartrate by controlled diffusion of strontium chloride into the silica gel charged with tartaric acid at room temperature is narrated. In this study, we synthesized magnesium chloride (5% and 10%) doped strontium tartrate crystals and Lanthanum chloride (5%, 10% and 15%) doped strontium tartrate crystals are grown. The crystal structure of the compound crystals was confirmed by single crystal X-ray diffraction. The Fourier transform infrared spectrum of pure and doped crystals are recorded and analyzed. The UV-Vis-NIR spectrum analysis reveals that the optical study of the grown crystals. The second harmonic generation efficiency was measured by using Kurtz powder technique with Nd:YAG laser of wavelength 1064 nm. (author)

Synthesis, Crystal Growth, Spectroscopic and Electrical Properties of 5-tert-Butyl-1,2,3-trinitrobenzene

Directory of Open Access Journals (Sweden)

S. Sahaya Jude Dhas

2013-01-01

Full Text Available 5-tert-Butyl-1,2,3-trinitrobenzene (TBTB was synthesized and characterized by NMR so as to confirm the structure. Single crystals were obtained from methanol by solvent evaporation technique at room temperature. Optically transparent single crystals with dimension up to 17×4×3 mm3 have been grown by submerged seed solution method within a period of 30 days. The modes of vibration of different molecular groups present in the title compound were identified by FTIR and FT-Raman spectral analyses, and it was found with the tabulation that both of the spectral vibrations are very close to each other confirming the existence of specific functional groups in the crystal. Optical behaviour of the crystal was analyzed by UV-Vis absorption studies, and the value of the optical band gap energy (Eg of the crystal has been determined using the optical absorption spectrum. The dielectric behaviour and AC conductivity of the grown crystals were also analyzed, and it is shown that both properties vary with respect to frequency and do not vary in accordance with temperature.

Benchmarking state-of-the-art optical simulation methods for analyzing large nanophotonic structures

DEFF Research Database (Denmark)

Gregersen, Niels; de Lasson, Jakob Rosenkrantz; Frandsen, Lars Hagedorn

2018-01-01

Five computational methods are benchmarked by computing quality factors and resonance wavelengths inphotonic crystal membrane L5 and L9 line defect cavities. Careful convergence studies reveal that some methods are more suitable than others for analyzing these cavities....

Direct detection of antihydrogen atoms using a BGO crystal

Energy Technology Data Exchange (ETDEWEB)

Nagata, Y. [Department of Applied Physics, Tokyo University of Agriculture and Technology, 2-24-16 Naka-cho, Koganei-shi, 184-8588 Tokyo (Japan); Atomic Physics Research Unit, RIKEN, 2-1 Hirosawa, Wako-shi, 351-0198 Saitama (Japan); Kuroda, N., E-mail: kuroda@phys.c.u-tokyo.ac.jp [Institute of Physics, University of Tokyo, 3-8-1 Komaba, Meguro-ku, 153-8902 Tokyo (Japan); Atomic Physics Research Unit, RIKEN, 2-1 Hirosawa, Wako-shi, 351-0198 Saitama (Japan); Ohtsuka, M. [Institute of Physics, University of Tokyo, 3-8-1 Komaba, Meguro-ku, 153-8902 Tokyo (Japan); Leali, M.; Lodi-Rizzini, E.; Mascagna, V. [Dipartimento di Ingegneria dell' Informazione, Universitá di Brescia, Brescia 25133 (Italy); Istituto Nazionale di Fisica Nucleare, Gruppo Collegato di Brescia, Brescia 25133 (Italy); Tajima, M.; Torii, H.A. [Institute of Physics, University of Tokyo, 3-8-1 Komaba, Meguro-ku, 153-8902 Tokyo (Japan); Atomic Physics Research Unit, RIKEN, 2-1 Hirosawa, Wako-shi, 351-0198 Saitama (Japan); Zurlo, N. [Dipartimento di Ingegneria dell' Informazione, Universitá di Brescia, Brescia 25133 (Italy); Istituto Nazionale di Fisica Nucleare, Gruppo Collegato di Brescia, Brescia 25133 (Italy); Matsuda, Y. [Institute of Physics, University of Tokyo, 3-8-1 Komaba, Meguro-ku, 153-8902 Tokyo (Japan); Atomic Physics Research Unit, RIKEN, 2-1 Hirosawa, Wako-shi, 351-0198 Saitama (Japan); Venturelli, L. [Dipartimento di Ingegneria dell' Informazione, Universitá di Brescia, Brescia 25133 (Italy); Istituto Nazionale di Fisica Nucleare, Gruppo Collegato di Brescia, Brescia 25133 (Italy); Yamazaki, Y. [Atomic Physics Research Unit, RIKEN, 2-1 Hirosawa, Wako-shi, 351-0198 Saitama (Japan)

2016-12-21

The ASACUSA collaboration has developed a detector consisting of a large size BGO crystal to detect an atomic antihydrogen beam, and performed the direct detection of antihydrogen atoms. Energy spectra from antihydrogen annihilation on the BGO crystal are discussed in comparison to simulation results from the GEANT4 toolkit. Background mainly originating from cosmic rays were strongly suppressed by analyzing the energy deposited in the BGO and requiring a multiplicity of charged pions. Thus antihydrogen events were identified.

Effect of solvent on crystallization behavior of xylitol

Science.gov (United States)

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

2006-04-01

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

Light-Induced Tellurium Enrichment on CdZnTe Crystal Surfaces Detected by Raman Spectroscopy

International Nuclear Information System (INIS)

Hawkins, Samantha A.; Villa-Aleman, Eliel; Duff, Martine C.; Hunter, Doug B.; Burger, Arnold; Groza, Michael; Buliga, Vladimir; Black, David R.

2008-01-01

CdZnTe (CZT) crystals can be grown under controlled conditions to produce high-quality crystals to be used as room-temperature radiation detectors. Even the best crystal growth methods result in defects, such as tellurium secondary phases, that affect the crystal's performance. In this study, CZT crystals were analyzed by micro-Raman spectroscopy. The growth of Te rich areas on the surface was induced by low-power lasers. The growth was observed versus time with low-power Raman scattering and was observed immediately under higher-power conditions. The detector response was also measured after induced Te enrichment.

Hp Ge: Purification, crystal growth, and annealing properties

International Nuclear Information System (INIS)

Hall, R.N.

1984-01-01

The prospects for growing HP Ge crystals of increased size and purity are examined. One interesting approach is to grow dislocation-free crystals, which must then be annealed to reduce the concentration of V 2 H traps. The phenomena which occur during annealing are discussed and compared with experiment. Hydrogen, present in atomic form at the growth temperature, forms H 2 molecules during cooling, causing the effective diffusion coefficient to decrease rapidly. Models representing the reactions between H and the V 2 H, A(H, Si), and D(H,O) complexes are presented and analyzed

Laser induced single-crystal transition in polycrystalline silicon

International Nuclear Information System (INIS)

Vitali, G.; Bertolotti, M.; Foti, G.; Rimini, E.

1978-01-01

Transition to single crystal of polycrystalline Si material underlying a Si crystal substrate of 100 orientation was obtained via laser irradiation. The changes in the structure were analyzed by reflection high energy electron diffraction and by channeling effect technique using 2.0 MeV He Rutherford scattering. The power density required to induce the transition in a 4500 A thick polycrystalline layer is about 70 MW/cm 2 (50ns). The corresponding amorphous to single transition has a threshold of about 45 MW/cm 2 . (orig.) 891 HPOE [de

Three-dimensional Random Voronoi Tessellations: From Cubic Crystal Lattices to Poisson Point Processes

OpenAIRE

Lucarini, Valerio

2008-01-01

We perturb the SC, BCC, and FCC crystal structures with a spatial Gaussian noise whose adimensional strength is controlled by the parameter a, and analyze the topological and metrical properties of the resulting Voronoi Tessellations (VT). The topological properties of the VT of the SC and FCC crystals are unstable with respect to the introduction of noise, because the corresponding polyhedra are geometrically degenerate, whereas the tessellation of the BCC crystal is topologically stable eve...

Membrane crystallization for recovery of salts from produced water

DEFF Research Database (Denmark)

Quist-Jensen, Cejna Anna; Jensen, Henriette Casper; Ali, Aamer

Membrane Crystallization (MCr) is a novel technology able to recover freshwater and high-purity salts from complex solutions and therefore, is suggested for a better exploitation of wastewater streams. Unlike other membrane processes, MCr is not limited by high concentrations and, therefore, the ......, the membrane maintained its hydrophobic nature despite that produced water contained oil residues. Conductivity and HPLC was utilized to analyze the quality of the permeate stream......., the solutions can be treated to achieve saturation level. Hereby different salts can be precipitated and directly recovered from various streams. In this study, it is shown that MCr is able to treat produced water by producing clean water and simultaneously NaCl crystals. The recovered crystals exhibited high...

Disclosure of domain structure in cubic CaxZr1-xO2-x, 0x15 ≤ x ≤ 0x20, by Talbot image enhancement of high-resolution electron micrographs

International Nuclear Information System (INIS)

Rossell, H.J.; Wilson, I.J.; Sellar, J.R.

1991-01-01

High-resolution electron microscope images have been recorded of several cystalline samples of calcia-stabilized zirconia (Ca-CSZ) and of the fluorite-related superstructure phase φ 1 (CaZr 4 O 9 ). The contrast of the CSZ images has been enhanced markedly by the light-optical Talbot self-imaging technique. Is is demonstrated that the CSZ crystals contain a coherent dispersion of microdomains approximately 30 A in diameter, and that the structure of the microdomains is that of φ 1 . (orig.)

Axion-photon conversion in space and in low symmetrical dielectric crystals

International Nuclear Information System (INIS)

Gorelik, V S

2016-01-01

The opportunities of axions detection as the result of axion-photon conversion processes in the space and in low symmetrical dielectric crystals are discussed. In accordance with the modern theory predictions, axions are pseudoscalar vacuum particles having very small (0.001-1.0 meV) rest energy. The possibility of axions conversion into photons and vice-versa processes in vacuum at the presence of outer magnetic field has been analyzed before. Pseudoscalar (axion type) modes are existing in some types of crystals. Polar pseudoscalar lattice and exciton modes in low symmetrical crystals are strongly interacted with axions. In this work, optical excitation of axion-type modes in low symmetrical crystals is proposed for observation of axion - photon conversion processes. Instead of outer magnetic field, the crystalline field of such crystals may be used. The experimental schemes for axion-photon conversion processes observation with recording the secondary emission of luminescence, infrared or Stimulated Raman Scattering in some dielectric crystals are discussed. (paper)

Co-crystallization of cholesterol and calcium phosphate as related to atherosclerosis

Science.gov (United States)

Hirsch, Danielle; Azoury, Reuven; Sarig, Sara

1990-09-01

Calcification of atherosclerotic plaques occurs very frequently and aggravates the disease. In biological systems, epitaxial relationships between crystal structures may be important in nucleating the deposit of a solid phase. The biologically preferred calcium phosphate species, apatite, and cholesterol crystal have structurally compatible crystallographic faces which allow epitaxial growth of one crystal upon another. The present study describes a new approach to explore, in vitro, the crystallization processes of calcium phosphate (CaP) with cholesterol (CS) and cholestanol (CN) which are related to atherosclerosis. Aqueous solutions containing calcium and phosphate ions or CaP crystals as hydroxyapatite were added into saturated ethanolic solutions of CS or CS and 10% CN. After precipitation, crystals were collected and analyzed by nuclear magnetic resonance (NMR), infra-red (IR), X-ray, scanning electron microscope (SEM-LINK), differential scanning calorimeter (DSC) and atomic absorption. The principal result is the well-formed crystals precipitation when an aqueous solution and CaP seed crystals were added to saturated solutions of CS and 10% CN. Cholesterol-cholestanol dihydrate (CC2W) crystals precipitated in the presence of CaP seeds were compared to the CC2W crystals obtained without the mineral compound. The results of this comparison indicate a special link between crystals of CaP and CC2W, and support the epitaxial relationship between the two kinds of crystals. The potential of CC2W crystals to be precipitated by CaP seed crystals prove likewise the possible significant role of the cholestanol metabolite in the process of cholesterol crystallization and calcification in the arteries.

Multi-dimensional population balance models of crystallization processes

DEFF Research Database (Denmark)

Meisler, Kresten Troelstrup; von Solms, Nicolas

A generic and model-based framework for batch cooling crystallization operations has been extended to incorporate continuous and fed-batch processes. Modules for the framework have been developed, including a module for reactions, allowing the study of reactive crystallization within the framework....... A kinetic model library together with an ontology for knowledge representation has been developed, in which kinetic models and relations from the literature are stored along with the references and data. The model library connects to the generic modelling framework as well, as models can be retrieved......, analyzed, used for simulation and stored again. The model library facilitates comparison of expressions for kinetic phenomena and is tightly integrated with the model analysis tools of the framework.Through the framework, a model for a crystallization operation may be systematically generated...

Polarization singularities of optical fields caused by structural dislocations in crystals

International Nuclear Information System (INIS)

Savaryn, V; Vasylkiv, Yu; Krupych, O; Skab, I; Vlokh, R

2013-01-01

We analyze polarization singularities of optical beams that propagate through crystals possessing structural dislocations. We show that screw dislocations of crystalline structure can lead to the appearance of purely screw-type dislocations of light wavefronts. This can happen only in crystals that belong to trigonal and cubic systems. These polarization singularities will give rise to optical vortices with the topological charge equal to ±1, whenever a crystal sample is placed between crossed circular polarizers. We have also found that edge dislocations present in the cubic and trigonal crystals, with the Burgers vector perpendicular to the three-fold symmetry axes, can impose mixed screw-edge dislocations in the wavefronts of optical beams and generate singly charged optical vortices. The results of our analysis can be applied for detecting and identifying dislocations of different types available in crystals. (paper)

Homogeneous SiGe crystal growth in microgravity by the travelling liquidus-zone method

International Nuclear Information System (INIS)

Kinoshita, K; Arai, Y; Inatomi, Y; Sakata, K; Takayanagi, M; Yoda, S; Miyata, H; Tanaka, R; Sone, T; Yoshikawa, J; Kihara, T; Shibayama, H; Kubota, Y; Shimaoka, T; Warashina, Y

2011-01-01

Homogeneous SiGe crystal growth experiments will be performed on board the ISS 'Kibo' using a gradient heating furnace (GHF). A new crystal growth method invented for growing homogeneous mixed crystals named 'travelling liquidus-zone (TLZ) method' is evaluated by the growth of Si 0.5 Ge 0.5 crystals in space. We have already succeeded in growing homogeneous 2mm diameter Si 0.5 Ge 0.5 crystals on the ground but large diameter homogeneous crystals are difficult to be grown due to convection in a melt. In microgravity, larger diameter crystals can be grown with suppressing convection. Radial concentration profiles as well as axial profiles in microgravity grown crystals will be measured and will be compared with our two-dimensional TLZ growth model equation and compositional variation is analyzed. Results are beneficial for growing large diameter mixed crystals by the TLZ method on the ground. Here, we report on the principle of the TLZ method for homogeneous crystal growth, results of preparatory experiments on the ground and plan for microgravity experiments.

2D director calculation for liquid crystal optical phased array

International Nuclear Information System (INIS)

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

2005-01-01

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

Modeling and simulation of Si crystal growth from melt

Energy Technology Data Exchange (ETDEWEB)

Liu, Lijun; Liu, Xin; Li, Zaoyang [National Engineering Research Center for Fluid Machinery and Compressors, School of Energy and Power Engineering, Xi' an Jiaotong University, Xi' an, Shaanxi 710049 (China); Miyazawa, Hiroaki; Nakano, Satoshi; Kakimoto, Koichi [Research Institute for Applied Mechanics, Kyushu University, Kasuga 816-8580 (Japan)

2009-07-01

A numerical simulator was developed with a global model of heat transfer for any crystal growth taking place at high temperature. Convective, conductive and radiative heat transfers in the furnace are solved together in a conjugated way by a finite volume method. A three-dimensional (3D) global model was especially developed for simulation of heat transfer in any crystal growth with 3D features. The model enables 3D global simulation be conducted with moderate requirement of computer resources. The application of this numerical simulator to a CZ growth and a directional solidification process for Si crystals, the two major production methods for crystalline Si for solar cells, was introduced. Some typical results were presented, showing the importance and effectiveness of numerical simulation in analyzing and improving these kinds of Si crystal growth processes from melt. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Crystal growth and characterization of REFeAsO (RE = La, Nd) and LaFePO

Energy Technology Data Exchange (ETDEWEB)

Adamski, Agnes; Abdel-Hafiez, Mahmoud; Krellner, Cornelius [Physikalisches Institut, Goethe Universitaet, D-60438 Frankfurt am Main (Germany)

2016-07-01

Since the discovery of iron-based superconductors, much effort was put on the crystal growth of the various systems and their characterization. Although, the initial flurry of activities was mainly performed on the 1111 systems, the focus has been rapidly shifted towards other materials, were large high-quality crystals are available. In contrast, the growth of sizeable high-quality single crystals of 1111 compounds is extremely challenging, slowing down the scientific progress in this type of compounds. Here we report on the crystal growth of 1111-type materials under ambient pressure conditions and by using the flux technique. The influence of the material to flux ratio was systematically studied. Subsequently, the obtained samples were analyzed with powder diffractometry, electron microscope, energy dispersive X-ray analysis, Laue diffractometry and magnetic measurements to analyze the structural and magnetic properties.

Photonic time crystals.

Science.gov (United States)

Zeng, Lunwu; Xu, Jin; Wang, Chengen; Zhang, Jianhua; Zhao, Yuting; Zeng, Jing; Song, Runxia

2017-12-07

When space (time) translation symmetry is spontaneously broken, the space crystal (time crystal) forms; when permittivity and permeability periodically vary with space (time), the photonic crystal (photonic time crystal) forms. We proposed the concept of photonic time crystal and rewritten the Maxwell's equations. Utilizing Finite Difference Time Domain (FDTD) method, we simulated electromagnetic wave propagation in photonic time crystal and photonic space-time crystal, the simulation results show that more intensive scatter fields can obtained in photonic time crystal and photonic space-time crystal.

Virtual Crystallizer

Energy Technology Data Exchange (ETDEWEB)

Land, T A; Dylla-Spears, R; Thorsness, C B

2006-08-29

Large dihydrogen phosphate (KDP) crystals are grown in large crystallizers to provide raw material for the manufacture of optical components for large laser systems. It is a challenge to grow crystal with sufficient mass and geometric properties to allow large optical plates to be cut from them. In addition, KDP has long been the canonical solution crystal for study of growth processes. To assist in the production of the crystals and the understanding of crystal growth phenomena, analysis of growth habits of large KDP crystals has been studied, small scale kinetic experiments have been performed, mass transfer rates in model systems have been measured, and computational-fluid-mechanics tools have been used to develop an engineering model of the crystal growth process. The model has been tested by looking at its ability to simulate the growth of nine KDP boules that all weighed more than 200 kg.

Atmospheric dust deposition on soils around an abandoned fluorite mine (Hammam Zriba, NE Tunisia).

Science.gov (United States)

Djebbi, Chaima; Chaabani, Fredj; Font, Oriol; Queralt, Ignasi; Querol, Xavier

2017-10-01

The present study focuses on the eolian dispersion and dust deposition, of major and trace elements in soils in a semi-arid climate, around an old fluorite (CaF 2 ) and barite (BaSO 4 ) mine, located in Hammam Zriba in Northern Tunisia. Ore deposits from this site contain a high amount of metal sulphides constituting heavy metal pollution in the surrounding environment. Samples of waste from the surface of mine tailings and agricultural topsoil samples in the vicinity of the mine were collected. The soil samples and a control sample from unpolluted area, were taken in the direction of prevailing northwest and west winds. Chemical analysis of these solids was performed using both X-ray fluorescence and X-ray diffraction. To determine the transfer from mine wastes to the soils, soluble fraction was performed by inductively coupled plasma and ionic chromatography. The fine grained size fraction of the un-restored tailings, still contained significant levels of barium, strontium, sulphur, fluorine, zinc and lead with mean percentages (wt%) of 30 (calculated as BaO), 13 (as SrO), 10 (as SO 3 ), 4 (F), 2 (Zn) and 1.2 (Pb). Also, high concentrations of cadmium (Cd), arsenic (As) and mercury (Hg) were found with an averages of 36, 24 and 1.2mgkg -1 , respectively. As a result of the eolian erosion of the tailings and their subsequent wind transport, the concentrations of Ba, Sr, S, F, Zn and Pb were extremely high in the soils near to the tailings dumps, with 5%, 4%, 7%, 1%, 0.8% and 0.2%, respectively. Concentration of major pollutants decreases with distance, but they were high even in the farthest samples. Same spatial distribution was observed for Cd, As and Hg. While, the other elements follow different spatial patterns. The leaching test revealed that most elements in the mining wastes, except for the anions, had a low solubility despite their high bulk concentrations. According the 2003/33/CE Decision Threshold, some of these tailings samples were considered as

Simulation of an IXS imaging analyzer with an extended scattering source

Energy Technology Data Exchange (ETDEWEB)

Suvorov, Alexey [Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source II; Cai, Yong Q. [Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source II

2016-09-15

A concept of an inelastic x-ray scattering (IXS) spectrograph with an imaging analyzer was proposed recently and discussed in a number of publications (see e.g. Ref.1). The imaging analyzer as proposed combines x-ray lenses with highly dispersive crystal optics. It allows conversion of the x-ray energy spectrum into a spatial image with very high energy resolution. However, the presented theoretical analysis of the spectrograph did not take into account details of the scattered radiation source, i.e. sample, and its impact on the spectrograph performance. Using numerical simulations we investigated the influence of the finite sample thickness, the scattering angle and the incident energy detuning on the analyzer image and the ultimate resolution.

Static magnetic susceptibility, crystal field and exchange interactions in rare earth titanate pyrochlores

NARCIS (Netherlands)

Malkin, B. Z.; Lummen, T. T. A.; van Loosdrecht, P. H. M.; Dhalenne, G.; Zakirov, A. R.

2010-01-01

The experimental temperature dependence (T = 2-300 K) of single crystal bulk and site susceptibilities of rare earth titanate pyrochlores R2Ti2O7 (R = Sm, Eu, Gd, Tb, Dy, Ho, Er, Yb) is analyzed in the framework of crystal field theory and a mean field approximation. Analytical expressions for the

Crystallization of calcium carbonate on radiation-grafted polyethylene films

International Nuclear Information System (INIS)

Hou Zhengchi; Zhang Fengying; Deng Bo; Yang Haijun; Chen Shuang; Sheng Kanglong

2006-01-01

In biomineralization processes, nucleation and growth of inorganic crystals can be regulated by organic template molecules. This has inspired great interest in studying mimic biomineralization. In our study, growing CaCO 3 crystals on PE films functionalized through radiation-induced grafting was attempted. PE films grafted with different functional groups of different distributions and densities were used as substrates for CaCO 3 nucleation and crystal growth from Ca(HCO 3 ) 2 supersaturated solution under different environmental conditions (e.g. additives and temperature) to study the effects and mechanisms. The grafted PE films were analyzed by ATR-FTIR and AFM, and the evolution of CaCO 3 crystal formation on the grafted PE film was characterized by SEM, FTIR, and XRD. The results indicated that heterogeneous nucleation of CaCO 3 crystals was significantly facilitated by the functional groups grafted on the surface of PE films, that the morphology of CaCO 3 crystals could be controlled by distribution and density of the grafted functional groups, and that polymorphism of CaCO 3 crystal could be regulated by selection of grafting functional groups. We believe that studying the effects of chemical structures on inorganic crystallization is of great importance since radiation-induced grafting is an effective method to graft desirable functional groups onto different polymers by selected monomers, in the endeavor of developing advanced organic/inorganic composites with high performance, with a wide availability of polymers, monomers and inorganic solutions. (authors)

Twinning structures in near-stoichiometric lithium niobate single crystals

International Nuclear Information System (INIS)

Yao, Shuhua; Chen, Yanfeng

2010-01-01

A near-stoichiometric lithium niobate single crystal has been grown by the Czochralski method in a hanging double crucible with a continuous powder supply system. Twins were found at one of the three characteristic growth ridges of the as-grown crystal. The twin structure was observed and analyzed by transmission synchrotron topography. The image shifts ΔX and ΔY in the transmission synchrotron topograph were calculated for the 3 anti 2 anti 12 and 0 anti 222 reflections based on results from high-resolution X-ray diffractometry. It is confirmed that one of the {01 anti 1 anti 2} m planes is the composition face of the twin and matrix crystals. The formation mechanism of these twins is discussed. (orig.)

Crystal Growth Technology

Science.gov (United States)

Scheel, Hans J.; Fukuda, Tsuguo

2004-06-01

This volume deals with the technologies of crystal fabrication, of crystal machining, and of epilayer production and is the first book on industrial and scientific aspects of crystal and layer production. The major industrial crystals are treated: Si, GaAs, GaP, InP, CdTe, sapphire, oxide and halide scintillator crystals, crystals for optical, piezoelectric and microwave applications and more. Contains 29 contributions from leading crystal technologists covering the following topics: General aspects of crystal growth technology Silicon Compound semiconductors Oxides and halides Crystal machining Epitaxy and layer deposition Scientific and technological problems of production and machining of industrial crystals are discussed by top experts, most of them from the major growth industries and crystal growth centers. In addition, it will be useful for the users of crystals, for teachers and graduate students in materials sciences, in electronic and other functional materials, chemical and metallurgical engineering, micro-and optoelectronics including nanotechnology, mechanical engineering and precision-machining, microtechnology, and in solid-state sciences.

Sex differences in fluid and crystalized intelligence focus on people with psychosis

Directory of Open Access Journals (Sweden)

Ćosović Vojislav

2016-01-01

Full Text Available Introduction: Fluid intelligence is described as ability to rapidly solve novel problems and capacity to manage and easily adapt to new situations. Crystallized intelligence reflects ability to timely use lifetime-learned information and skills. Bearing in mind that intelligence is one of the impaired cognitive functions in psychosis, a question arises there are if any sex differences in patients, regarding total IQ, fluid or crystallized intelligence. Aim: To evaluate sex differences in psychosis and to analyze the differences between patients and sex, age and origin matched healthy controls. Materials and methods: This cross-sectional study evaluated schizophrenia spectrum patients (F20-29 based on ICD10; n = 52, age = 29,3±5,9 years, illness duration <10 years and controls (n = 51, age = 29,8±6,3 years. Descriptive and inferential statistics were used to analyze data. Results: Analyzing sex differences in total IQ, fluid and crystalized IQ, it has been found that women exhibited lower crystallized intelligence scores both in the patient group (p = 0,039 and in the control group (p = 0,016. Among male patients, lower scores were found in comparison to the healthy male controls in all of the categories, while female patients scores in crystallized intelligence were not significantly different in comparison to female healthy group ((p = 0,160. Conclusion: In the male subjects with psychosis, a deficit was found in both subdomains of intelligence, while in female subjects it was found in fluid intelligence only. Factors which could serve as protective from greater cognitive impairment in female patients need further evaluation, as a sign of potential mechanisms that could ameliorate the course and prognosis of schizophrenia spectrum disorders.

Two-Dimentional Photonic Crystal Waveguides

DEFF Research Database (Denmark)

Søndergaard, Thomas; Dridi, Kim

1999-01-01

possible a novel class of optical microcavities, whereas line defects make possible a novel class of waveguides. In this paper we will analyze two-dimensional photonic crystal waveguides based on photonic crystals with rods arranged on a triangular and a square lattice using a plane-wave expansion method......In the recent years a new class of periodic high-index contrast dielectric structures, known as photonic bandgap structures, has been discovered. In these structures frequency intervals, known as photonic bandgaps, where propagation of electromagnetic waves is not allowed, exist due to the periodic...... dielectric function. This is analogous to semiconductors, where electronic bandgaps exist due to the periodic arrangement of atoms. As is also the case for semiconductor structures, photonic bandgap structures may become of even greater value when defects are introduced. In particular, point defects make...

Growth, structural, optical and surface analysis of piperazinium tartrate: A NLO single crystal

Science.gov (United States)

Gupta, Apurva; Raseel Rahman M., K.; Nair, Lekha

2018-05-01

Single crystal of piperazinium tartrate (PPZT) was grown by the slow evaporation solution growth technique at room temperature. Crystallinity of grown crystal was examined by powder X-ray diffraction. High transparency and wide band gap were observed in the UV-Visible spectroscopic studies. Intense and broad emissions were observed in the blue region, as that is indicated by photoluminescence spectroscopy. The quality of the grown PPZT single crystals were analyzed by the etching studies using the water as the etchant.

Terahertz spectroscopic analysis of crystal orientation in polymers

Science.gov (United States)

Azeyanagi, Chisato; Kaneko, Takuya; Ohki, Yoshimichi

2018-05-01

Terahertz time-domain spectroscopy (THz-TDS) is attracting keen attention as a new spectroscopic tool for characterizing various materials. In this research, the possibility of analyzing the crystal orientation in a crystalline polymer by THz-TDS is investigated by measuring angle-resolved THz absorption spectra for sheets of poly(ethylene terephthalate), poly(ethylene naphthalate), and poly(phenylene sulfide). The resultant angle dependence of the absorption intensity of each polymer is similar to that of the crystal orientation examined using pole figures of X-ray diffraction. More specifically, THz-TDS can indicate the alignment of molecules in polymers.

Tunable double-channel filter based on two-dimensional ferroelectric photonic crystals

International Nuclear Information System (INIS)

Jiang, Ping; Ding, Chengyuan; Hu, Xiaoyong; Gong, Qihuang

2007-01-01

A tunable double-channel filter is presented, which is based on a two-dimensional nonlinear ferroelectric photonic crystal made of cerium doped barium titanate. The filtering properties of the photonic crystal filter can be tuned by adjusting the defect structure or by a pump light. The influences of the structure disorders caused by the perturbations in the radius or the position of air holes on the filtering properties are also analyzed

Tunable double-channel filter based on two-dimensional ferroelectric photonic crystals

Energy Technology Data Exchange (ETDEWEB)

Jiang, Ping [State Key Laboratory for Mesoscopic Physics, Department of Physics, Peking University, Beijing 100871 (China); Ding, Chengyuan [State Key Laboratory for Mesoscopic Physics, Department of Physics, Peking University, Beijing 100871 (China); Hu, Xiaoyong [State Key Laboratory for Mesoscopic Physics, Department of Physics, Peking University, Beijing 100871 (China)]. E-mail: xiaoyonghu@pku.edu.cn; Gong, Qihuang [State Key Laboratory for Mesoscopic Physics, Department of Physics, Peking University, Beijing 100871 (China)]. E-mail: qhgong@pku.edu.cn

2007-04-02

A tunable double-channel filter is presented, which is based on a two-dimensional nonlinear ferroelectric photonic crystal made of cerium doped barium titanate. The filtering properties of the photonic crystal filter can be tuned by adjusting the defect structure or by a pump light. The influences of the structure disorders caused by the perturbations in the radius or the position of air holes on the filtering properties are also analyzed.

The finite-size effect in thin liquid crystal systems

Science.gov (United States)

Śliwa, I.

2018-05-01

Effects of surface ordering in liquid crystal systems confined between cell plates are of great theoretical and experimental interest. Liquid crystals introduced in thin cells are known to be strongly stabilized and ordered by cell plates. We introduce a new theoretical method for analyzing the effect of surfaces on local molecular ordering in thin liquid crystal systems with planar geometry of the smectic layers. Our results show that, due to the interplay between pair long-range intermolecular forces and nonlocal, relatively short-range, surface interactions, both orientational and translational orders of liquid crystal molecules across confining cells are very complex. In particular, it is demonstrated that the SmA, nematic, and isotropic phases can coexist. The phase transitions from SmA to nematic, as well as from nematic to isotropic phases, occur not simultaneously in the whole volume of the system but begin to appear locally in some regions of the LC sample. Phase transition temperatures are demonstrated to be strongly affected by the thickness of the LC system. The dependence of the corresponding shifts of phase transition temperatures on the layer number is shown to exhibit a power law character. This new type of scaling behavior is concerned with the coexistence of local phases in finite systems. The influence of a specific character of interactions of molecules with surfaces and other molecules on values of the resulting critical exponents is also analyzed.

Effect of amaranth on dielectric, thermal and optical properties of KDP single crystal

Energy Technology Data Exchange (ETDEWEB)

Chandran, Senthilkumar; Paulraj, Rajesh, E-mail: rajeshp@ssn.edu.in; Ramasamy, P.

2017-01-15

Bulk single crystals of pure and amaranth doped KDP were grown using point seed technique. Effect of amaranth doping on KDP crystals was analyzed using powder XRD, thermal analysis (TG/DTA), dielectric, photoconductivity and etching studies. The phase purity and crystallinity of pure and dye doped crystals were confirmed by powder X-ray diffraction analysis. It is observed from TG-DTA analysis that the decomposition point decreased while doping with amaranth. Dielectric constant and loss increases with increasing temperatures. The photoconductivity decreases with the increase of amaranth concentration. - Highlights: • Pure and amaranth doped KDP crystals grown from point seed technique. • The addition of amaranth changes the decomposition points of dye doped KDP crystals. • Dielectric constant is increased. • It shows positive photoconductivity.

Matrix metalloproteinase-20 mediates dental enamel biomineralization by preventing protein occlusion inside apatite crystals.

Science.gov (United States)

Prajapati, Saumya; Tao, Jinhui; Ruan, Qichao; De Yoreo, James J; Moradian-Oldak, Janet

2016-01-01

Reconstruction of enamel-like materials is a central topic of research in dentistry and material sciences. The importance of precise proteolytic mechanisms in amelogenesis to form a hard tissue with more than 95% mineral content has already been reported. A mutation in the Matrix Metalloproteinase-20 (MMP-20) gene results in hypomineralized enamel that is thin, disorganized and breaks from the underlying dentin. We hypothesized that the absence of MMP-20 during amelogenesis results in the occlusion of amelogenin in the enamel hydroxyapatite crystals. We used spectroscopy and electron microscopy techniques to qualitatively and quantitatively analyze occluded proteins within the isolated enamel crystals from MMP-20 null and Wild type (WT) mice. Our results showed that the isolated enamel crystals of MMP-20 null mice had more organic macromolecules occluded inside them than enamel crystals from the WT. The crystal lattice arrangements of MMP-20 null enamel crystals analyzed by High Resolution Transmission Electron Microscopy (HRTEM) were found to be significantly different from those of the WT. Raman studies indicated that the crystallinity of the MMP-20 null enamel crystals was lower than that of the WT. In conclusion, we present a novel functional mechanism of MMP-20, specifically prevention of unwanted organic material entrapped in the forming enamel crystals, which occurs as the result of precise amelogenin cleavage. MMP-20 action guides the growth morphology of the forming hydroxyapatite crystals and enhances their crystallinity. Elucidating such molecular mechanisms can be applied in the design of novel biomaterials for future clinical applications in dental restoration or repair. Copyright © 2015 Elsevier Ltd. All rights reserved.

Measuring the x-ray resolving power of bent potassium acid phthalate diffraction crystals

International Nuclear Information System (INIS)

Haugh, M. J.; Jacoby, K. D.; Wu, M.; Loisel, G. P.

2014-01-01

This report presents the results from measuring the X-ray resolving power of a curved potassium acid phthalate (KAP(001)) spectrometer crystal using two independent methods. It is part of a continuing effort to measure the fundamental diffraction properties of bent crystals that are used to study various characteristics of high temperature plasmas. Bent crystals like KAP(001) do not usually have the same diffraction properties as corresponding flat crystals. Models that do exist to calculate the effect of bending the crystal on the diffraction properties have simplifying assumptions and their accuracy limits have not been adequately determined. The type of crystals that we measured is being used in a spectrometer on the Z machine at Sandia National Laboratories in Albuquerque, New Mexico. The first technique for measuring the crystal resolving power measures the X-ray spectral line width of the characteristic lines from several metal anodes. The second method uses a diode X-ray source and a double crystal diffractometer arrangement to measure the reflectivity curve of the KAP(001) crystal. The width of that curve is inversely proportional to the crystal resolving power. The measurement results are analyzed and discussed

Measuring the x-ray resolving power of bent potassium acid phthalate diffraction crystals

Energy Technology Data Exchange (ETDEWEB)

Haugh, M. J., E-mail: haughmj@nv.doe.gov; Jacoby, K. D. [National Security Technologies, LLC, Livermore, California 94550 (United States); Wu, M.; Loisel, G. P. [Sandia National Laboratories, Albuquerque, New Mexico 87123 (United States)

2014-11-15

This report presents the results from measuring the X-ray resolving power of a curved potassium acid phthalate (KAP(001)) spectrometer crystal using two independent methods. It is part of a continuing effort to measure the fundamental diffraction properties of bent crystals that are used to study various characteristics of high temperature plasmas. Bent crystals like KAP(001) do not usually have the same diffraction properties as corresponding flat crystals. Models that do exist to calculate the effect of bending the crystal on the diffraction properties have simplifying assumptions and their accuracy limits have not been adequately determined. The type of crystals that we measured is being used in a spectrometer on the Z machine at Sandia National Laboratories in Albuquerque, New Mexico. The first technique for measuring the crystal resolving power measures the X-ray spectral line width of the characteristic lines from several metal anodes. The second method uses a diode X-ray source and a double crystal diffractometer arrangement to measure the reflectivity curve of the KAP(001) crystal. The width of that curve is inversely proportional to the crystal resolving power. The measurement results are analyzed and discussed.

Principles of crystallization, and methods of single crystal growth

International Nuclear Information System (INIS)

Chacra, T.

2010-01-01

Most of single crystals (monocrystals), have distinguished optical, electrical, or magnetic properties, which make from single crystals, key elements in most of technical modern devices, as they may be used as lenses, Prisms, or grating sin optical devises, or Filters in X-Ray and spectrographic devices, or conductors and semiconductors in electronic, and computer industries. Furthermore, Single crystals are used in transducer devices. Moreover, they are indispensable elements in Laser and Maser emission technology.Crystal Growth Technology (CGT), has started, and developed in the international Universities and scientific institutions, aiming at some of single crystals, which may have significant properties and industrial applications, that can attract the attention of international crystal growth centers, to adopt the industrial production and marketing of such crystals. Unfortunately, Arab universities generally, and Syrian universities specifically, do not give even the minimum interest, to this field of Science.The purpose of this work is to attract the attention of Crystallographers, Physicists and Chemists in the Arab universities and research centers to the importance of crystal growth, and to work on, in the first stage to establish simple, uncomplicated laboratories for the growth of single crystal. Such laboratories can be supplied with equipment, which are partly available or can be manufactured in the local market. Many references (Articles, Papers, Diagrams, etc..) has been studied, to conclude the most important theoretical principles of Phase transitions,especially of crystallization. The conclusions of this study, are summarized in three Principles; Thermodynamic-, Morphologic-, and Kinetic-Principles. The study is completed by a brief description of the main single crystal growth methods with sketches, of equipment used in each method, which can be considered as primary designs for the equipment, of a new crystal growth laboratory. (author)

Local layer structure of smectic liquid crystals by X-ray micro-diffraction

CERN Document Server

Takanishi, Y

2003-01-01

The local layer structure of smectic liquid crystal has been measured using time-resolved synchrotron X-ray micro-diffraction. Typical layer disorders observed in surface stabilized (anti-) ferroelectric liquid crystals, i.e. a stripe texture, a needed-like defect and a zigzag defect, are directly analyzed. The detailed analysis slows that the surface anchoring force due to the interaction between the liquid crystal molecule and the alignment thin film plays an important role to realize both the static and dynamic local layer structures. The layer structure of the circular domain observed in the liquid crystal of bent-shaped molecules found to depend on the applied electric field though the optical micrograph shows little difference. The frustrated, double and single layer structures of the bent-shaped molecule liquid crystal are determined depending on the terminal alkyl chain length. (author)

The directional propagation characteristics of elastic wave in two-dimensional thin plate phononic crystals

International Nuclear Information System (INIS)

Wen Jihong; Yu, Dianlong; Wang Gang; Zhao Honggang; Liu Yaozong; Wen Xisen

2007-01-01

The directional propagation characteristics of elastic wave during pass bands in two-dimensional thin plate phononic crystals are analyzed by using the lumped-mass method to yield the phase constant surface. The directions and regions of wave propagation in phononic crystals for certain frequencies during pass bands are predicted with the iso-frequency contour lines of the phase constant surface, which are then validated with the harmonic responses of a finite two-dimensional thin plate phononic crystals with 16x16 unit cells. These results are useful for controlling the wave propagation in the pass bands of phononic crystals

Remote Sensing of Crystal Shapes in Ice Clouds

Science.gov (United States)

van Diedenhoven, Bastiaan

2017-01-01

Ice crystals in clouds exist in a virtually limitless variation of geometries. The most basic shapes of ice crystals are columnar or plate-like hexagonal prisms with aspect ratios determined by relative humidity and temperature. However, crystals in ice clouds generally display more complex structures owing to aggregation, riming and growth histories through varying temperature and humidity regimes. Crystal shape is relevant for cloud evolution as it affects microphysical properties such as fall speeds and aggregation efficiency. Furthermore, the scattering properties of ice crystals are affected by their general shape, as well as by microscopic features such as surface roughness, impurities and internal structure. To improve the representation of ice clouds in climate models, increased understanding of the global variation of crystal shape and how it relates to, e.g., location, cloud temperature and atmospheric state is crucial. Here, the remote sensing of ice crystal macroscale and microscale structure from airborne and space-based lidar depolarization observations and multi-directional measurements of total and polarized reflectances is reviewed. In addition, a brief overview is given of in situ and laboratory observations of ice crystal shape as well as the optical properties of ice crystals that serve as foundations for the remote sensing approaches. Lidar depolarization is generally found to increase with increasing cloud height and to vary with latitude. Although this variation is generally linked to the variation of ice crystal shape, the interpretation of the depolarization remains largely qualitative and more research is needed before quantitative conclusions about ice shape can be deduced. The angular variation of total and polarized reflectances of ice clouds has been analyzed by numerous studies in order to infer information about ice crystal shapes from them. From these studies it is apparent that pristine crystals with smooth surfaces are generally

Study on light output and energy resolution of PbWO4 crystal

International Nuclear Information System (INIS)

Su Guanghui; Yue Ke; Sun Zhiyu

2010-01-01

The light output and energy resolution of PbWO 4 crystal are studied with different wrapping materials and methods. The Wrapping condition was optimized by analyzing the experimental data to gain higher light output and better energy resolution. A GEANT4-based package has been developed to simulate the corresponding features of PbWO 4 crystal, and the simulation results are consistent with the experimental data. (authors)

Effect of method of crystallization on the IV-III and IV-II polymorphic transitions of ammonium nitrate.

Science.gov (United States)

Vargeese, Anuj A; Joshi, Satyawati S; Krishnamurthy, V N

2009-01-15

A study has been undertaken on the effect of crystallization method on the IVIII transition of ammonium nitrate (AN). AN is crystallized in three different ways, viz. recrystallization, evaporative crystallization and melt crystallization. When the samples were crystallized from saturated aqueous solution, ideal crystals were formed, which behaved differently from the crystals formed from the other methods. The DTA examination of the crystals showed that the crystals have different transition behaviour. The moisture uptake of the samples determined were found to have influenced by the mode of crystallization. The samples were further analyzed by powder X-ray diffraction (XRD) and scanning electron microscopy (SEM). The present study showed that the parameters like thermal history, number of previous transformations and moisture content have a very negligible influence on the IVIII transition of AN as compared to the method of crystallization.

Spent oxide fuel regeneration by crystallization in molybdate melts

International Nuclear Information System (INIS)

Ustinov, O.A.; Sukhanov, L.P.; Yakunin, S.A.

2006-01-01

Paper describes a procedure to regenerate spent oxide fuel by its crystallization in molybdate melts. Paper presents the process procedures to regenerate spent fuel of both fast and thermal neutron reactors. One analyzes the advantages of the elaborated procedure [ru

Crystal structure and packing analysis of nitrofurantoin N,N-dimethylformamide solvate

Energy Technology Data Exchange (ETDEWEB)

Cvetkovski, A., E-mail: aleksandar.cvetkovski@ugd.edu.mk [University Goce Delcev, Faculty of Medical Sciences, Krste Misirkov bb (Macedonia, The Former Yugoslav Republic of); Ferretti, V. [University of Ferrara, Department of Chemical and Pharmaceutical Sciences (Italy)

2016-07-15

The N, N′-dimethylformamide solvated crystal of the drug nitrofurantoin has been prepared and analysed by single-crystal X-ray diffraction. The two co-crystallized molecules, in the 1 : 1 stoichiometric ratio, are linked by a medium/strong N–H···O hydrogen bond (N···O is 2.759 (3) Å) and a weaker C–H···O interaction to form isolated supramolecular adducts, that in turn are packed into the lattice framework mainly through C–H···O hydrogen bonds. Two-dimensional fingerprint plots of Hirshfeld surfaces are used to visualize, analyze and compare intermolecular interactions found in the title compound and in similar structures.

Ferromagnetism in CVT grown tungsten diselenide single crystals with nickel doping

Science.gov (United States)

Habib, Muhammad; Muhammad, Zahir; Khan, Rashid; Wu, Chuanqiang; Rehman, Zia ur; Zhou, Yu; Liu, Hengjie; Song, Li

2018-03-01

Two dimensional (2D) single crystal layered transition materials have had extensive consideration owing to their interesting magnetic properties, originating from their lattices and strong spin-orbit coupling, which make them of vital importance for spintronic applications. Herein, we present synthesis of a highly crystalline tungsten diselenide layered single crystal grown by chemical vapor transport technique and doped with nickel (Ni) to tailor its magnetic properties. The pristine WSe2 single crystal and Ni-doped crystal were characterized and analyzed for magnetic properties using both experimental and computational aspects. It was found that the magnetic behavior of the 2D layered WSe2 crystal changed from diamagnetic to ferromagnetic after Ni-doping at all tested temperatures. Moreover, first principle density functional theory (DFT) calculations further confirmed the origin of room temperature ferromagnetism of Ni-doped WSe2, where the d-orbitals of the doped Ni atom promoted the spin moment and thus largely contributed to the magnetism change in the 2D layered material.

Sensitivity of triple-crystal X-ray diffractometers to microdefects in silicon

International Nuclear Information System (INIS)

Molodkin, V.B.; Olikhovskii, S.I.; Len, E.G.; Kislovskii, E.N.; Kladko, V.P.; Reshetnyk, O.V.; Vladimirova, T.P.; Sheludchenko, B.V.

2009-01-01

The dynamical theory, which describes both diffraction profiles and reciprocal space maps measured from imperfect crystals with account for instrumental factors of triple-crystal diffractometer (TCD), has been developed for adequate quantitative characterization of microdefects. Analytical expressions for coherent and diffuse scattering (DS) intensities measured by TCD in the Bragg diffraction geometry have been derived by using the generalized statistical dynamical theory of X-ray scattering in real single crystals with randomly distributed defects. The DS intensity distributions from single crystals containing clusters and dislocation loops have been described by explicit analytical expressions. Particularly, these expressions take into account anisotropy of displacement fields around defects with discrete orientations. Characteristics of microdefect structures in silicon single crystals grown by Czochralsky- and float-zone methods have been determined by analyzing the measured TCD profiles and reciprocal space maps. The sensitivities of reciprocal space maps and diffraction profiles to defect characteristics have been compared. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

Pyrochlore as nuclear waste form. Actinide uptake and chemical stability

International Nuclear Information System (INIS)

Finkeldei, Sarah Charlotte

2015-01-01

Radioactive waste is generated by many different technical and scientific applications. For the past decades, different waste disposal strategies have been considered. Several questions on the waste disposal strategy remain unanswered, particularly regarding the long-term radiotoxicity of minor actinides (Am, Cm, Np), plutonium and uranium. These radionuclides mainly arise from high level nuclear waste (HLW), specific waste streams or dismantled nuclear weapons. Although many countries have opted for the direct disposal of spent fuel, from a scientific and technical point of view it is imperative to pursue alternative waste management strategies. Apart from the vitrification, especially for trivalent actinides and Pu, crystalline ceramic waste forms are considered. In contrast to glasses, crystalline waste forms, which are chemically and physically highly stable, allow the retention of radionuclides on well-defined lattice positions within the crystal structure. Besides polyphase ceramics such as SYNROC, single phase ceramics are considered as tailor made host phases to embed a specific radionuclide or a specific group. Among oxidic single phase ceramics pyrochlores are known to have a high potential for this application. This work examines ZrO 2 based pyrochlores as potential nuclear waste forms, which are known to show a high aqueous stability and a high tolerance towards radiation damage. This work contributes to (1) understand the phase stability field of pyrochlore and consequences of non-stoichiometry which leads to pyrochlores with mixed cationic sites. Mixed cationic occupancies are likely to occur in actinide-bearing pyrochlores. (2) The structural uptake of radionuclides themselves was studied. (3) The chemical stability and the effect of phase transition from pyrochlore to defect fluorite were probed. This phase transition is important, as it is the result of radiation damage in ZrO 2 based pyrochlores. ZrO 2 - Nd 2 O 3 pellets with pyrochlore and defect

Advanced crystal growth techniques for thallium bromide semiconductor radiation detectors

Science.gov (United States)

Datta, Amlan; Becla, Piotr; Guguschev, Christo; Motakef, Shariar

2018-02-01

Thallium Bromide (TlBr) is a promising room-temperature radiation detector candidate with excellent charge transport properties. Currently, Travelling Molten Zone (TMZ) technique is widely used for growth of semiconductor-grade TlBr crystals. However, there are several challenges associated with this type of crystal growth process including lower yield, high thermal stress, and low crystal uniformity. To overcome these shortcomings of the current technique, several different crystal growth techniques have been implemented in this study. These include: Vertical Bridgman (VB), Physical Vapor Transport (PVT), Edge-defined Film-fed Growth (EFG), and Czochralski Growth (Cz). Techniques based on melt pulling (EFG and Cz) were demonstrated for the first time for semiconductor grade TlBr material. The viability of each process along with the associated challenges for TlBr growth has been discussed. The purity of the TlBr crystals along with its crystalline and electronic properties were analyzed and correlated with the growth techniques. Uncorrected 662 keV energy resolutions around 2% were obtained from 5 mm x 5 mm x 10 mm TlBr devices with virtual Frisch-grid configuration.

Solvent-Induced Crystallization in Poly(Ethylene Terephthalate) during Mass Transport

Science.gov (United States)

Ouyang, Hao

2001-03-01

The solvent transport in poly(ethylene terephthalate) (PET) and related phase transformation were investigated. The data of mass sorption were analyzed according to Harmon¡¦s model for Case I (Fickian), Case II (swelling) and anomalous transport. This transport process in PET is accompanied by the induced crystallization of the original amorphous state. The transformation was studied by wide angle x-ray scattering (WAXS), small angle x-ray scattering (SAXS), Differential Scanning Calorimeter (DSC), density gradient column, and Fourier Transform Infra-Red (FTIR). During this process, the matrix is under a compressive strain that causes different kinetic path of crystallization as compared to that by thermal annealing. This state of strain will assist the development of the solvent-induced crystallization. It also can be explained in terms of the principle of Le Chatelier if the local equilibrium is assumed. The model regarding the crystallization was proposed in terms of the study of long period L, the crystal thickness lc and the thickness of amorphous layer la, obtained from the linear correlation function and interface distribution function.

Co-doped sodium chloride crystals exposed to different irradiation temperature

Energy Technology Data Exchange (ETDEWEB)

Ortiz-Morales, A. [Unidad Profesional Interdisciplinaria de Ingenieria y Tecnologias Avanzadas, IPN, Av. Instituto Politecnico Nacional 2580, Col. La Laguna Ticoman, 07340 Mexico D.F., Mexico and Unidad de Irradiacion y Segurid (Mexico); Cruz-Zaragoza, E.; Furetta, C. [Unidad de Irradiacion y Seguridad Radiologica, Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, A.P. 70-543, 04510 Mexico D.F (Mexico); Kitis, G. [Nuclear Physics Laboratory, Aristotle University of Thessaloniki, Thessaloniki 54124 (Greece); Flores J, C.; Hernandez A, J.; Murrieta S, H. [Instituto de Fisica, Universidad Nacional Autonoma de Mexico, AP. 20-364, 01000 Mexico D.F (Mexico)

2013-07-03

Monocrystals of NaCl:XCl{sub 2}:MnCl{sub 2}(X = Ca,Cd) at four different concentrations have been analyzed. The crystals were exposed to different irradiation temperature, such as at room temperature (RT), solid water (SW), dry ice (DI) and liquid nitrogen (LN). The samples were irradiated with photon from {sup 60}Co irradiators. The co-doped sodium chloride crystals show a complex structure of glow curves that can be related to different distribution of traps. The linearity response was analyzed with the F(D) index. The F(D) value was less than unity indicating a sub-linear response was obtained from the TL response on the function of the dose. The glow curves were deconvoluted by using the CGCD program based on the first, second and general order kinetics.

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)

Preliminary X-ray analysis of twinned crystals of sarcosine dimethylglycine methyltransferase from Halorhodospira halochoris

International Nuclear Information System (INIS)

Kallio, Juha Pekka; Jänis, Janne; Nyyssölä, Antti; Hakulinen, Nina; Rouvinen, Juha

2009-01-01

The crystallization and preliminary X-ray diffraction analysis of sarcosine dimethylglycine methyltransferase from H. halochoris is reported. Sarcosine dimethylglycine methyltransferase (EC 2.1.1.157) is an enzyme from the extremely halophilic anaerobic bacterium Halorhodospira halochoris. This enzyme catalyzes the twofold methylation of sarcosine to betaine, with S-adenosylmethionine (AdoMet) as the methyl-group donor. This study presents the crystallization and preliminary X-ray analysis of recombinant sarcosine dimethylglycine methyltransferase produced in Escherichia coli. Mass spectroscopy was used to determine the purity and homogeneity of the enzyme material. Two different crystal forms, which initially appeared to be hexagonal and tetragonal, were obtained. However, on analyzing the diffraction data it was discovered that both crystal forms were pseudo-merohedrally twinned. The true crystal systems were monoclinic and orthorhombic. The monoclinic crystal diffracted to a maximum of 2.15 Å resolution and the orthorhombic crystal diffracted to 1.8 Å resolution

Conformity Check of Thickness to the Crystal Plate λ/4(λ/2

Directory of Open Access Journals (Sweden)

Alexander Syuy

2013-01-01

Full Text Available This work demonstrates that if crystal plates are identical in thickness in the direction of radiation, the intensity at the output of the polarizer-crystal-crystal-analyzer system equals zero. This means that it is possible to control the difference in thickness between the reference crystal plate (e.g., plates of λ/4 or λ/2 and the examined plate by the intensity of the transmitted radiation. Further, it shows that if nonmonochromatic radiation is used, then the spectrum of radiation at the output is determined by the relative orientation of the optical elements and their sizes. The paper gives the theoretical model for calculations of profile of spectra for the number of important cases of orientation of elements.

Borassus flabellifer L. Brown Crystal Sugar Processing (The Study of Sap pH and Fine Crystal Sucrose (FCS Concentration

Directory of Open Access Journals (Sweden)

Azmi Alvian Gabriel

2017-04-01

Full Text Available Nira as one of the Borassus flabellirer L. products has a similar characteristics with other agricultural commodities that are easily damaged. This research aims to know the influence of nira’s pH and concentration addition of FCS against characteristics of the brown crystal sugar. Research compiled by using Randomized Block Design (RBD which comprises two factors consisting of 3 levels with 3 times replication. The first factor is pH or degree of nira acidity which consists of 3 level (6.50 (± 0.10; 7.00 (± 0.10; 7.50 (± 0.10 and the second factor is addition of FCS concentration consisting of 3 level (5%; 10%; 15% (b/v. The analyzes used include analysis of organoleptic (color, aroma, taste as well as physical and chemical analyzes (sucrose content, moisture content, ash content, reducing sugar content, insoluble solid content. The analysis results of raw material showed that the pH of palm sap affect the amount of total sugar because the fermentation process. The addition of 10% FCS provides organoleptic results with the best reception at the brown crystal sugar. Physical and chemical test results of products with the best treatment showed that the levels of sucrose in brown crystal sugar was 81.483% in accordance with the minimum requirements specified Indonesian Industrial Standard (IIS, water content of 6.32% dry basis , ash content of 1.78%, reducing sugar amounted to 5.18%, and insoluble solid content of 0.089%.

All-optical image processing with nonlinear liquid crystals

Science.gov (United States)

Hong, Kuan-Lun

Liquid crystals are fascinating materials because of several advantages such as large optical birefringence, dielectric anisotropic, and easily compatible to most kinds of materials. Compared to the electro-optical properties of liquid crystals widely applied in displays and switching application, transparency through most parts of wavelengths also makes liquid crystals a better candidate for all-optical processing. The fast response time of liquid crystals resulting from multiple nonlinear effects, such as thermal and density effect can even make real-time processing realized. In addition, blue phase liquid crystals with spontaneously self-assembled three dimensional cubic structures attracted academic attention. In my dissertation, I will divide the whole contents into six parts. In Chapter 1, a brief introduction of liquid crystals is presented, including the current progress and the classification of liquid crystals. Anisotropy and laser induced director axis reorientation is presented in Chapter 2. In Chapter 3, I will solve the electrostrictive coupled equation and analyze the laser induced thermal and density effect in both static and dynamic ways. Furthermore, a dynamic simulation of laser induced density fluctuation is proposed by applying finite element method. In Chapter 4, two image processing setups are presented. One is the intensity inversion experiment in which intensity dependent phase modulation is the mechanism. The other is the wavelength conversion experiment in which I can read the invisible image with a visible probe beam. Both experiments are accompanied with simulations to realize the matching between the theories and practical experiment results. In Chapter 5, optical properties of blue phase liquid crystals will be introduced and discussed. The results of grating diffractions and thermal refractive index gradient are presented in this chapter. In addition, fiber arrays imaging and switching with BPLCs will be included in this chapter

Polarized spectroscopic properties of Nd3+-doped KGd(WO4)2 single crystal

International Nuclear Information System (INIS)

Chen Yujin; Lin Yanfu; Gong Xinghong; Tan Qiguang; Zhuang Jian; Luo Zundu; Huang Yidong

2007-01-01

The polarized absorption spectra, infrared fluorescence spectra, upconversion visible fluorescence spectra, and fluorescence decay curve of orientated Nd 3+ :KGd(WO 4 ) 2 crystal were measured at room-temperature. Some important spectroscopic parameters were investigated in detail in the framework of the Judd-Ofelt theory and the Fuchtbauer-Ladenburg formula. The effect of the crystal structure on the spectroscopic properties of the Nd 3+ ions was analyzed. The relation among the spectroscopic parameters and the laser performances of the Nd 3+ :KGd(WO 4 ) 2 crystal was discussed

The Crystal Hotel: A Microfluidic Approach to Biomimetic Crystallization.

Science.gov (United States)

Gong, Xiuqing; Wang, Yun-Wei; Ihli, Johannes; Kim, Yi-Yeoun; Li, Shunbo; Walshaw, Richard; Chen, Li; Meldrum, Fiona C

2015-12-02

A "crystal hotel" microfluidic device that allows crystal growth in confined volumes to be studied in situ is used to produce large calcite single crystals with predefined crystallographic orientation, microstructure, and shape by control of the detailed physical environment, flow, and surface chemistry. This general approach can be extended to form technologically important, nanopatterned single crystals. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

On dewetting of thin films due to crystallization (crystallization dewetting).

Science.gov (United States)

Habibi, Mehran; Rahimzadeh, Amin; Eslamian, Morteza

2016-03-01

Drying and crystallization of a thin liquid film of an ionic or a similar solution can cause dewetting in the resulting thin solid film. This paper aims at investigating this type of dewetting, herein termed "crystallization dewetting", using PbI2 dissolved in organic solvents as the model solution. PbI2 solid films are usually used in X-ray detection and lead halide perovskite solar cells. In this work, PbI2 films are fabricated using spin coating and the effect of major parameters influencing the crystallization dewetting, including the type of the solvent, solution concentration, drying temperature, spin speed, as well as imposed vibration on the substrate are studied on dewetting, surface profile and coverage, using confocal scanning laser microscopy. Simplified hydrodynamic governing equations of crystallization in thin films are presented and using a mathematical representation of the process, it is phenomenologically demonstrated that crystallization dewetting occurs due to the absorption and consumption of the solution surrounding a growing crystal. Among the results, it is found that a low spin speed (high thickness), a high solution concentration and a low drying temperature promote crystal growth, and therefore crystallization dewetting. It is also shown that imposed vibration on the substrate can affect the crystal size and crystallization dewetting.

The Morse code effect: A crystal-crystal transformation observed in gel-grown lead (II) oxalate crystals

Science.gov (United States)

Lisgarten, J. N.; Marks, J. A.

2018-05-01

This paper reports on an unusual crystal-crystal transformation phenomenon, which we have called the Morse Code Effect, based on the change in appearance of lead(II) oxalate crystals grown in agarose gels.

Effect of synthesis conditions on the nanopowder properties of Ce{sub 0.9}Zr{sub 0.1}O{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Zimicz, M.G.; Fabregas, I.O.; Lamas, D.G. [CINSO (Centro de Investigaciones en Solidos) CONICET-CITEFA J.B. de La Salle 4397, 1603 Villa Martelli, Pcia. de Buenos Aires (Argentina); Larrondo, S.A., E-mail: susana@di.fcen.uba.ar [Laboratorio de Procesos Cataliticos, Departamento de Ingenieria Quimica, Facultad de Ingenieria, Universidad de Buenos Aires, Pabellon de Industrias, Ciudad Universitaria, 1428 Buenos Aires (Argentina)

2011-06-15

Graphical abstract: . The synthesis of nanocrystalline Ce{sub 0.9}Zr{sub 0.1}O{sub 2} powders via the gel-combustion method, using different fuels, and following either stoichiometric or non-stoichiometric pH-controlled routes is investigated. Research highlights: {yields} All samples exhibited the fluorite-type crystal structure, nanometric average crystallite size and negligible carbon content. {yields} Synthesis conditions strongly affect the average crystallite size, the degree of agglomeration, the specific surface area and the pore volume. {yields} Our results indicate that, by controlling the synthesis conditions it is possible to obtain solids with custom-made morphological properties. -- Abstract: In this work, the synthesis of nanocrystalline Ce{sub 0.9}Zr{sub 0.1}O{sub 2} powders via the gel-combustion method, using different fuels, and following either stoichiometric or non-stoichiometric pH-controlled routes is investigated. The objective is to evaluate the effect of synthesis conditions on the textural and morphological properties, and the crystal structure of the synthesized materials. The solids were characterized by nitrogen physisorption, Scanning Electron Microscopy (SEM), X-ray powder diffraction (XPD), and Carbon-Hydrogen-Nitrogen Elemental Analysis (CHN). All the powders exhibited nanometric crystallite size, fluorite-type structure and negligible carbon content. Synthesis conditions strongly affect the average crystallite size, the degree of agglomeration, the specific surface area and the pore volume. Our results indicate that, by controlling the synthesis conditions it is possible to obtain solids with custom-made morphological properties.

Observation of higher-order diffraction features in self-assembled photonic crystals

International Nuclear Information System (INIS)

Nair, Rajesh V.; Vijaya, R.

2007-01-01

The optical response of high quality three dimensionally (3D) ordered photonic crystals is analyzed in the high energy region. By tuning the reflectance with the angle of incidence of light, the peaks in the reflection spectrum that correspond to the first, second, and third order photonic stop bands and the van Hove singular point in the photon density of states are clearly distinguished. The high energy features have been observed for photonic crystals made from colloids of different diameters, having different index contrast and fabricated by two different self-assembly routes. The observation of van Hove singularity at near-normal incidence of light and its presence even in low index-contrast photonic crystals provide conclusive evidence that these high energy features are due to the perfect periodic ordering present in the photonic crystals with less defects and disorder

crystal

Science.gov (United States)

Yu, Yi; Huang, Yisheng; Zhang, Lizhen; Lin, Zhoubin; Sun, Shijia; Wang, Guofu

2014-07-01

A Nd3+:Na2La4(WO4)7 crystal with dimensions of ϕ 17 × 30 mm3 was grown by the Czochralski method. The thermal expansion coefficients of Nd3+:Na2La4(WO4)7 crystal are 1.32 × 10-5 K-1 along c-axis and 1.23 × 10-5 K-1 along a-axis, respectively. The spectroscopic characteristics of Nd3+:Na2La4(WO4)7 crystal were investigated. The Judd-Ofelt theory was applied to calculate the spectral parameters. The absorption cross sections at 805 nm are 2.17 × 10-20 cm2 with a full width at half maximum (FWHM) of 15 nm for π-polarization, and 2.29 × 10-20 cm2 with a FWHM of 14 nm for σ-polarization. The emission cross sections are 3.19 × 10-20 cm2 for σ-polarization and 2.67 × 10-20 cm2 for π-polarization at 1,064 nm. The fluorescence quantum efficiency is 67 %. The quasi-cw laser of Nd3+:Na2La4(WO4)7 crystal was performed. The maximum output power is 80 mW. The slope efficiency is 7.12 %. The results suggest Nd3+:Na2La4(WO4)7 crystal as a promising laser crystal fit for laser diode pumping.

Crystallization Process of Protein Rv0731c from Mycobacterium Tuberculosis for a Successful Atomic Resolution Crystal Structure at 1.2 Angstrom

Energy Technology Data Exchange (ETDEWEB)

Zhu, Liang Cong

2009-06-08

Proteins are bio-macromolecules consisting of basic 20 amino acids and have distinct three-dimensional folds. They are essential parts of organisms and participate in every process within cells. Proteins are crucial for human life, and each protein within the body has a specific function, such as antibodies, contractile proteins, enzymes, hormonal proteins, structural proteins, storage proteins and transport proteins. Determining three-dimensional structure of a protein can help researchers discover the remarkable protein folding, binding site, conformation and etc, in order to understand well of protein interaction and aid for possible drug design. The research on protein structure by X-ray protein crystallography carried by Li-Wei Hung's research group in the Physical Bioscience Division at Lawrence Berkeley National Laboratory (LBNL) is focusing on protein crystallography. The research in this lab is in the process of from crystallizing the proteins to determining the three dimensional crystal structures of proteins. Most protein targets are selected from Mycobacterium Tuberculosis. TB (Tuberculosis) is a possible fatal infectious disease. By studying TB target protein can help discover antituberculer drugs, and find treatment for TB. The high-throughput mode of crystallization, crystal harvesting, crystal screening and data collection are applied to the research pipeline (Figure 1). The X-ray diffraction data by protein crystals can be processed and analyzed to result in a three dimensional representation of electron density, producing a detailed model of protein structure. Rv0731c is a conserved hypothetical protein with unknown function from Mycobacterium Tuberculosis. This paper is going to report the crystallization process and brief structure information of Rv0731c.

The pushing gate in a planar Coulomb crystal using a flat-top laser beam

International Nuclear Information System (INIS)

Kitaoka, M.; Buluta, I.M.; Hasegawa, S.

2009-01-01

We propose a pushing gate for entangling two ions in a planar Coulomb crystal in the view of realizing large-scale quantum simulations. A tightly focused laser is irradiated from the direction perpendicular to the crystal plane and its spatial intensity profile generates a state-dependent force. We analyze the error sources in this scheme and obtain low infidelity.

Lithium niobate bulk crystallization promoted by CO2 laser radiation

Science.gov (United States)

Ferreira, N. M.; Costa, F. M.; Nogueira, R. N.; Graça, M. P. F.

2012-09-01

The crystallization induced by laser radiation is a very promising technique to promote glass/ceramic transformation, being already used to produce crystalline patterns on glass surfaces. In this work, a SiO2-Li2O-Nb2O5 glass, prepared by the sol-gel route, was submitted to CO2 laser radiation and conventional heat-treatments in order to induce the LiNbO3 crystallization. The structure and morphology of the samples prepared by both routes was analyzed as a function of exposure time, radiation power and heat-treatment temperatures by XRD, Raman spectroscopy and SEM. The results reveal a correlation between the crystallization degree of LiNbO3 particles and glass matrix with the heat treatment type and experimental parameters. An heat-treatment at 650 °C/4 h was necessary to induce crystallization in heat treatments samples while 4 W/500 s was enough for laser radiation ones, corresponding a reduction time processing of ˜14 000 s.

Physicochemical and crystal structure analyses of the antidiabetic agent troglitazone.

Science.gov (United States)

Kobayashi, Katsuhiro; Fukuhara, Hiroshi; Hata, Tadashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji

2003-07-01

The antidiabetic agent troglitazone has two asymmetric carbons located at the chroman ring and the thiazolidine ring and is produced as a mixture of equal amounts of four optical isomers, 2R-5S, 2S-5R, 2R-5R, and 2S-5S. The crystalline powdered drug substance consists of two diastereomer pairs, 2R-5R/2S-5S and 2R-5S/2S-5R. There are many types of crystals obtained from various crystallization conditions. The X-ray structure analysis and the physicochemical analyses of troglitazone were performed. The solvated crystals of the 2R-5R/2S-5S pair were crystallized from several solutions: methanol, ethanol, acetonitrile, and dichloromethane. The ratio of solvent and troglitazone was 1 : 2 (L1/2-form). The monohydrate crystals were obtained from aqueous acetone solution (L1-form). On the other hand, only an anhydrate crystal of the 2R-5S/2S-5R pair was crystallized from various solutions (H0-form). The dihydrous mixed crystal (MA2-form) was obtained from a mixture of the two diastereomer pairs of 2R-5R/2S-5S and 2R-5S/2S-5R in equal amounts by the slow evaporation of aqueous acetone solution. The crystal structure of the MA2-form is similar to the H0-form. When the MA2 crystal was kept under low humidity, it was converted into the dehydrated form (MA0-form) with retention of the single crystal form. The structure of the MA0-form is isomorphous to the H0-form. The MA2-form was converted into the MA0-form and vice versa with retention of the single crystal under low and high humidity, respectively. The crystallization and storage conditions of the drug substances were successfully analyzed.

Understanding Crystal Populations; Looking Towards 3D Quantitative Analysis

Science.gov (United States)

Jerram, D. A.; Morgan, D. J.

2010-12-01

In order to understand volcanic systems, the potential record held within crystal populations needs to be revealed. It is becoming increasingly clear, however, that the crystal populations that arrive at the surface in volcanic eruptions are commonly mixtures of crystals, which may be representative of simple crystallization, recycling of crystals and incorporation of alien crystals. If we can quantify the true 3D population within a sample then we will be able to separate crystals with different histories and begin to interrogate the true and complex plumbing within the volcanic system. Modeling crystal populations is one area where we can investigate the best methodologies to use when dealing with sections through 3D populations. By producing known 3D shapes and sizes with virtual textures and looking at the statistics of shape and size when such populations are sectioned, we are able to gain confidence about what our 2D information is telling us about the population. We can also use this approach to test the size of population we need to analyze. 3D imaging through serial sectioning or x-ray CT, provides a complete 3D quantification of a rocks texture. Individual phases can be identified and in principle the true 3D statistics of the population can be interrogated. In practice we need to develop strategies (as with 2D-3D transformations), that enable a true characterization of the 3D data, and an understanding of the errors and pitfalls that exist. Ultimately, the reproduction of true 3D textures and the wealth of information they hold, is now within our reach.

Hollow-Core Photonic Crystal Fibers for Surface-Enhanced Raman Scattering Probes

Directory of Open Access Journals (Sweden)

Xuan Yang

2011-01-01

Full Text Available Photonic crystal fiber (PCF sensors based on surface-enhanced Raman scattering (SERS have become increasingly attractive in chemical and biological detections due to the molecular specificity, high sensitivity, and flexibility. In this paper, we review the development of PCF SERS sensors with emphasis on our recent work on SERS sensors utilizing hollow-core photonic crystal fibers (HCPCFs. Specifically, we discuss and compare various HCPCF SERS sensors, including the liquid-filled HCPCF and liquid-core photonic crystal fibers (LCPCFs. We experimentally demonstrate and theoretically analyze the high sensitivity of the HCPCF SERS sensors. Various molecules including Rhodamine B, Rhodamine 6G, human insulin, and tryptophan have been tested to show the excellent performance of these fiber sensors.

Results on the Coherent Interaction of High Energy Electrons and Photons in Oriented Single Crystals

CERN Document Server

Apyan, A.; Badelek, B.; Ballestrero, S.; Biino, C.; Birol, I.; Cenci, P.; Connell, S.H.; Eichblatt, S.; Fonseca, T.; Freund, A.; Gorini, B.; Groess, R.; Ispirian, K.; Ketel, T.J.; Kononets, Yu.V.; Lopez, A.; Mangiarotti, A.; van Rens, B.; Sellschop, J.P.F.; Shieh, M.; Sona, P.; Strakhovenko, V.; Uggerhoj, E.; Uggerhj, Ulrik Ingerslev; Unel, G.; Velasco, M.; Vilakazi, Z.Z.; Wessely, O.; Kononets, Yu.V.

2005-01-01

The CERN-NA-59 experiment examined a wide range of electromagnetic processes for multi-GeV electrons and photons interacting with oriented single crystals. The various types of crystals and their orientations were used for producing photon beams and for converting and measuring their polarisation. The radiation emitted by 178 GeV unpolarised electrons incident on a 1.5 cm thick Si crystal oriented in the Coherent Bremsstrahlung (CB) and the String-of-Strings (SOS) modes was used to obtain multi-GeV linearly polarised photon beams. A new crystal polarimetry technique was established for measuring the linear polarisation of the photon beam. The polarimeter is based on the dependence of the Coherent Pair Production (CPP) cross section in oriented single crystals on the direction of the photon polarisation with respect to the crystal plane. Both a 1 mm thick single crystal of Germanium and a 4 mm thick multi-tile set of synthetic Diamond crystals were used as analyzers of the linear polarisation. A birefringence ...

Defect structure of yttria-stabilized zirconia and its influence on the ionic conductivity at elevated temperatures

DEFF Research Database (Denmark)

Goff, J.P.; Hayes, W.; Hull, S.

1999-01-01

The defect structure of cubic fluorite structured yttria-stabilized zirconia (ZrO2)(1-x)(Y2O3)(x) has been investigated over the composition range 0.100(3)less than or equal to x less than or equal to 0.241 (10) and temperatures T(K) up to 2780(10) K, using single-crystal specimens. Analysis of n......, we propose that the anomalous decrease in the ionic conductivity with increasing x is a consequence of the decreasing mobility of the isolated defects, possibly due to blockage by the increasing number of static aggregates....

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.

Structure of fault stackings of molecular layers X-M-X in CdI2 polytypic crystals

International Nuclear Information System (INIS)

Palosz, B.; Przedmojski, J.

1984-01-01

The arrangements of molecular layers I-Cd-I, which may be regarded as 'faulted' for CdI 2 polytypic crystals, are analyzed. Tentative classification of faults into those which are intermediate structure between the basic polytypes 2H and 4H and faults occurring between different blocks of pure structure 4 H is proposed. The connection between some growth parameters and the structure of faults in CdI 2 crystals grown from solutions is discussed. It is shown that the geometrical classification of stacking faults used for layered inorganic crystals is not appropriate for the description of the faults existing in polytypic crystals of MX 2 type. The effect of weak external electric and magnetic fields on the polytypic structure of CdI 2 is analyzed. The experiments performed for several hundred of polytypes of CdI 2 showed that the external fields may, in some conditions, affect the organization of the polytypic structure of crystals very strongly. In particular, it was found that the external fields may change the period of polytype cells and that the relative number of hexagonal and rhombohedral polytypes differ very strongly for crystals grown in the absence and in the presence of external electric and magnetic fields. (author)

A crystal barrel

CERN Multimedia

2007-01-01

The production of crystals for the barrel of the CMS electromagnetic calorimeter has been completed. This is an important milestone for the experiment, which received the last of its 62,960 crystals on 9 March. The members of the team responsible for the crystal acceptance testing at CERN display the last crystal for the CMS electromagnetic calorimeter barrel. From left to right: Igor Tarasov, Etiennette Auffray and Hervé Cornet.One of the six machines specially developed to measure 67 different parameters on each crystal. Igor Tarasov is seen inserting the last batch of crystals into the machine. The last of the 62,960 CMS barrel crystals arrived at CERN on 9 March. Once removed from its polystyrene protection, this delicate crystal, like thousands of its predecessors, will be inserted into the last of the 36 supermodules of the barrel electromagnetic calorimeter in a few days' time. This marks the end of an important chapter in an almost 15-year-long journey by the CMS crystals team, some of whose member...

Photoluminescence properties of boron doped InSe single crystals

International Nuclear Information System (INIS)

Ertap, H.; Bacıoğlu, A.; Karabulut, M.

2015-01-01

Undoped and boron doped InSe single crystals were grown by Bridgman–Stockbarger technique. The PL properties of undoped, 0.1% and 0.5% boron doped InSe single crystals have been investigated at different temperatures. PL measurements revealed four emission bands labeled as A, B, C and D in all the single crystals studied. These emission bands were associated with the radiative recombination of direct free excitons (n=1), impurity-band transitions, donor–acceptor recombinations and structural defect related band (impurity atoms, defects, defect complexes, impurity-vacancy complex etc.), respectively. The direct free exciton (A) bands of undoped, 0.1% and 0.5% boron doped InSe single crystals were observed at 1.337 eV, 1.335 eV and 1.330 eV in the PL spectra measured at 12 K, respectively. Energy positions and PL intensities of the emission bands varied with boron addition. The FWHM of direct free exciton band increases while the FWHM of the D emission band decreases with boron doping. Band gap energies of undoped and boron doped InSe single crystals were calculated from the PL measurements. It was found that the band gap energies of InSe single crystals decreased with increasing boron content. - Highlights: • PL spectra of InSe crystals have been studied as a function of temperature. • Four emission bands were observed in the PL spectra at low temperatures. • PL intensity and position of free exciton band vary with doping and temperature. • Temperature dependences of the bands observed in the PL spectra were analyzed