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.

Experimental study and numerical simulation of the plastic deformation of zirconium single crystals

International Nuclear Information System (INIS)

Lebon, C.

2011-01-01

There is only few experimental data in the literature on the zirconium single crystals and no constitutive laws for this single crystal material are provided. The goal of this work is then to create an experimental database like the Critical Resolved Shear Stress (CRSS) for the prismatic slip, the strain-hardening, the activation of the prismatic glide system and the activation volumes. We determine theses parameters from image correlation method. Then, we develop a new multi-scale approach using dislocations dynamics concept and finite element computations. Finally, a first single crystal constitutive law for the zirconium is proposed and a good agreement with the experimental data is obtained. (author) [fr

Isotopically pure single crystal epitaxial diamond films and their preparation

International Nuclear Information System (INIS)

Banholzer, W.F.; Anthony, T.R.; Williams, D.M.

1992-01-01

The present invention is directed to the production of single crystal diamond consisting of isotopically pure carbon-12 or carbon-13. In the present invention, isotopically pure single crystal diamond is grown on a single crystal substrate directly from isotopically pure carbon-12 or carbon-13. One method for forming isotopically pure single crystal diamond comprises the steps of placing in a reaction chamber a single substrate heated to an elevated diamond forming temperature. Another method for forming isotopically pure single crystal diamond comprises diffusing isotopically pure carbon-12 or carbon-13 through a metallic catalyst under high pressure to a region containing a single crystal substrate to form an isotopically pure single crystal diamond layer on said single crystal substrate

Bulk study of a DyNiAl single crystal

Czech Academy of Sciences Publication Activity Database

Prchal, J.; Andreev, Alexander V.; Javorský, P.; Honda, F.; Jurek, Karel

272-276, - (2004), e419-e420 ISSN 0304-8853 R&D Projects: GA ČR GA106/02/0943 Keywords : rare-earth * DyNiAl * magnetic anisotropy * single crystal Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.031, year: 2004

Confinement stabilises single crystal vaterite rods.

OpenAIRE

Schenk, AS; Albarracin, EJ; Kim, YY; Ihli, J; Meldrum, FC

2014-01-01

Single-crystals of vaterite, the least-stable anhydrous polymorph of CaCO3, are rare in biogenic and synthetic systems. We here describe the synthesis of high aspect ratio single crystal vaterite rods under additive-free conditions by precipitating CaCO3 within the cylindrical pores of track-etch membranes.

Non-destructive characterization of materials by single-sided NMR

International Nuclear Information System (INIS)

Goga, Nicolae-Octavian

2007-01-01

The experiments conducted in this work demonstrate the efficiency and sensitivity of single-sided NMR for investigating macromolecular materials on large time and length scales. Elastomers can readily be characterized by unilateral NMR of protons in terms of a variety of parameters, which correlate with the overall molecular mobility. In this way information about the cross-link density, state of cure and strain, the effects of aging and product heterogeneity can obtained. For these purposes, the NMR-MOUSE was used to optimize product development and to monitor product and production quality on-line. The sensor is also suitable for nondestructive probing of the mechanical deformation in cross-linked elastomers. A special magnet design that fits a stress-strain device has been used for complementary investigation of a series of different rubber stripes during mechanical testing. The profile NMR-MOUSE was found to be a unique tool for the characterization of changes induced by the UV irradiation in natural rubber. The aging profiles were interpreted for the first time based on a novel model in which the radiation absorption coefficient depends on the depth in the sample. (orig.)

Non-destructive characterization of materials by single-sided NMR

Energy Technology Data Exchange (ETDEWEB)

Goga, Nicolae-Octavian

2007-08-20

The experiments conducted in this work demonstrate the efficiency and sensitivity of single-sided NMR for investigating macromolecular materials on large time and length scales. Elastomers can readily be characterized by unilateral NMR of protons in terms of a variety of parameters, which correlate with the overall molecular mobility. In this way information about the cross-link density, state of cure and strain, the effects of aging and product heterogeneity can obtained. For these purposes, the NMR-MOUSE was used to optimize product development and to monitor product and production quality on-line. The sensor is also suitable for nondestructive probing of the mechanical deformation in cross-linked elastomers. A special magnet design that fits a stress-strain device has been used for complementary investigation of a series of different rubber stripes during mechanical testing. The profile NMR-MOUSE was found to be a unique tool for the characterization of changes induced by the UV irradiation in natural rubber. The aging profiles were interpreted for the first time based on a novel model in which the radiation absorption coefficient depends on the depth in the sample. (orig.)

Reshock and release response of aluminum single crystal

International Nuclear Information System (INIS)

Huang, H.; Asay, J. R.

2007-01-01

Reshock and release experiments were performed on single crystal aluminum along three orientations and on polycrystalline 1050 aluminum with 50 μm grain size at shock stresses of 13 and 21 GPa to investigate the mechanisms for previously observed quasielastic recompression behavior. Particle velocity profiles obtained during reshocking both single crystals and polycrystalline aluminum from initial shock stresses of 13-21 GPa show similar quasielastic recompression behavior. Quasielastic release response is also observed in all single crystals, but the magnitude of the effect is crystal orientation dependent, with [111] and [110] exhibiting more ideal elastic-plastic release for unloading from the shocked state than for the [100] orientation and polycrystalline aluminum. The quasielastic response of 1050 aluminum is intermediate to that of the [100] and [111] orientations. Comparison of the wave profiles obtained for both unloading and reloading of single crystals and polycrystalline 1050 aluminum from shocked states suggests that the observed quasielastic response of polycrystalline aluminum results from the averaging response of single crystals for shock propagation along different orientations, and that the response of 1050 aluminum with large grain boundaries is not significantly different from the results obtained on single crystal aluminum. The yield strength of the single crystals and 1050 aluminum is found to increase with shock stress, which is consistent with previous results [H. Huang and I. R. Asay, J. Appl. Phys. 98, 033524 (2005)

EPR and optical investigation of Mn2+ doped L-histidine-4-nitrophenolate 4-nitrophenol single crystal

Science.gov (United States)

Prabakaran, R.; Subramanian, P.

2018-04-01

Single crystals of L-histidine-4-nitrophenolate 4-nitrophenol[LHFNP] complex doped with Mn2+ were grown by the slow evaporation method at room temperature. The EPR spectrum reveals the entry of one Mn2+ ion in the lattice. The angular variation plot was drawn between the angles and the magnetic field position. The spin Hamiltonian parameters were obtained by EPR-NMR program. The D and E values show the rhombic field around the ion and is an interstitial one. The g value obtained here suggests that the Mn2+ ion experiences a strong field and there is a transfer of electron from the metal ion to the ligand atom. The optical absorption study shows various bands and are assigned to the transition from the ground state 6A1g(S). The Racah and crystal field parameters have also been evaluated and fitted to the experimental values. The Racah parameter shows the covalent bonding between the metal ion to the ligand.

TL and OSL studies on lithium borate single crystals doped with Cu and Ag

International Nuclear Information System (INIS)

Rawat, N.S.; Kulkarni, M.S.; Tyagi, M.; Ratna, P.; Mishra, D.R.; Singh, S.G.; Tiwari, B.; Soni, A.; Gadkari, S.C.; Gupta, S.K.

2012-01-01

Lithium borate (LBO) single crystals doped with Cu and Ag (0.25 mol% each) (Li 2 B 4 O 7 :Cu,Ag) are grown by the Czochralski method. The thermoluminescence readout on Li 2 B 4 O 7 :Cu,Ag crystals showed three glow peaks at∼375, 441 and 516 K for the heating rate of 1 K/s. The thermoluminescence sensitivity of the grown Li 2 B 4 O 7 :Cu,Ag single crystals is found to be 5 times TLD-100 and a linear dose response in the range 1 mGy to 1 kGy. The glow curve deconvolution reveals nearly first order kinetics for all the three peaks with trap depths 0.77, 1.25 and 1.34 eV respectively and corresponding frequency factors 1.6×10 9 , 1.3×10 13 and 6.8×10 11 s −1 . The continuous wave optically stimulated luminescence (CW-OSL) measurements were performed on the LBO:Cu,Ag single crystals using blue light stimulation. The traps responsible for the three thermoluminescence peaks in Li 2 B 4 O 7 :Cu,Ag are found to be OSL sensitive. The qualitative correlation between TL peaks and CW-OSL response is established. The photoluminescence studies show that in case of co-doping of Ag in LBO:Cu the emission at 370 nm in Cu states dominates over the transitions in Ag states implying doping of Ag plays a role as sensitizer when co-doped with Cu and increases overall emission. - Highlights: ► Growth of crack free single crystals of Li2B4O7 :Cu and Ag. ► Study of TL and OSL parameters for Li2B4O7 :Cu and Ag. ► Correlation of OSL with TL peaks. ► Optimization of OSL readout time with respect to residual TL.

Growth of single crystals of BaFe12O19 by solid state crystal growth

Science.gov (United States)

Fisher, John G.; Sun, Hengyang; Kook, Young-Geun; Kim, Joon-Seong; Le, Phan Gia

2016-10-01

Single crystals of BaFe12O19 are grown for the first time by solid state crystal growth. Seed crystals of BaFe12O19 are buried in BaFe12O19+1 wt% BaCO3 powder, which are then pressed into pellets containing the seed crystals. During sintering, single crystals of BaFe12O19 up to ∼130 μm thick in the c-axis direction grow on the seed crystals by consuming grains from the surrounding polycrystalline matrix. Scanning electron microscopy-energy dispersive spectroscopy analysis shows that the single crystal and the surrounding polycrystalline matrix have the same chemical composition. Micro-Raman scattering shows the single crystal to have the BaFe12O19 structure. The optimum growth temperature is found to be 1200 °C. The single crystal growth behavior is explained using the mixed control theory of grain growth.

"3"1P Nuclear Magnetic Resonance of Charge-Density-Wave Transition in a Single Crystal of RuP

International Nuclear Information System (INIS)

Fan Guo-Zhi; Luo Jian-Lin; Chen Rong-Yan; Wang Nan-Lin

2015-01-01

We perform "3"1P nuclear magnetic resonance (NMR) measurements on a single crystal of RuP. The anomalies in resistivity at about T_A = 270 K and T_B = 330 K indicate that two phase transitions occur. The line shape of "3"1P NMR spectra in different temperature ranges is attributed to the charge density distribution. The Knight shift and spin-lattice relaxation rate 1/T_1T are measured from 10 K to 300 K. At about T_A = 270 K, they both decrease abruptly with the temperature reduction, which reveals the gap-opening behavior. Well below T_A, they act like the case of normal metal. Charge-density-wave phase transition is proposed to interpret the transition occurring at about T_A. (paper)

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

KAUST Repository

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

2012-01-01

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

Synthesis, crystal growth, structural and physicochemical studies of novel binary organic complex: 4-chloroaniline–3-hydroxy-4-methoxybenzaldehyde

International Nuclear Information System (INIS)

Sharma, K.P.; Reddi, R.S.B.; Bhattacharya, S.; Rai, R.N.

2012-01-01

The solid-state reaction, which is solvent free and green synthesis, has been adopted to explore the novel compound. The phase diagram of 4-chloroaniline (CA) and 3-hydroxy-4-methoxybenzaldehyde (HMB) system shows the formation of a novel 1:1 molecular complex, and two eutectics on either sides of complex. Thermochemical studies of complex and eutectics have been carried out for various properties such as heat of fusion, entropy of fusion, Jackson's parameters, interfacial energy and excess thermodynamic functions. The formation of molecular complex was also studied by IR, NMR, elemental analysis and UV–Vis absorption spectra. The single crystal of molecular complex was grown and its XRD study confirms the formation of complex and identifies the crystal structure and atomic packing of crystal of complex. Transmission spectra of grown crystal of the complex show 70% transmittance efficiency with cut off wavelength 412 nm. The band gap and refractive index of the crystal of complex have also been studied. - Graphical abstarct: Exploiting phase diagram study and solvent free synthesis a novel compound was synthesized and its single crystal growth, atomic packing, energy band gap and refractive index were studied. Highlights: ► Novel organic complex was synthesized using Green or solvent free synthesis. ► Phase diagram study provided the information to identify the worthy composition of novel complex. ► The single crystal of the sufficient size was grown from the ethanol solution. ► Crystal analysis suggested that the covalent bond is formed between the two parent compounds. ► The transmittance of the crystal was found to be 70% and it was transparent from 412 to 850 nm.

TD-NMR studies on CuSO{sub 4} salt hydrates

Energy Technology Data Exchange (ETDEWEB)

Nestle, Nikolaus; Magin, Peter; Wengeler, Robert [BASF Aktiengesellschaft, Ludwigshafen (Germany); Kleinschmidt, Sebastian [Universitaet Magdeburg, FB Chemie (Germany)

2008-07-01

Despite the high concentration of paramagnetic copper ions, solid CuSO{sub 4} hydrates exhibit surprizingly narrow NMR signals. This is known since the late 1940s. Using TD-NMR methods established for polymer studies, the relaxation behaviour of CuSO{sub 4} preparations with different water content was studied at room temperature. For the water content of the pentahydrate and below, the NMR signal exhibits a pure solid-state-type magnetization decay behaviour. For slightly overstoichiometric moisture contents, a liquid-like signal is observed in addition to the solid signal. However, the relative amplitudes of the solid and the liquid signal do not mirror the stoichiometric composition of the pentahydrate and the excess water. Instead, the solid signal amplitude only accounts for four hydrate water molecules while the fifth water exhibits rapid exchange with the liquid phase and thus contributes to the liquid-type signal. This finding is in good agreement to results from investigations into the crystal structure of solid CuSO4 pentahydrate.

Inkjet printing of single-crystal films.

Science.gov (United States)

Minemawari, Hiromi; Yamada, Toshikazu; Matsui, Hiroyuki; Tsutsumi, Jun'ya; Haas, Simon; Chiba, Ryosuke; Kumai, Reiji; Hasegawa, Tatsuo

2011-07-13

The use of single crystals has been fundamental to the development of semiconductor microelectronics and solid-state science. Whether based on inorganic or organic materials, the devices that show the highest performance rely on single-crystal interfaces, with their nearly perfect translational symmetry and exceptionally high chemical purity. Attention has recently been focused on developing simple ways of producing electronic devices by means of printing technologies. 'Printed electronics' is being explored for the manufacture of large-area and flexible electronic devices by the patterned application of functional inks containing soluble or dispersed semiconducting materials. However, because of the strong self-organizing tendency of the deposited materials, the production of semiconducting thin films of high crystallinity (indispensable for realizing high carrier mobility) may be incompatible with conventional printing processes. Here we develop a method that combines the technique of antisolvent crystallization with inkjet printing to produce organic semiconducting thin films of high crystallinity. Specifically, we show that mixing fine droplets of an antisolvent and a solution of an active semiconducting component within a confined area on an amorphous substrate can trigger the controlled formation of exceptionally uniform single-crystal or polycrystalline thin films that grow at the liquid-air interfaces. Using this approach, we have printed single crystals of the organic semiconductor 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C(8)-BTBT) (ref. 15), yielding thin-film transistors with average carrier mobilities as high as 16.4 cm(2) V(-1) s(-1). This printing technique constitutes a major step towards the use of high-performance single-crystal semiconductor devices for large-area and flexible electronics applications.

Single corn kernel wide-line NMR oil analysis for breeding purpose

Energy Technology Data Exchange (ETDEWEB)

Wilmers, M C.C.; Rettori, C; Vargas, H; Barberis, G E [Universidade Estadual de Campinas (Brazil). Inst. de Fisica; da Silva, W J [Universidade Estadual de Campinas (Brazil). Inst. de Biologia

1978-12-01

The Wide-Line NMR technique was used to determine the oil content in single corn seeds. Using distinct radio frequency (RF) power, a systematic work was done in kernels with about 10% of moisture, and also in artificially dried seeds with approximated 5% of moisture. For nondried seeds NMR spectra showed clearly the presence of three resonances with different RF saturation factor. For dried seeds, the oil concentration determined by NMR was highly correlated (r = 0,997) with that determined by a gravimetric method. The highest discrepancy between the two methods was found to be about 1,3%. When relative measurements are required as in the case of single kernel for recurrent selection program, precision in the individual selected kernel will be about 2,5%. Applying this technique, a first cycle of recurrent selection using S/sub 1/ lines for low and high oil content was performed in an open pollinated variety. Gain from selection was 12.0 and 14.1% in the populations for high and low oil contents, respectively.

Crystal and molecular structure studies of (Z)-N-methyl-C-4-substituted phenyl nitrones by XRD, DFT, FTIR and NMR methods

Science.gov (United States)

Lasri, Jamal; Eltayeb, Naser Eltaher; Haukka, Matti; Alghamdi, Yousef

2017-01-01

(Z)-N-methyl-C-4-substituted phenyl nitrones -O+N(Me)=C(H)R (Z-2a R = 4-ClC6H4, Z-2b R = 4-NO2C6H4, Z-2c R = 4-CH3OC6H4) were synthesized and characterized by elemental analyses, FTIR, 1H, 13C and DEPT-135 NMR spectroscopy and also by single crystal X-ray diffraction (in the case of Z-2a and Z-2b). The geometries of the nitrone molecules Z-2a, Z-2b and Z-2c and their E-isomers; (E)-N-methyl-C-4-chlorophenyl nitrone E-2a, (E)-N-methyl-C-4-nitrophenyl nitrone E-2b and (E)-N-methyl-C-4-methoxyphenyl nitrone E-2c were optimized using density functional theory (DFT) at the B3LYP/6-311++G(d,p) level of theory. The theoretical vibrational frequencies obtained by DFT calculations are in good agreement with the experimental values. The electronics structures were described in terms of the distribution of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO). Gauge independent atomic orbital (GIAO) method was used to calculate the NMR spectra, the correlation between the calculated and experimental chemical shifts is mostly in the range of 0.94-0.97 for 1H, whereas, the correlation for 13C is 0.99. Thermodynamics study showed that the Z-isomer is favoured than E-isomer with energy barrier of 7.1, 7.2 and 7.1 kcal/mol for Z-2a, Z-2b and Z-2c, respectively. The abundance of the most stable species Z-isomers is equal to 99.99% for all three compounds at 298 K in gas phase.

Comprehensive studies on irradiated single-crystal diamond sensors

Energy Technology Data Exchange (ETDEWEB)

Stegler, Martin [DESY, Zeuthen (Germany)

2015-07-01

Single-crystal diamond sensors are used as part of the Beam and Radiation Instrumentation and Luminosity (BRIL) projects of the CMS experiment. Due to an upgrade of the Fast Beam Conditions Monitor (BCM1F) these diamond sensors are exchanged and the irradiated ones are now used for comprehensive studies. Current over voltage (IV), current over time (CT) and charge collection efficiency (CCE) measurements were performed for a better understanding of the radiation damage incurred during operation and to compensate in the future. The effect of illumination with various light sources on the charge collection efficiency was investigated and led to interesting results. Intensity and wavelength of the light were varied for deeper insight of polarization effects.

2-nitrobenzohydrazide as a potent urease inhibitor: synthesis, characterization and single crystal x-ray diffraction analysis

International Nuclear Information System (INIS)

Abbas, N.; Khan, I.; Hameed, S.; Batool, S.

2018-01-01

2-Nitrobenzohydrazide was efficiently synthesized in two steps by the esterification of 2-nitrobenzoic acid followed by the treatment with hydrazine hydrate in methanol. The structure of 2-nitrobenzohydrazide was established by modern spectro-analytical techniques including FTIR, 1H and 13C-NMR spectroscopy and unequivocally confirmed by single crystal X-ray diffraction data. 2-Nitrobenzohydrazide crystallized in orthorhombic space group P 21 21 21 with unit cell dimensions a = 4.9764(4) Å, b = 12.5280 (3) Å, c = 12.8512(1) Å, α = β = γ = 90°. A combination of N‒H…N and N‒H…O hydrogen bonds stabilized the crystal packing of 3. The synthesized compound 3 was assessed as urease inhibitor against Jack bean urease and the results revealed good inhibitory potency with an IC50 value of 4.25 ± 0.08 µM. This inhibition strength was 5-fold higher compared to the reference inhibitor thiourea (IC50 = 21.00 ± 0.11 µM). The molecular docking studies of the synthesized inhibitor 3 inside the active pocket of urease revealed several important binding interactions. (author)

Controlled growth of filamentary crystals and fabrication of single-crystal whisker probes

International Nuclear Information System (INIS)

Givargizov, E. I.

2006-01-01

The growth of filamentary crystals (whiskers) on a single-crystal substrate through the vapour-liquid-solid mechanism is described. The possibility of fabricating oriented systems of whiskers on the basis of this mechanism of crystal growth is noted. A phenomenon that is important for nanotechnology is noted: the existence of a critical diameter of whiskers, below which they are not formed. The phenomenon of radial periodic instability, which is characteristic of nanowhiskers, is described and the ways of its elimination are shown. The possibility of transforming whiskers into single-crystal tips and the growth of crystalline diamond particles at their apices are noted as important for practice. Possible applications of systems of whiskers and tips are described briefly. Particular attention is paid to the latest direction in whisker technology-fabrication of single-crystal whisker probes for atomic force microscopy

Single Crystal Filters for Neutron Spectrometry

International Nuclear Information System (INIS)

Habib, N.

2008-01-01

A study of neutron transmission properties trough a large single crystals specimens of Si, Ge, Pb, Bi and sapphire at 300 K and 80 K have been made for a wide range of neutron energies. The effectiveness of such filters is given by the ratio of the total cross-section of unwanted epithermal neutrons to that the desired thermal neutron beam and by the optimum choice of the crystal orientation, its mosaic spread, thickness and temperature.Our study indicates that sapphire is significantly more effective than the others for a wide range of neutron energies

Rhodopsin-lipid interactions studied by NMR.

Science.gov (United States)

Soubias, Olivier; Gawrisch, Klaus

2013-01-01

The biophysical properties of the lipid matrix are known to influence function of integral membrane proteins. We report on a sample preparation method for reconstitution of membrane proteins which uses porous anodic aluminum oxide (AAO) filters with 200-nm-wide pores of high density. The substrate permits formation of tubular, single membranes that line the inner surface of pores. One square centimeter of filter with a thickness of 60μm yields on the order of 500cm(2) of solid-supported single bilayer surface, sufficient for NMR studies. The tubular bilayers are free of detergent, fully hydrated, and accessible for ligands from one side of the membrane. The use of AAO filters greatly improves reproducibility of the reconstitution process such that the influence of protein on lipid order parameters can be studied with high resolution. As an example, results for the G protein-coupled receptor of class A, bovine rhodopsin, are shown. By (2)H NMR order parameter measurements, it is detected that rhodopsin insertion elastically deforms membranes near the protein. Furthermore, by (1)H saturation-transfer NMR under conditions of magic angle spinning, we demonstrate detection of preferences in interactions of rhodopsin with particular lipid species. It is assumed that function of integral membrane proteins depends on both protein-induced elastic deformations of the lipid matrix and preferences for interaction of the protein with particular lipid species in the first layer of lipids surrounding the protein. Copyright © 2013 Elsevier Inc. All rights reserved.

Photoresponsive Release from Azobenzene-Modified Single Cubic Crystal NaCl/Silica Particles

Directory of Open Access Journals (Sweden)

Xingmao Jiang

2011-01-01

Full Text Available Azobenzene ligands were uniformly anchored to the pore surfaces of nanoporous silica particles with single crystal NaCl using 4-(3-triethoxysilylpropylureidoazobenzene (TSUA. The functionalization delayed the release of NaCl significantly. The modified particles demonstrated a photocontrolled release by trans/cis isomerization of azobenzene moieties. The addition of amphiphilic solvents, propylene glycol (PG, propylene glycol propyl ether (PGPE, and dipropylene glycol propyl ether (DPGPE delayed the release in water, although the wetting behavior was improved and the delay is the most for the block molecules with the longest carbon chain. The speedup by UV irradiation suggests a strong dependence of diffusion on the switchable pore size. TGA, XRD, FTIR, and NMR techniques were used to characterize the structures.

Mesoscale martensitic transformation in single crystals of topological defects

Energy Technology Data Exchange (ETDEWEB)

Li, Xiao; Martínez-González, José A.; Hernández-Ortiz, Juan P.; Ramírez-Hernández, Abelardo; Zhou, Ye; Sadati, Monirosadat; Zhang, Rui; Nealey, Paul F.; de Pablo, Juan J.

2017-09-05

Liquid crystal blue phases (BPs) are highly ordered at two levels. Molecules exhibit orientational order at nanometer length scales, while chirality leads to ordered arrays of doubletwisted cylinders over micrometer scales. Past studies of polycrystalline BPs were challenged by grain boundaries between randomly oriented crystalline nanodomains. Here, the nucleation of BPs is controlled with considerable precision by relying on chemically nano-patterned surfaces, leading to macroscopic single-crystal BP specimens where the dynamics of meso-crystal formation can be directly observed. Theory and experiments show that transitions between two BPs having a different network structure proceed through local re-organization of the crystalline array, without diffusion of the double twisted cylinders. In solid crystals, martensitic transformations between crystal structures involve the concerted motion of a few atoms, without diffusion. The transformation between BPs, where crystal features arise in the sub-micron regime, is found to be martensitic in nature, with the diffusion-less feature associated to the collective behavior of the double twist cylinders. Single-crystal BPs are shown to offer fertile grounds for the study of directed crystal-nucleation and the controlled growth of soft matter.

Solid-state dynamics and single-crystal to single-crystal structural transformations in octakis(3-chloropropyl)octasilsesquioxane and octavinyloctasilsesquioxane.

Science.gov (United States)

Kowalewska, A; Nowacka, M; Włodarska, M; Zgardzińska, B; Zaleski, R; Oszajca, M; Krajenta, J; Kaźmierski, S

2017-10-18

Reactive octahedral silsesquioxanes of rod-like [octakis(3-chloropropyl)octasilsesquioxane - T 8 (CH 2 CH 2 CH 2 Cl) 8 ] and spherical [octavinyloctasilsesquioxane - T 8 (CH[double bond, length as m-dash]CH 2 ) 8 ] structure can undergo reversible thermally induced phase transitions in the solid state. The phase behaviour has been studied with differential scanning calorimetry (DSC, including temperature modulated DSC), X-ray diffraction, dielectric relaxation spectroscopy (DRS), and nuclear magnetic resonance spectroscopy in the solid state (SS NMR), as well as positron annihilation lifetime spectroscopy (PALS) and polarized optical microscopy (POM). The mechanisms involving fitting the molecules into most symmetrical crystal lattices vary for species of different structure. Thermal energy can be used to expand the crystal lattice leading to thermochromism in the case of T 8 (CH[double bond, length as m-dash]CH 2 ) 8 or conversely to an unusual negative thermal expansion of crystals of T 8 (CH 2 CH 2 CH 2 Cl) 8 that results in their self-actuation. The complex behaviour is reflected in unusual changes in the capacitance and fractional free volume of the material. These phenomena can be used for molecular design of advanced well-defined hybrid materials capable of reversible thermally induced structural transformations. The findings present a new perspective for POSS-based flexible metal-organic frameworks (MOF) of cooperative structural transformability via entropy-based translational sub-net sliding.

Single-Crystal Diamond Nanobeam Waveguide Optomechanics

Science.gov (United States)

Khanaliloo, Behzad; Jayakumar, Harishankar; Hryciw, Aaron C.; Lake, David P.; Kaviani, Hamidreza; Barclay, Paul E.

2015-10-01

Single-crystal diamond optomechanical devices have the potential to enable fundamental studies and technologies coupling mechanical vibrations to both light and electronic quantum systems. Here, we demonstrate a single-crystal diamond optomechanical system and show that it allows excitation of diamond mechanical resonances into self-oscillations with amplitude >200 nm . The resulting internal stress field is predicted to allow driving of electron spin transitions of diamond nitrogen-vacancy centers. The mechanical resonances have a quality factor >7 ×105 and can be tuned via nonlinear frequency renormalization, while the optomechanical interface has a 150 nm bandwidth and 9.5 fm /√{Hz } sensitivity. In combination, these features make this system a promising platform for interfacing light, nanomechanics, and electron spins.

Distributed Feedback Laser Based on Single Crystal Perovskite

Science.gov (United States)

Sun, Shang; Xiao, Shumin; Song, Qinghai

2017-06-01

We demonstrate a single crystal perovskite based, with grating-structured photoresist on top, highly polarized distributed feedback laser. A lower laser threshold than the Fabry-Perot mode lasers from the same single crystal CH3NH3PbBr3 microplate was obtained. Single crystal CH3NH3PbBr3 microplates was synthesized with one-step solution processed precipitation method. Once the photoresist on top of the microplate was patterned with electron beam, the device was realized. This one-step fabrication process utilized the advantage of single crystal to the greatest extend. The ultra-low defect density in single crystalline microplate offer an opportunity for lower threshold lasing action compare with poly-crystal perovskite films. In the experiment, the lasing action based on the distributed feedback grating design was found with lower threshold and higher intensity than the Fabry-Perot mode lasers supported by the flat facets of the same microplate.

Single ferromagnetic fluctuations in UCoGe revealed by 73Ge- and 59Co-NMR studies

Science.gov (United States)

Manago, Masahiro; Ishida, Kenji; Aoki, Dai

2018-02-01

73Ge and 59Co nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements have been performed on a 73Ge-enriched single-crystalline sample of the ferromagnetic superconductor UCoGe in the paramagnetic state. The 73Ge NQR parameters deduced from NQR and NMR are close to those of another isostructural ferromagnetic superconductor URhGe. The Knight shifts of the Ge and Co sites are well scaled to each other when the magnetic field is parallel to the b or c axis. The hyperfine coupling constants of Ge are estimated to be close to those of Co. The large difference of spin susceptibilities between the a and b axes could lead to the different response of the superconductivity and ferromagnetism with the field parallel to these directions. The temperature dependence of the nuclear spin-lattice relaxation rates 1 /T1 at the two sites is similar to each other above 5 K. These results indicate that the itinerant U-5 f electrons are responsible for the ferromagnetism in this compound, consistent with previous studies. The similarities and differences in the three ferromagnetic superconductors are discussed.

Determining the parity of a permutation using an experimental NMR qutrit

International Nuclear Information System (INIS)

Dogra, Shruti; Arvind,; Dorai, Kavita

2014-01-01

We present the NMR implementation of a recently proposed quantum algorithm to find the parity of a permutation. In the usual qubit model of quantum computation, it is widely believed that computational speedup requires the presence of entanglement and thus cannot be achieved by a single qubit. On the other hand, a qutrit is qualitatively more quantum than a qubit because of the existence of quantum contextuality and a single qutrit can be used for computing. We use the deuterium nucleus oriented in a liquid crystal as the experimental qutrit. This is the first experimental exploitation of a single qutrit to carry out a computational task. - Highlights: • NMR implementation of a quantum algorithm to determine the parity of a permutation. • Algorithm implemented on a single qutrit. • Computational speedup achieved without quantum entanglement. • Single qutrit shows quantum contextuality

Experimental and analytical parametric study of single-crystal unimorph beams for vibration energy harvesting.

Science.gov (United States)

Karami, M Amin; Bilgen, Onur; Inman, Daniel J; Friswell, Michael I

2011-07-01

This research presents an experimental and theoretical energy harvesting characterization of beam-like, uniform cross-section, unimorph structures employing single-crystal piezoelectrics. Different piezoelectric materials, substrates, and configurations are examined to identify the best design configuration for lightweight energy harvesting devices for low-power applications. Three types of piezoelectrics (singlecrystal PMN-PZT, polycrystalline PZT-5A, and PZT-5H-type monolithic ceramics) are evaluated in a unimorph cantilevered beam configuration. The devices have been excited by harmonic base acceleration. All of the experimental characteristics have been used to validate an exact electromechanical model of the harvester. The study shows the optimum choice of substrate material for single-crystal piezoelectric energy harvesting. Comparison of energy scavengers with stainless steel substrates reveals that single-crystal harvesters produce superior power compared with polycrystalline devices. To further optimize the power harvesting, we study the relation between the thickness of the substrate and the power output for different substrate materials. The relation between power and substrate thickness profoundly varies among different substrate materials. The variation is understood by examining the change of mechanical transmissibility and the variations of the coupling figure of merit of the harvesters with thickness ratio. The investigation identifies the optimal thickness of the substrate for different substrate materials. The study also shows that the densities of the substrates and their mechanical damping coefficients have significant effects on the power output.

Synthesis, crystal growth, structural and physicochemical studies of novel binary organic complex: 4-chloroaniline-3-hydroxy-4-methoxybenzaldehyde

Energy Technology Data Exchange (ETDEWEB)

Sharma, K.P.; Reddi, R.S.B.; Bhattacharya, S. [Department of Chemistry, Centre of Advance Study, Banaras Hindu University, Varanasi-221005 (India); Rai, R.N., E-mail: rn_rai@yahoo.co.in [Department of Chemistry, Centre of Advance Study, Banaras Hindu University, Varanasi-221005 (India)

2012-06-15

The solid-state reaction, which is solvent free and green synthesis, has been adopted to explore the novel compound. The phase diagram of 4-chloroaniline (CA) and 3-hydroxy-4-methoxybenzaldehyde (HMB) system shows the formation of a novel 1:1 molecular complex, and two eutectics on either sides of complex. Thermochemical studies of complex and eutectics have been carried out for various properties such as heat of fusion, entropy of fusion, Jackson's parameters, interfacial energy and excess thermodynamic functions. The formation of molecular complex was also studied by IR, NMR, elemental analysis and UV-Vis absorption spectra. The single crystal of molecular complex was grown and its XRD study confirms the formation of complex and identifies the crystal structure and atomic packing of crystal of complex. Transmission spectra of grown crystal of the complex show 70% transmittance efficiency with cut off wavelength 412 nm. The band gap and refractive index of the crystal of complex have also been studied. - Graphical abstarct: Exploiting phase diagram study and solvent free synthesis a novel compound was synthesized and its single crystal growth, atomic packing, energy band gap and refractive index were studied. Highlights: Black-Right-Pointing-Pointer Novel organic complex was synthesized using Green or solvent free synthesis. Black-Right-Pointing-Pointer Phase diagram study provided the information to identify the worthy composition of novel complex. Black-Right-Pointing-Pointer The single crystal of the sufficient size was grown from the ethanol solution. Black-Right-Pointing-Pointer Crystal analysis suggested that the covalent bond is formed between the two parent compounds. Black-Right-Pointing-Pointer The transmittance of the crystal was found to be 70% and it was transparent from 412 to 850 nm.

Experimental study of micro-milling mechanism and surface quality of a nickel-based single crystal superalloy

Energy Technology Data Exchange (ETDEWEB)

Gao, Qi; Gong, Yadong; Zhou, Yun Guang; Wen, Xue Long [School of Mechanical Engineering and Automation, Northeastern University, Shenyang (China)

2017-01-15

Micro-milling is widely used as a method for machining of micro-parts with high precision and efficiency. Taking the nickel-based single-crystal superalloy DD98 as the research object, the crystal characteristics of single-crystal materials were analysed, and the removal mechanism of single-crystal micro-milled parts was described. Based on molecular dynamics, a simulation model for nickel-based single-crystal superalloy DD98 micro-milling was established. Based on the response surface method of central composite design, the influences of spindle speed, feed rate, and milling depth on the surface roughness were examined, and a second-order regression model of the DD98 surface roughness was established. Using analysis of variance and the residuals of the model, a significant influence on surface roughness was found in the following order from large to small: Feed rate, spindle speed, and milling depth. Comparisons were conducted between the micro-milling experimental values and the predicted model values for different process parameters. The results show that the model fit is relatively high, and the adaptability is good. Scanning electron microscopy analysis of the micro-milling surfaces was performed to verify the slip and the removal mechanism of single-crystal materials. These results offer a theoretical reference and experimental basis for micro-milling of single-crystal materials.

Mechanism of the superior mechanical strength of nanometer-sized metal single crystals revealed

KAUST Repository

Afify, N. D.

2013-10-01

Clear understanding of the superior mechanical strength of nanometer-sized metal single crystals is required to derive advanced mechanical components retaining such superiority. Although high quality studies have been reported on nano-crystalline metals, the superiority of small single crystals has neither been fundamentally explained nor quantified to this date. Here we present a molecular dynamics study of aluminum single crystals in the size range from 4.1 nm to 40.5 nm. We show that the ultimate mechanical strength deteriorates exponentially as the single crystal size increases. The small crystals superiority is explained by their ability to continuously form vacancies and to recover them. © 2013 Published by Elsevier B.V.

Single Crystals of Organolead Halide Perovskites: Growth, Characterization, and Applications

KAUST Repository

Peng, Wei

2017-04-01

With the soaring advancement of organolead halide perovskite solar cells rising from a power conversion efficiency of merely 3% to more than 22% shortly in five years, researchers’ interests on this big material family have been greatly spurred. So far, both in-depth studies on the fundamental properties of organolead halide perovskites and their extended applications such as photodetectors, light emitting diodes, and lasing have been intensively reported. The great successes have been ascribed to various superior properties of organolead halide hybrid perovskites such as long carrier lifetimes, high carrier mobility, and solution-processable high quality thin films, as will be discussed in Chapter 1. Notably, most of these studies have been limited to their polycrystalline thin films. Single crystals, as a counter form of polycrystals, have no grain boundaries and higher crystallinity, and thus less defects. These characteristics gift single crystals with superior optical, electrical, and mechanical properties, which will be discussed in Chapter 2. For example, organolead halide perovskite single crystals have been reported with much longer carrier lifetimes and higher carrier mobilities, which are especially intriguing for optoelectronic applications. Besides their superior optoelectronic properties, organolead halide perovskites have shown large composition versatility, especially their organic components, which can be controlled to effectively adjust their crystal structures and further fundamental properties. Single crystals are an ideal platform for such composition-structure-property study since a uniform structure with homogeneous compositions and without distraction from grain boundaries as well as excess defects can provide unambiguously information of material properties. As a major part of work of this dissertation, explorative work on the composition-structure-property study of organic-cation-alloyed organolead halide perovskites using their single

Anisotropy of Single-Crystal Silicon in Nanometric Cutting.

Science.gov (United States)

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

2017-12-01

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

Dynamic NMR studies of restricted arene rotation in the chromiu tricarbonyl thiophene and selenophene complexes

Energy Technology Data Exchange (ETDEWEB)

Sanger, Michael J. [Iowa State Univ., Ames, IA (United States)

1994-05-27

This thesis contains the results of organometallic studies of thiophene and selenophene coordination in transition metal complexes. Chromium tricarbonyl complexes of thiophene, selenophene, and their alkyl-substituted derivatives were prepared and variable-temperature ¹³C NMR spectra of these complexes were recorded in dimethyl ether. Bandshape analyses of these spectra yielded activation parameters for restricted rotation of the thiophene and selenophene ligands in these complexes. Extended Hueckel molecular orbital calculations (EHMO) of the free thiophene and selenophene ligands and selected chromium tricarbonyl thiophene complexes were performed to better explain the activation barriers of these complexes. The structure of Cr(CO)₃(η⁵-2,5-dimethylthiophene) was established by a single crystal X-ray diffraction study.

121Sb-NMR study of filled skutterudite CeOs4Sb12

International Nuclear Information System (INIS)

Yogi, M.; Niki, H.; Mukuda, H.; Kitaoka, Y.; Sugawara, H.; Sato, H.

2007-01-01

121 Sb nuclear magnetic resonance (NMR) of filled skutterudite compound CeOs 4 Sb 12 has been carried out to investigate a spin fluctuation below T∼25K. In spite of a powdered sample, many sharp peaks, similar to a data for single crystal, were observed because of an orientation of the sample from the anisotropy of the magnetization. A numerical calculation well reproduces resonance fields for Sb(1) sites with H parallel V zz . The nuclear spin-lattice relaxation rate divided by temperature 1/T 1 T shows continuous decrease with increasing magnetic field, indicating a suppression of the spin fluctuation by the field

Single Crystals Grown Under Unconstrained Conditions

Science.gov (United States)

Sunagawa, Ichiro

Based on detailed investigations on morphology (evolution and variation in external forms), surface microtopography of crystal faces (spirals and etch figures), internal morphology (growth sectors, growth banding and associated impurity partitioning) and perfection (dislocations and other lattice defects) in single crystals, we can deduce how and by what mechanism the crystal grew and experienced fluctuation in growth parameters through its growth and post-growth history under unconstrained condition. The information is useful not only in finding appropriate way to growing highly perfect and homogeneous single crystals, but also in deciphering letters sent from the depth of the Earth and the Space. It is also useful in discriminating synthetic from natural gemstones. In this chapter, available methods to obtain molecular information are briefly summarized, and actual examples to demonstrate the importance of this type of investigations are selected from both natural minerals (diamond, quartz, hematite, corundum, beryl, phlogopite) and synthetic crystals (SiC, diamond, corundum, beryl).

Growth and characterization of new nonlinear optical 1-phenyl-3-(4-dimethylamino phenyl) prop-2-en-1-one (PDAC) single crystals

Science.gov (United States)

Ravindraswami, K.; Janardhana, K.; Gowda, Jayaprakash; Moolya, B. Narayana

2018-04-01

Non linear optical 1-phenyl-3-(4-dimethylamino phenyl) prop-2-en-1-one (PDAC) was synthesized using Claisen - Schmidt condensation method and studied for optical nonlinearity with an emphasis on structure-property relationship. The structural confirmation studies were carried out using 1H-NMR, FT-IR and single crystal XRD techniques. The nonlinear absorption and nonlinear refraction parameters in z-scan with nano second laser pulses were obtained by measuring the profile of propagated beam through the samples. The real and imaginary parts of third-order bulk susceptibility χ(3) were evaluated. Thermo gravimetric analysis is carried out to investigate the thermal stability.

NMR studies of organic liquids confined in mesoporous materials: (1) Pore size distribution and (2) Phase behaviour and dynamic studies in restricted geometry

International Nuclear Information System (INIS)

Foerland, Kjersti

2005-01-01

In the thesis NMR spectroscopy is used for studying liquids confined in various porous materials. In the first part, pore size distributions of mesoporous silicas and controlled pore glasses were determined by measuring the 1H NMR signal from the non-frozen fraction of the confined liquid as a function of temperature, using benzene, acetonitrile and HMDS as probe molecules. In the second part, the molecular dynamics of acetonitrile, hexamethyldisilane, cyclohexane and cyclopentane confined in mesoporous materials were studied as a function of temperature. 6 papers are included with titles: 1) Pore-size determination of mesoporous materials by 1H NMR spectroscopy. 2) Pore-size distribution in mesoporous materials as studied by 1H NMR. 3) Dynamic 1H and 2H NMR investigations of acetonitrile confined in porous silica. 4) NMR investigations of hexamethyldisilane confined in controlled pore glasses: Pore size distribution and molecular dynamics studies. 5) 1H and 2H NMR studies of cyclohexane nano crystals in controlled pore glasses. 6) 1H NMR relaxation and diffusion studies of cyclohexane and cyclopentane confined in MCM-41

NMR studies of organic liquids confined in mesoporous materials: (1) Pore size distribution and (2) Phase behaviour and dynamic studies in restricted geometry

Energy Technology Data Exchange (ETDEWEB)

Foerland, Kjersti

2005-07-01

In the thesis NMR spectroscopy is used for studying liquids confined in various porous materials. In the first part, pore size distributions of mesoporous silicas and controlled pore glasses were determined by measuring the 1H NMR signal from the non-frozen fraction of the confined liquid as a function of temperature, using benzene, acetonitrile and HMDS as probe molecules. In the second part, the molecular dynamics of acetonitrile, hexamethyldisilane, cyclohexane and cyclopentane confined in mesoporous materials were studied as a function of temperature. 6 papers are included with titles: 1) Pore-size determination of mesoporous materials by 1H NMR spectroscopy. 2) Pore-size distribution in mesoporous materials as studied by 1H NMR. 3) Dynamic 1H and 2H NMR investigations of acetonitrile confined in porous silica. 4) NMR investigations of hexamethyldisilane confined in controlled pore glasses: Pore size distribution and molecular dynamics studies. 5) 1H and 2H NMR studies of cyclohexane nano crystals in controlled pore glasses. 6) 1H NMR relaxation and diffusion studies of cyclohexane and cyclopentane confined in MCM-41.

Growth and characterization of 2-Methylimidazolium D-tartrate single crystal

Science.gov (United States)

Srinivasan, T. P.; Anandhi, S.; Gopalakrishnan, R.

2011-03-01

Single crystal of 2-Methylimidazolium D-tartrate (2MImdT; C8N2O6H12) has been grown by slow evaporation solution growth technique at room temperature using mixed solvents of ethanol and deionized water. Single crystal X-ray diffraction study confirms that 2-Methylimidazolium D-tartrate belongs to monoclinic crystal system with non-centrosymmetric space group P21. The Fourier transform infrared spectrum of 2-Methylimidazolium D-tartrate reveals the presence of methyl and carboxyl functional groups in the compound. The mechanical properties of 2MImdT crystal were studied. The theoretical factor group analysis predicts 168 optical modes in the title compound. The dielectric behavior of 2MImdT crystals was studied at different frequencies and temperatures. Decomposition and melting point of 2MImdT were found using thermal measurements. SHG behavior of the title compound was demonstrated using Q-switched Nd:YAG laser.

Single-Crystal Diamond Nanobeam Waveguide Optomechanics

Directory of Open Access Journals (Sweden)

Behzad Khanaliloo

2015-12-01

Full Text Available Single-crystal diamond optomechanical devices have the potential to enable fundamental studies and technologies coupling mechanical vibrations to both light and electronic quantum systems. Here, we demonstrate a single-crystal diamond optomechanical system and show that it allows excitation of diamond mechanical resonances into self-oscillations with amplitude >200  nm. The resulting internal stress field is predicted to allow driving of electron spin transitions of diamond nitrogen-vacancy centers. The mechanical resonances have a quality factor >7×10^{5} and can be tuned via nonlinear frequency renormalization, while the optomechanical interface has a 150 nm bandwidth and 9.5  fm/sqrt[Hz] sensitivity. In combination, these features make this system a promising platform for interfacing light, nanomechanics, and electron spins.

Laser generation in opal-like single-crystal and heterostructure photonic crystals

Science.gov (United States)

Kuchyanov, A. S.; Plekhanov, A. I.

2016-11-01

This study describes the laser generation of a 6Zh rhodamine in artificial opals representing single-crystal and heterostructure films. The spectral and angular properties of emission and the threshold characteristics of generation are investigated. In the case where the 6Zh rhodamine was in a bulk opal, the so-called random laser generation was observed. In contrast to this, the laser generation caused by a distributed feedback inside the structure of the photonic bandgap was observed in photonic-crystal opal films.

Single crystal growth of yttrium calcium oxy borate (YCOB) crystals by flux technique and their characterization. CP-3.5

International Nuclear Information System (INIS)

Arun Kumar, R.; Senthilkumar, M.; Dhanasekaran, R.

2007-01-01

Yttrium calcium oxy borate single crystals were grown by the flux technique for the first time. Polycrystalline YCOB material was prepared by solid state reaction method. Single crystals of YCOB were grown using boron-tri-oxide flux. Several transparent single crystals of dimensions 10 x 5 x 5 mm 3 were obtained. The grown crystals were characterized by powder XRD and UV- VIS-NIR studies. The results of powder XRD confirm the crystalline structure of YCOB. The UV- VIS-NIR transmission spectrum reveals that the crystal is highly transparent (above 75%) from ultraviolet (220 nm) to near IR regions enabling it as a suitable candidate for high power UV applications

Investigations on the nucleation kinetics of γ-glycine single crystal

International Nuclear Information System (INIS)

Yogambal, C.; Rajan Babu, D.; Ezhil Vizhi, R.

2014-01-01

Single crystals of γ-glycine were grown by slow evaporation technique. The crystalline system was confirmed by single crystal X-ray diffraction analysis. The optical absorption study has shown that the grown crystal possesses lower cut-off wavelength. Solubility and metastable zone width were estimated for different temperatures. The induction period of title compound was determined by varying the temperature and concentration. Nucleation parameters such as Gibbs volume free energy change (ΔG v ), interfacial tension (γ), critical free energy change of the nucleus (ΔG ⁎ ), nucleation rate (J), number of molecules in the critical nucleus (i ⁎ ) have been calculated for the aqueous solution grown γ-glycine single crystals. The second harmonic generation (SHG) of γ-glycine was confirmed by Q-switched Nd:YAG laser technique

NMR studies of Na+-anion association effects in polymer electrolytes

International Nuclear Information System (INIS)

Greenbaum, S.G.; Pak, Y.S.; Wintergill, M.C.; Fontanella, J.J.

1988-01-01

23 Na nuclear magnetic resonance (NMR) measurements on poly (propylene oxide) (PPO) and siloxane based polymer electrolytes containing various sodium salts at a single nominal concentration are reported. In addition, differential scanning calorimetry (DSC) and electrical conductivity studies were carried out on the PPO materials. The NMR-determined mobile Na + concentrations and DSC results provide evidence for ionic aggregation effects which, for some samples, result in salt precipitation at elevated temperatures. 23 Na chemical shifts observed in solid state NMR due to mobile Na + -anion interactions influence ionic transport as well as the number of available carriers. (author). 19 refs.; 7 figs

Effect of indium and antimony doping in SnS single crystals

Energy Technology Data Exchange (ETDEWEB)

Chaki, Sunil H., E-mail: sunilchaki@yahoo.co.in; Chaudhary, Mahesh D.; Deshpande, M.P.

2015-03-15

Highlights: • Single crystals growth of pure SnS, indium doped SnS and antimony doped SnS by direct vapour transport (DVT) technique. • Doping of In and Sb occurred in SnS single crystals by cation replacement. • The replacement mechanism ascertained by EDAX, XRD and substantiated by Raman spectra analysis. • Dopants concentration affects the optical energy bandgap. • Doping influences electrical transport properties. - Abstract: Single crystals of pure SnS, indium (In) doped SnS and antimony (Sb) doped SnS were grown by direct vapour transport (DVT) technique. Two doping concentrations of 5% and 15% each were employed for both In and Sb dopants. Thus in total five samples were studied viz., pure SnS (S1), 5% In doped SnS (S2), 15% In doped SnS (S3), 5% Sb doped SnS (S4) and 15% Sb doped SnS (S5). The grown single crystal samples were characterized by evaluating their surface microstructure, stoichiometric composition, crystal structure, Raman spectroscopy, optical and electrical transport properties using appropriate techniques. The d.c. electrical resistivity and thermoelectric power variations with temperature showed semiconducting and p-type nature of the as-grown single crystal samples. The room temperature Hall Effect measurements further substantiated the semiconducting and p-type nature of the as-grown single crystal samples. The obtained results are deliberated in detail.

X-ray dosimetry of TlGaSe2 single crystals

International Nuclear Information System (INIS)

Kerimova, E.M.; Mustafaeva, S.N.; Mamedbeili, S.D.; Jabarov, J.N.; Iskenderova, P.M.; Kazimov, S.B.

2002-01-01

TlGaSe 2 compound belongs to group of layered semiconductors of A 3 B 3 C 2 6 -type. Photoelectric and optical properties of TlGaSe 2 single crystals were investigated in detail. Influence of gamma-, electron and neutron radiation on photoelectric properties of TlGaSe 2 single crystals is investigated too. The present work deals with experimental results relative to X-ray dosimetric characteristics of TlGaSe 2 crystals at 300 K. X-ray conductivity and X-ray dosimetric characteristic measurements are carried out in low load resistance regime. The source of X-ray radiation is the installation of X-ray diffraction analysis (URS-55a) with the BCV-2(Cu). Intensity of X-ray radiation (E) is regulated by measurement with current variation in tube at each given value of X-ray radiation dose E (R/min) are measured by crystal dosimeter DRGZ-02. X-ray conductivity coefficients K σ characterising X-ray sensitivity of investigated crystals are determined as the relative change of conductivity under X-ray radiation a per dose. There have been determined values of characteristic coefficients of TlGaSe 2 single crystal X-ray conductivity at different values of accelerating voltage (V a ) on the tube and corresponding doses of X-ray radiation. Analysis of obtained data showed that X-ray conductivity coefficients K σ in studied crystals are regularly decreased (from 0.276 to 0.033) as with the rise of dose (E=0.75-78.0 R/min) as with the increase of values of V a on X-ray tube (V a =254-50 keV). One of the possible reasons of observed regularities is that X-ray conductivity in investigated crystals, especially at comparatively low V a is due predominantly to radiation of thin layer of crystal. In this case with the rise of radiation intensity there have been started to prevail the mechanism of surface quadratic recombination which leads to observed decrease of X-ray conductivity. With the rise of accelerating potential 'effective hardness' is increased, as a result of which there

Space growth studies of Ce-doped Bi12SiO20 single crystal

International Nuclear Information System (INIS)

Zhou, Y.F.; Wang, J.C.; Tang, L.A.; Pan, Z.L.; Chen, N.F.; Chen, W.C.; Huang, Y.Y.; He, W.

2004-01-01

Ce-doped Bi 12 SiO 20 (BSO) single crystal was grown on board of the Chinese Spacecraft-Shenzhou No. 3. A cylindrical crystal, 10 mm in diameter and 40 mm in length, was obtained. The morphology of crystals is significantly different for ground- and space-grown portions. The space- and ground-grown crystals have been characterized by Ce concentration distribution, X-ray rocking curve absorption spectrum and micro-Raman spectrum. The results show that the quality of Ce-doped BSO crystal grown in space is more homogeneous and more perfect than that of ground grown one

Growth of Ga2O3 single crystal

OpenAIRE

龍見, 雅美; 小池, 裕之; 市木, 伸明; Tatsumi, Masami; Koike, Hiroyuki; Ichiki, Nobuaki

2010-01-01

Single crystals of β-Ga2O3 for substrates of GaN LED were grown by Floating Zone(FZ) method. The transparent single crystals of 5-6 mm in diameter were reproducibly obtained by applying necking procedure and the preferential growth direction was . Many cracks were induced along the cleavage plane of (100) in slicing process, which is related to thermal stress and the growth direction. However, this preliminary growth experiments suggested that β-Ga2O3 single crystal is promising as a substrat...

Study on the Effects of Oligo chitosan and Bioliquifert on Two Rice Mutants, NMR 151 and NMR 152

International Nuclear Information System (INIS)

Shakinah Salleh; Faiz Ahmad; Sobri Hussein

2016-01-01

Nuclear Malaysia has successfully developed two new rice mutants namely NMR 151 and NMR 152. In addition, Nuclear Malaysia has also successfully developed Oligo chitosan and liquid bio fertilizer (Bioliquifert). Oligo chitosan acts as elicitor that has been proven to be very effective in controlling disease infections and improving yield productivity. Bioliquifert on the other hand is a mixture of microbes containing major nutrient-providing microorganisms. The objective of this study is to observe the effects of Oligo chitosan and Bioliquifert on rice mutants, NMR 151 and NMR 152. The treatment was applied on 14 day old seedlings of MR 219, NMR 151 and NMR 152 sowed in 20 cm pots containing silty clay from the paddy soil of Tanjung Karang, Selangor. The seedlings were then placed in the greenhouse at Nuclear Malaysia until it reaches 110 days old. Study was conducted in a Complete Randomized Design (CRD) with 3 replications was used and each replication consisted of three plants. All treatments received compound and single dressing fertilizer as recommended by National Rice Production Package except for Treatment 2 and 3, in which Treatment 2 received Oligo chitosan and Bioliquifert while Treatment 3 only received Bioliquifert. Results on plant height, number of tiller and plant fresh weight are not significantly different for all cultivar except for seed dry weight of NMR 152 and MR 219. (author)

Fluorine dynamics in BaF2 superionic conductors investigated by NMR

OpenAIRE

Gumann, Patryk

2008-01-01

In this work the dynamics of fluorine in solid-state electrolytes having BaF2-structure was investigated using three different NMR-methods: field cycling relaxometry, lineshape analysis, and static field gradient NMR. For this purpose a pure BaF2 crystal, as well as crystals doped with trivalent impurities (LaF3), were studied as a function of temperature. The main goal of this investigation was to utilize the structure information provided by neutron scattering and MAS NMR data in order to s...

Investigation of a polymer-dispersed liquid crystal system by NMR diffusometry and relaxometry

Energy Technology Data Exchange (ETDEWEB)

Tang, Mingxue

2013-02-26

Polymer-dispersed liquid crystals (PDLCs) are polymer composites containing a dispersion of liquid crystal droplets in polymer networks. PDLCs have attracted much attention due to their unique properties and potential usage. The properties of PDLCs depend on the degree of phase separation and the size of liquid crystal droplets. To investigate the structure will help us to better understand and optimize PDLCs.The main aim of this PhD thesis was to investigate PDLCs by NMR techniques. Diffusion constants and spin-lattice relaxation times in the laboratory (T{sub 1}) and rotating frame (T{sub 1{rho}}) were measured for PDLCs as well as precursor mixtures based on the trifunctional monomer trimethylolpropane triacrylate (TMPTA) and the commercial nematic mixture E7. The variation of the main dipolar splitting of {sup 1}H spectra with increasing temperature was analyzed to obtain the nematic-to-isotropic phase transition temperature and the nematic order parameter of E7 and, for comparison, the nematic liquid crystal 5CB.Diffusion constants in TMPTA/E7 mixtures, measured by pulsed-field gradient NMR, increase for both E7 and TMPTA as the mass fraction of E7 increases, due to the lower viscosity of E7. E7 in the PDLC diffuses more slowly than in the bulk because of the hindrance by the polymer matrix. T{sub 1} and T{sub 1{rho}} relaxation times in the liquid or liquid-crystalline phases of TMPTA and bulk E7 are higher than in the PDLC and the pure polymer, due to the lower mobility in the polymer samples. T{sub 1{rho}} in the PDLC is even shorter than in the pure polymer, indicating an anti-softening effect caused by E7 molecules. In bulk E7, the well-ordered rod-like molecules exhibit a unique H-C dipolar coupling, which leads to oscillations in the cross-polarization curve. However, in the PDLC, the anchoring effect at the boundary between the polymer and LC droplets disturbs the molecular order resulting in a smooth cross polarization curve.

Investigation of a polymer-dispersed liquid crystal system by NMR diffusometry and relaxometry

International Nuclear Information System (INIS)

Tang, Mingxue

2013-01-01

Polymer-dispersed liquid crystals (PDLCs) are polymer composites containing a dispersion of liquid crystal droplets in polymer networks. PDLCs have attracted much attention due to their unique properties and potential usage. The properties of PDLCs depend on the degree of phase separation and the size of liquid crystal droplets. To investigate the structure will help us to better understand and optimize PDLCs.The main aim of this PhD thesis was to investigate PDLCs by NMR techniques. Diffusion constants and spin-lattice relaxation times in the laboratory (T 1 ) and rotating frame (T 1ρ ) were measured for PDLCs as well as precursor mixtures based on the trifunctional monomer trimethylolpropane triacrylate (TMPTA) and the commercial nematic mixture E7. The variation of the main dipolar splitting of 1 H spectra with increasing temperature was analyzed to obtain the nematic-to-isotropic phase transition temperature and the nematic order parameter of E7 and, for comparison, the nematic liquid crystal 5CB.Diffusion constants in TMPTA/E7 mixtures, measured by pulsed-field gradient NMR, increase for both E7 and TMPTA as the mass fraction of E7 increases, due to the lower viscosity of E7. E7 in the PDLC diffuses more slowly than in the bulk because of the hindrance by the polymer matrix. T 1 and T 1ρ relaxation times in the liquid or liquid-crystalline phases of TMPTA and bulk E7 are higher than in the PDLC and the pure polymer, due to the lower mobility in the polymer samples. T 1ρ in the PDLC is even shorter than in the pure polymer, indicating an anti-softening effect caused by E7 molecules. In bulk E7, the well-ordered rod-like molecules exhibit a unique H-C dipolar coupling, which leads to oscillations in the cross-polarization curve. However, in the PDLC, the anchoring effect at the boundary between the polymer and LC droplets disturbs the molecular order resulting in a smooth cross polarization curve.

Scintillation of lead tungstate crystal studied with single-electron beam from KUFEL

Energy Technology Data Exchange (ETDEWEB)

Rizwan, Mohamad, E-mail: rizwan@nucl.kyushu-u.ac.jp; Uozumi, Yusuke; Matsuo, Kazuki [Department of Applied Quantum Physics and Nuclear Engineering, Kyushu University, Fukuoka (Japan); Ohgaki, Hideaki; Kii, Toshiteru; Zen, Heishun [Institute of Advanced Energy, Kyoto University, Gokasho, Uji, Kyoto (Japan); Tsamalaidze, Zviadi; Evtoukhovitch, Petr; Valentin, Samoilov [Joint Institute for Nuclear Research, JINR, Joliot-Curie Str.6, Dubna (Russian Federation)

2015-04-29

Lead tungstate (PWO) crystal has a very fast response, high atomic density and high radiation hardness. Therefore, they are suitable to be used for high-energy nuclear data measurements under high-background circumstances. Although a good electron-ion separation with a pulse shape analysis technique is essential, scintillation pulse shapes have not been observed with electron beams of a wide energy range. A single-electron beam technique has been developed at Kyoto University Free Electron Laser (KUFEL), and electron beams of 4-38 MeV are available. During the experiments, single electron beams bombarded a PWO crystal. By using oscilloscope we observed scintillation pulses of a PWO crystal coupled with a photomultiplier tube. Measured spectra were compared with the simulation code of EGS5 to analyze scattering effects. As the result, the pulse amplitudes show good linearity and the pulse shapes are almost constant in the observed energy range.

Damage threshold of lithium niobate crystal under single and multiple femtosecond laser pulses: theoretical and experimental study

International Nuclear Information System (INIS)

Meng, Qinglong; Zhang, Bin; Zhong, Sencheng; Zhu, Liguo

2016-01-01

The damage threshold of lithium niobate crystal under single and multiple femtosecond laser pulses has been studied theoretically and experimentally. Firstly, the model for the damage threshold prediction of crystal materials based on the improved rate equation has been proposed. Then, the experimental measure method of the damage threshold of crystal materials has been given in detail. On the basis, the variation of the damage threshold of lithium niobate crystal with the pulse duration has also been analyzed quantitatively. Finally, the damage threshold of lithium niobate crystal under multiple laser pulses has been measured and compared to the theoretical results. The results show that the transmittance of lithium niobate crystal is almost a constant when the laser pulse fluence is relative low, whereas it decreases linearly with the increase in the laser pulse fluence below the damage threshold. The damage threshold of lithium niobate crystal increases with the increase in the duration of the femtosecond laser pulse. And the damage threshold of lithium niobate crystal under multiple laser pulses is obviously lower than that irradiated by a single laser pulse. The theoretical data fall in good agreement with the experimental results. (orig.)

Comparative Study of Phase Transformation in Single-Crystal Germanium during Single and Cyclic Nanoindentation

Directory of Open Access Journals (Sweden)

Koji Kosai

2017-11-01

Full Text Available Single-crystal germanium is a semiconductor material which shows complicated phase transformation under high pressure. In this study, new insight into the phase transformation of diamond-cubic germanium (dc-Ge was attempted by controlled cyclic nanoindentation combined with Raman spectroscopic analysis. Phase transformation from dc-Ge to rhombohedral phase (r8-Ge was experimentally confirmed for both single and cyclic nanoindentation under high loading/unloading rates. However, compared to single indentation, double cyclic indentation with a low holding load between the cycles caused more frequent phase transformation events. Double cyclic indentation caused more stress in Ge than single indentation and increased the possibility of phase transformation. With increase in the holding load, the number of phase transformation events decreased and finally became less than that under single indentation. This phenomenon was possibly caused by defect nucleation and shear accumulation during the holding process, which were promoted by a high holding load. The defect nucleation suppressed the phase transformation from dc-Ge to r8-Ge, and shear accumulation led to another phase transformation pathway, respectively. A high holding load promoted these two phenomena, and thus decreased the possibility of phase transformation from dc-Ge to r8-Ge.

Antiferromagnetic Ordering in Quasi-Triangular Localized Spin System, β'-Et2Me2P[Pd(dmit)2]2, Studied by 13C NMR

Science.gov (United States)

Otsuka, Kei; Iikubo, Hideaki; Kogure, Takayuki; Takano, Yoshiki; Hiraki, Ko-ichi; Takahashi, Toshihiro; Cui, Hengbo; Kato, Reizo

2014-05-01

We performed 13C NMR measurements of a selectively 13C isotope-labeled single-crystal sample of a frustrated spin system, β'-Et2Me2P[Pd(dmit)2]2. A long-range antiferromagnetic (AF) ordering below 17 K was confirmed by the observation of NMR spectrum broadening and well split resonance lines at lower temperatures. NMR spectra in the AF state can be well explained by a two sublattice model. From the analysis of the angular dependence of the NMR spectrum, we clarified the magnetic structure in the AF state, where the easy and hard axes are the crystallographic c*- and b-axes, respectively, and the effective localized moments are quite small, ˜0.28 μB/dimer. This suggests a strong quantum fluctuation effect due to magnetic frustrations in a quasi-triangular spin-1/2 system.

High-quality bulk hybrid perovskite single crystals within minutes by inverse temperature crystallization

KAUST Repository

Saidaminov, Makhsud I.

2015-07-06

Single crystals of methylammonium lead trihalide perovskites (MAPbX3; MA=CH3NH3+, X=Br− or I−) have shown remarkably low trap density and charge transport properties; however, growth of such high-quality semiconductors is a time-consuming process. Here we present a rapid crystal growth process to obtain MAPbX3 single crystals, an order of magnitude faster than previous reports. The process is based on our observation of the substantial decrease of MAPbX3 solubility, in certain solvents, at elevated temperatures. The crystals can be both size- and shape-controlled by manipulating the different crystallization parameters. Despite the rapidity of the method, the grown crystals exhibit transport properties and trap densities comparable to the highest quality MAPbX3 reported to date. The phenomenon of inverse or retrograde solubility and its correlated inverse temperature crystallization strategy present a major step forward for advancing the field on perovskite crystallization.

Attenuation of thermal neutrons by an imperfect single crystal

Energy Technology Data Exchange (ETDEWEB)

Naguib, K.; Adib, M. [National Research Centre, Cairo (Egypt). Reactor and Neutron Physics Dept.

1996-06-14

A semi-empirical formula is given which allows one to calculate the total thermal cross section of an imperfect single crystal as a function of crystal constants, temperature and neutron energy E, in the energy range between 3 meV and 10 eV. The formula also includes the contribution of the parasitic Bragg scattering to the total cross section that takes into account the crystal mosaic spread value and its orientation with respect to the neutron beam direction. A computer program (ISCANF) was developed to calculate the total attenuation of neutrons using the proposed formula. The ISCANF program was applied to investigate the neutron attenuation through a copper single crystal. The calculated values of the neutron transmission through the imperfect copper single crystal were fitted to the measured ones in the energy range 3-40 meV at different crystal orientations. The result of fitting shows that use of the computer program ISCANF allows one to predict the behaviour of the total cross section of an imperfect copper single crystal for the whole energy range. (author).

Attenuation of thermal neutrons by an imperfect single crystal

Science.gov (United States)

Naguib, K.; Adib, M.

1996-06-01

A semi-empirical formula is given which allows one to calculate the total thermal cross section of an imperfect single crystal as a function of crystal constants, temperature and neutron energy E, in the energy range between 3 meV and 10 eV. The formula also includes the contribution of the parasitic Bragg scattering to the total cross section that takes into account the crystal mosaic spread value and its orientation with respect to the neutron beam direction. A computer program (ISCANF) was developed to calculate the total attenuation of neutrons using the proposed formula. The ISCANF program was applied to investigate the neutron attenuation through a copper single crystal. The calculated values of the neutron transmission through the imperfect copper single crystal were fitted to the measured ones in the energy range 3 - 40 meV at different crystal orientations. The result of fitting shows that use of the computer program ISCANF allows one to predict the behaviour of the total cross section of an imperfect copper single crystal for the whole energy range.

Regularities of recrystallization in rolled Zr single crystals

International Nuclear Information System (INIS)

Isaenkova, M; Perlovich, Yu; Fesenko, V; Krymskaya, O; Krapivka, N; Thu, S S

2015-01-01

Experiments by rolled single crystals give a more visible conception of the operating mechanisms of plastic deformation and the following recrystallization, than experiments by polycrystals. Studies by usage of X-ray diffraction methods were conducted by Zr single crystals. It was revealed, that regions of the α-Zr matrix, deformed mainly by twinning, are characterized with decreased tendency to recrystallization. Orientations of recrystallized α-Zr grains correspond to “slopes” of maxima in the rolling texture, where the level of crystalline lattice distortion is maximal and the number of recrystallization nuclei is most of all. (paper)

How far could energy transport within a single crystal

Science.gov (United States)

Zhang, Yifan; Che, Yanke; Zhao, Jincai; Steve, Granick

Efficient transport of excitation energy over long distance is a vital process in light-harvesting systems and molecular electronics. The energy transfer distance is largely restricted by the probability decay of the exciton when hopping within a single crystal. Here, we fabricated an organic single crystal within which the energy could transfer more than 100 μm, a distance only limited by its crystal size. Our system could be regarded as a ``Sprint relay game'' performing on different surface of tracks. Photoinduced ``athletes'' (excitons) triggered intermolecular ``domino'' reaction to propagate energy for a long distance. In addition, athletes with the same ability runs much farther on smooth ideal track (single crystal assembled from merely van der Waals interaction) than bumpy mud track (crystal assembled from combination of pi-stacking, hydrogen bond and van der Waals interactions). Our finding presents new physics on enhancing energy transfer length within a single crystal. Current Affiliation: Institute for Basic Science, South Korea.

Chemistry of microporous crystals

International Nuclear Information System (INIS)

Inui, Tomoyuki; Namba, Seitaro; Tatsumi, Takashi

1991-01-01

This volume contains three papers which are in INIS scope, entitled respectively: 129 Xe-NMR study of the crystallization of SAPO-37, NMR studies of cation localization in zeolites, developments in x-ray and neutron diffraction methods for zeolites. (H.W.). refs.; figs.; tabs

NMR studies concerning base-base interactions in oligonucleotides

International Nuclear Information System (INIS)

Hoogen, Y.T. van den.

1988-01-01

Two main subjects are treated in the present thesis. The firsst part principally deals with the base-base interactions in single-stranded oligoribonucleotides. The second part presents NMR and model-building studies of DNA and RNA duplexes containing an unpaired base. (author). 242 refs.; 26 figs.; 24 tabs

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

Science.gov (United States)

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

2018-04-01

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

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

Functional studies using NMR

International Nuclear Information System (INIS)

McCready, V.R.; Leach, M.O.; Sutton; Ell, P.

1986-01-01

The object of this book is to discuss and evaluate an area of Nuclear Magnetic Resonance which to date has been less emphasized than it might be, namely the use of NMR for functional studies. The book commences with a discussion of the areas in which the NMR techniques might be needed due to deficiencies in other techniques. The physics of NMR especially relating to functional measurement are then explained. Technical factors in producing functional images are discussed and the use of paramagnetic substances for carrying out flow studies are detailed. Particular attention is paid to specific studies in the various organs. The book ends with a survey of imaging in each organ and the relation of NMR images to other techniques such as ultrasound, nuclear medicine and X-rays

Crystal growth and optical properties of Sm:CaNb2O6 single crystal

International Nuclear Information System (INIS)

Di Juqing; Xu Xiaodong; Xia Changtai; Zeng Huidan; Cheng Yan; Li Dongzhen; Zhou Dahua; Wu Feng; Cheng Jimeng; Xu Jun

2012-01-01

Highlights: ► Sm:CaNb 2 O 6 single crystal was grown by the Czochralski method. ► Thermal expansion coefficients and J–O parameters were calculated. ► We found that this crystal had high quantum efficiency of 97%. - Abstract: Sm:CaNb 2 O 6 single crystal has been grown by the Czochralski method. Its high-temperature X-ray powder diffraction, optical absorption, emission spectroscopic as well as lifetime have been studied. Thermal expansion coefficients (α), J–O parameters (Ω i ), radiative lifetime (τ rad ), branching ratios (β) and stimulated emission cross-sections (σ e ) were calculated. The quantum efficiency (η) was calculated to be 97%. The intense peak emission cross section at 610, 658 nm were calculated to be 2.40 × 10 −21 , 2.42 × 10 −21 cm 2 . These results indicate that Sm:CaNb 2 O 6 crystal has potential use in visible laser and photonic devices area.

Structural and optical properties of WTe2 single crystals synthesized by DVT technique

Science.gov (United States)

Dixit, Vijay; Vyas, Chirag; Pathak, V. M.; Soalanki, G. K.; Patel, K. D.

2018-05-01

Layered transition metal di-chalcogenide (LTMDCs) crystals have attracted much attention due to their potential in optoelectronic device applications recently due to realization of their monolayer based structures. In the present investigation we report growth of WTe2 single crystals by direct vapor transport (DVT) technique. These crystals are then characterized by energy dispersive analysis of x-rays (EDAX) to study stoichiometric composition after growth. The structural properties are studied by x-ray diffraction (XRD) and selected area electron diffraction (SAED) is used to confirm orthorhombic structure of grown WTe2 crystal. Surface morphological properties of the crystals are also studied by scanning electron microscope (SEM). The optical properties of the grown crystals are studied by UV-Visible spectroscopy which gives direct band gap of 1.44 eV for grown WTe2 single crystals.

Nanomechanical resonant structures in single-crystal diamond

OpenAIRE

Burek, Michael J.; Ramos, Daniel; Patel, Parth; Frank, Ian W.; Lončar, Marko

2013-01-01

With its host of outstanding material properties, single-crystal diamond is an attractive material for nanomechanical systems. Here, the mechanical resonance characteristics of freestanding, single-crystal diamond nanobeams fabricated by an angled-etching methodology are reported. Resonance frequencies displayed evidence of significant compressive stress in doubly clamped diamond nanobeams, while cantilever resonance modes followed the expected inverse-length-squared trend. Q-factors on the o...

Crystal growth, spectral and laser properties of Nd:LSAT single crystal

Science.gov (United States)

Hu, P. C.; Yin, J. G.; Zhao, C. C.; Gong, J.; He, X. M.; Zhang, L. H.; Liang, X. Y.; Hang, Y.

2011-10-01

Nd:(La, Sr)(Al, Ta)O3 (Nd:LSAT) crystal was grown by the Czochralski method. The absorption and fluorescence spectra of Nd:LSAT crystal at room temperature were investigated. With a fiber-coupled diode laser as pump source, the continuous-wave (CW) laser action of Nd:LSAT crystal was demonstrated. The result of diode-pumped laser operation of Nd:LSAT crystal single crystal is reported for what is to our knowledge the first time. The maximum output power at 1064 nm was obtained to be 165 mW under the incident pump power of 3 W, with the slope efficiency 10.9%.

Some double resonance and multiple quantum NMR studies in solids

International Nuclear Information System (INIS)

Wemmer, D.E.

1978-08-01

The first section of this work presents the theory and experimental applications to analysis of molecular motion of chemical shielding lineshapes obtained with high resolution double resonance NMR techniques. Analysis of 13 C powder lineshapes in hexamethylbenzene (HMB) and decamethylferrocene (DMFe) show that these molecules reorient in a jumping manner about the symmetry axis. Analysis of proton chemical shielding lineshapes of residual protons in heavy ice (D 2 O) show that protons are exchanged among the tetrahedral positions of neighboring oxygen atoms, consistent with motion expected from defect migration. The second section describes the application of Fourier Transform Double Quantum NMR to measurement of chemical shielding of deuterium in powder samples. Studies of partially deuterated benzene and ferrocene give equal shielding anisotropies, Δsigma = -6.5 ppM. Theoretical predictions and experimental measurements of dipolar couplings between deuterons using FTDQ NMR are presented. Crystals of BaClO 3 .D 2 O, α,β d-2 HMB and α,β,γ d-3 HMB were studied, as were powders of d-2 HMB and anisic acid. The third section discusses general multiple quantum spectroscopy in dipolar coupled spin systems. Theoretical description is made for creation and detection of coherences between states without quantum number selection rules Δm = +-1. Descriptions of techniques for partial selectivity of order in preparation and detection of multiple quantum coherences are made. The effects on selectivity and resolution of echo pulses during multiple quantum experiments are discussed. Experimental observation of coherences up to order 6 have been made in a sample of benzene dissolved in a liquid crystal. Experimental verifications of order selection and echo generation have been made

Synthesis, characterization, single crystal X-ray determination, fluorescence and electrochemical studies of new dinuclear nickel(II) and oxovanadium(IV) complexes containing double Schiff base ligands

Science.gov (United States)

Shafaatian, Bita; Ozbakzaei, Zahra; Notash, Behrouz; Rezvani, S. Ahmad

2015-04-01

A series of new bimetallic complexes of nickel(II) and vanadium(IV) have been synthesized by the reaction of the new double bidentate Schiff base ligands with nickel acetate and vanadyl acetylacetonate in 1:1 M ratio. In nickel and also vanadyl complexes the ligands were coordinated to the metals via the imine N and enolic O atoms. The complexes have been found to possess 1:1 metals to ligands stoichiometry and the molar conductance data revealed that the metal complexes were non-electrolytes. The nickel and vanadyl complexes exhibited distorted square planar and square pyramidal coordination geometries, respectively. The emission spectra of the ligands and their complexes were studied in methanol. Electrochemical properties of the ligands and their metal complexes were also investigated in DMSO solvent at 150 mV s-1 scan rate. The ligands and metal complexes showed both quasi-reversible and irreversible processes at this scan rate. The Schiff bases and their complexes have been characterized by FT-IR, 1H NMR, UV/Vis spectroscopies, elemental analysis and conductometry. The crystal structure of the nickel complex has been determined by single crystal X-ray diffraction.

Studies of the kinetics and mechanisms of ammonia synthesis and hydrodesulfurization on metal single-crystal surfaces

International Nuclear Information System (INIS)

Gellman, A.J.; Asscher, M.; Somorjai, G.A.

1985-01-01

The authors studied the ammonia synthesis reaction over Fe and Re single crystal surfaces and the hydrodesulfurization of thiophene over the Mo(100) single crystal surface. The studies have been performed using UHV surface science tools with the capability of exposing the surfaces to high pressure, high temperature reaction conditions. The ammonia synthesis reaction was shown to be extremely sensitive to surface structure on both Fe and Re, favoring surfaces with a rough or open topography. The HDS reaction on the Mo(100) surface has been shown to be similar to that on MoS/sub 2/ and appears to proceed via a reaction path that does not produce a strong Mo-S bond as an intermediate species

Optical and dielectric studies of KH2PO4 crystal influenced by organic ligand of citric acid and l-valine: A single crystal growth and comparative study

Directory of Open Access Journals (Sweden)

Mohd Anis

Full Text Available In the present study pure, citric acid (CA and l-valine (LV doped potassium dihydrogen phosphate (KDP crystals have been grown with the aim to investigate the nonlinear optical applications facilitated by UV–visible, third order nonlinear optical (TONLO and dielectric properties. The structural parameters of grown crystals have been confirmed by single crystal X-ray diffraction analysis. The enhancement in optical transparency of KDP crystal due to addition of CA and LV has been examined within 200–900 nm by means of UV–visible spectral analysis. In addition, the transmittance data have been used to evaluate the effect of dopants on reflectance, refractive index and extinction coefficient of grown crystals in the visible region. The Z-scan analysis has been performed at 632.8 nm to identify the nature of photoinduced nonlinear refraction and nonlinear absorption in doped KDP crystals. The influence of π-bonded ligand of dopant CA and LV on TONLO susceptibility (χ3, refractive index (n2 and absorption coefficient (β of KDP crystals has been evaluated to discuss laser assisted device applications. The decrease in dielectric constant and dielectric loss of KDP crystal due to addition of CA and LV has been explored using the temperature dependent dielectric studies. Keywords: Crystal growth, Nonlinear optical materials, UV–visible studies, Z-scan analysis, Dielectric studies

Preparation, crystal structure, vibrational spectral and density functional studies of bis (4-nitrophenol)-2,4,6-triamino-1,3,5-triazine monohydrate

Science.gov (United States)

Kanagathara, N.; Marchewka, M. K.; Drozd, M.; Renganathan, N. G.; Gunasekaran, S.; Anbalagan, G.

2013-10-01

An organic-organic salt, bis (4-nitrophenol) 2,4,6-triamino 1,3,5-triazine monohydrate (BNPM) has been prepared by slow evaporation technique at room temperature. Single crystal X-ray diffraction analysis reveals that the compound crystallizes in triclinic system with centrosymmetric space group P-1. IR and Raman spectra of BNPM have been recorded and analyzed. The study has been extended to confocal Raman spectral analysis. Band assignments have been made for the melamine and p-nitrophenol molecules. Vibrational spectra have also been discussed on the basis of quantum chemical density functional theory calculations using Firefly (PC GAMESS) Version 7.1 G. Vibrational frequencies are calculated and scaled values are compared with the experimental one. The Mulliken charges, HOMO-LUMO orbital energies are calculated and analyzed. The chemical structure of the compound was established by 1H NMR and 13C NMR spectra.

Encapsulation of nanoparticles into single-crystal ZnO nanorods and microrods.

Science.gov (United States)

Liu, Jinzhang; Notarianni, Marco; Rintoul, Llew; Motta, Nunzio

2014-01-01

One-dimensional single crystal incorporating functional nanoparticles of other materials could be an interesting platform for various applications. We studied the encapsulation of nanoparticles into single-crystal ZnO nanorods by exploiting the crystal growth of ZnO in aqueous solution. Two types of nanodiamonds with mean diameters of 10 nm and 40 nm, respectively, and polymer nanobeads with size of 200 nm have been used to study the encapsulation process. It was found that by regrowing these ZnO nanorods with nanoparticles attached to their surfaces, a full encapsulation of nanoparticles into nanorods can be achieved. We demonstrate that our low-temperature aqueous solution growth of ZnO nanorods do not affect or cause degradation of the nanoparticles of either inorganic or organic materials. This new growth method opens the way to a plethora of applications combining the properties of single crystal host and encapsulated nanoparticles. We perform micro-photoluminescence measurement on a single ZnO nanorod containing luminescent nanodiamonds and the spectrum has a different shape from that of naked nanodiamonds, revealing the cavity effect of ZnO nanorod.

Perovskite single crystals and thin films for optoelectronic devices (Conference Presentation)

Science.gov (United States)

Li, Gang; Han, Qifeng; Yang, Yang; Bae, Sang-Hoon; Sun, Pengyu

2016-09-01

Hybrid organolead trihalide perovskite (OTP) solar cells have developed as a promising candidate in photovoltaics due to their excellent properties including a direct bandgap, strong absorption coefficient, long carrier lifetime, and high mobility. Most recently, formamidinium (NH2CH=NH2+ or FA) lead iodide (FAPbI3) has attracted significant attention due to several advantages: (1) the larger organic FA cation can replace the MA cation and form a more symmetric crystal structure, (2) the smaller bandgap of FAPbI3 allows for near infrared (NIR) absorption, and (3) FAPbI3 has an elevated decomposition temperature and thus potential to improve stability. Single crystals provide an excellent model system to study the intrinsic electrical and optical properties of these materials due to their high purity, which is particularly important to understand the limits of these materials. In this work, we report the growth of large ( 5 millimeter size) single crystal FAPbI3 using a novel liquid based crystallization method. The single crystal FAPbI3 demonstrated a δ-phase to α-phase transition with a color change from yellow to black when heated to 185°C within approximately two minutes. The crystal structures of the two phases were identified and the PL emission peak of the α-phase FAPbI3 (820 nm) shows clear red-shift compared to the FAPbI3 thin film (805 nm). The FAPbI3 single crystal shows a long carrier lifetime of 484 ns, a high carrier mobility of 4.4 cm2·V-1·s-1, and even more interestingly a conductivity of 1.1 × 10-7(ohm·cm)-1, which is approximately one order of magnitude higher than that of the MAPbI3 single crystal. Finally, high performance photoconductivity type photodetectors were successfully demonstrated using the single crystal FAPbI3.

Epitaxial growth of thin single-crystals and their quality study by Rutherford scattering in channeling conditions

International Nuclear Information System (INIS)

Kirsch, Robert.

1975-01-01

Some aspects of thin crystalline layers are reminded: vacuum deposition, epitaxial growth, annealing and interdiffusion ion channeling and scattering of 1-2MeV helium ions are used to study the crystalline quality, the annealing effects and in some cases the interdiffusion in epitaxial multilayers of silver, copper gold and nickel. Thin single-crystals of gold and nickel oriented (III) plan parallel to the surface were obtained by successive epitaxial growth from muscovite mica clivages. The mounting techniques of single crystalline, self-supporting, 300 to 1200 Angstroems thick, gold and nickel targets of 3mm diameter are described. The gold single-crystals have dislocation densities of 10 8 cm -2 and the various epitaxial layers are obtained without twinning [fr

Strengthening mechanisms of Fe nanoparticles for single crystal Cu–Fe alloy

International Nuclear Information System (INIS)

Shi, Guodong; Chen, Xiaohua; Jiang, Han; Wang, Zidong; Tang, Hao; Fan, Yongquan

2015-01-01

A single crystal Cu–Fe alloy with finely dispersed precipitate Fe nanoparticles was fabricated in this study. The interface relationship of iron nanoparticle and copper matrix was analyzed with a high-resolution transmission electron microscope (HRTEM), and the effect of Fe nanoparticles on mechanical properties of single crystal Cu–Fe alloy was discussed. Results show that, the finely dispersed Fe nanoparticles can be obtained under the directional solidification condition, with the size of 5–50 nm and the coherent interface between the iron nanoparticle and the copper matrix. Single crystal Cu–Fe alloy possesses improved tensile strength of 194.64 MPa, and total elongation of 44.72%, respectively, at room temperature, in contrast to pure Cu sample. Nanoparticles which have coherent interface with matrix can improve the dislocation motion state. Some dislocations can slip through the nanoparticle along the coherent interface and some dislocations can enter into the nanoparticles. Thus to improve the tensile strength of single crystal Cu–Fe alloy without sacrificing the ductility simultaneously. Based on the above analyses, strengthening mechanisms of Fe nanoparticles for single crystal Cu–Fe alloy was described

X-ray diffraction study of stacking faults in a single crystal of 2H SiC

International Nuclear Information System (INIS)

Pandey, D.; Krishna, P.

1977-01-01

The nature of random stacking faults in a heavily disordered single crystal of 2H SiC has been investigated by studying the broadening of x-ray diffraction maxima. The intensity distribution along the 10.1 reciprocal lattice row was recorded on a four-circle, computer-controlled single crystal diffractometer. The 10.1 reflections with 1 even were found to be considerably broadened showing that the stacking faults present are predominantly intrinsic faults ( both growth and deformation faults). A careful study of the half-width values of different 10.1 reflections revealed that the fault probabilities are large. Exact expressions for the diffracted intensity and the observable diffraction effects were obtained and these were then used to calculate the deformation and growth fault probabilities which were found to be 0.20 and 0.11 respectively. It is suggested that several deformation fault configurations result from a clustering of growth faults. The results obtained are compared with those obtained for 2H ZnS crystals. (author)

Xenon-Water Interaction in Bacterial Suspensions as Studied by NMR

DEFF Research Database (Denmark)

Rodin, V.; Ponomarev, Alexander; Gerasimov, Maxim

2017-01-01

suspensions of Escherichia coli in the presence of xenon using nuclear magnetic resonance (NMR). The work studied how the spin-lattice relaxation times of water protons in suspension change under xenon conditions. Xenon is able to form clathrate hydrates with water molecules at a temperature above the melting...... point of ice. The work studied NMR relaxation times which reflect the rotation freedom of water molecules in suspension. Lower relaxation times indicate reduced rotational freedom of water. Single exponential behavior of spin-lattice relaxation of protons in the suspensions of microorganisms has been...

NMR of bicelles: orientation and mosaic spread of the liquid-crystal director under sample rotation

International Nuclear Information System (INIS)

Zandomeneghi, Giorgia; Tomaselli, Marco; Williamson, Philip T.F.; Meier, Beat H.

2003-01-01

Model-membrane systems composed of liquid-crystalline bicellar phases can be uniaxially oriented with respect to a magnetic field, thereby facilitating structural and dynamics studies of membrane-associated proteins. Here we quantitatively characterize a method that allows the manipulation of the direction of this uniaxial orientation. Bicelles formed from DMPC/DHPC are examined by 31 P NMR under variable-angle sample-spinning (VAS) conditions, confirming that the orientation of the liquid-crystalline director can be influenced by sample spinning. The director is perpendicular to the rotation axis when Θ (the angle between the sample-spinning axis and the magnetic field direction) is smaller than the magic angle, and is parallel to the rotation axis when Θ is larger than the magic angle. The new 31 P NMR VAS data presented are considerably more sensitive to the orientation of the bicelle than earlier 2 H studies and the analysis of the sideband pattern allows the determination of the orientation of the liquid-crystal director and its variation over the sample, i.e., the mosaic spread. Under VAS, the mosaic spread is small if Θ deviates significantly from the magic angle but becomes very large at the magic angle

Solar cell structure incorporating a novel single crystal silicon material

Science.gov (United States)

Pankove, Jacques I.; Wu, Chung P.

1983-01-01

A novel hydrogen rich single crystal silicon material having a band gap energy greater than 1.1 eV can be fabricated by forming an amorphous region of graded crystallinity in a body of single crystalline silicon and thereafter contacting the region with atomic hydrogen followed by pulsed laser annealing at a sufficient power and for a sufficient duration to recrystallize the region into single crystal silicon without out-gassing the hydrogen. The new material can be used to fabricate semiconductor devices such as single crystal silicon solar cells with surface window regions having a greater band gap energy than that of single crystal silicon without hydrogen.

Electronic transport properties of single crystal thallium-2201 superconductors

International Nuclear Information System (INIS)

Yandrofski, R.M.

1992-01-01

Four-probe resistance measurements on single crystals of the calcium-free thallium-based superconducting Tl 2 Ba 2 CuO 6+σ phase (Tl-2201) were performed in magnetic fields up to 12 Telsa. Single crystals of sizes were grown by a self-flux technique and were characterized by single crystal X-ray diffraction and X-ray Dispersive Analysis. Field measurements were taken at dc and at low frequencies using a lock-in technique. Techniques were developed to oxygen-anneal the as-grown single crystals to generate single crystal samples of the same Tl-2201 phase with varying transition interaction effect against appropriate composite general alternatives are developed for the standard two-way layout with a single observation per cell. Nonparametric aligned-rank test procedures are introduced. One of the new procedures is shown to be equivalent to a slight modification of the previously studied Latin square procedures when the factors have the same number of levels. The equal in distribution technique is used to show that any statistic based on the joint ranks should not be used to test the hypotheses of interest. The tests based on aligning with the averages do not depend on the nuisance main effects, while those based on aligning with the median do depend on the nuisance main effects. The relative power performance of the competing tests are examined via Monte Carlo simulation. Power studies conducted on the 5 x 5, 5 x 6, and 5 x 9 two-way layouts with one observation per cell show that the new procedures based on a comparison of all possible pairs of rank-profiles perform quite well for two types of product interaction, a general class of interaction effects proposed by Martin, and several sets of specific interaction effects. Approximate critical values for some of the proposed procedures are explored in the special case when the main effect parameters for one factor are known

Effect of Metal Dopant on Ninhydrin—Organic Nonlinear Optical Single Crystals

Directory of Open Access Journals (Sweden)

R. S. Sreenivasan

2013-01-01

Full Text Available In the present work, metal (Cu2+-substituted ninhydrin single crystals were grown by slow evaporation method. The grown crystals have been subjected to single crystal XRD, powder X-ray diffraction, FTIR, dielectric and SHG studies. Single crystal X-ray diffraction analysis reveals that the compound crystallizes in monoclinic system with noncentrosymmetric space group P21 with lattice parameters a=11.28 Å, b=5.98 Å, c=5.71 Å, α=90∘, β=98.57, γ=90∘, and V=381 (Å3, which agrees very well with the reported value. The sharp and strong peaks in the powder X-ray diffraction pattern confirm the good crystallinity of the grown crystals. The presence of dopants marginally altered the lattice parameters without affecting the basic structure of the crystal. The UV-Vis transmittance spectrum shows that the crystal has a good optical transmittance in the entire visible region with lower cutoff wavelength 314 nm. The vibrational frequencies of various functional groups in the crystals have been derived from FT-IR analysis. Based on the shifts in the vibrations, the presence of copper in the lattice of the grown crystal is clearly established from the pure ninhydrin crystals. Both dielectric constant and dielectric loss decrease with the increase in frequency. The second harmonic generation efficiency was measured by employing powder Kurtz method.

Simulation of nuclear magnetic resonance spectra of liquid crystals, polymers liquid crystals and conventional polymers

International Nuclear Information System (INIS)

Gerard, H.

1993-01-01

The aim of this study is the simulation and the exploitation of NMR spectra of nematic liquid crystals and of polymers. The NMR forms of lines are analysed owing to two complementary models. The first (single conformation model) describes the purely molecular contribution (geometry and internal movements in the molecule), the second the contribution of collective movements (visco elastic modes). Recallings on the NMR method and the orientational order notion within the nematic phase, are given in the first part, where these two models are also described. In a second part these models are applied to data relative to nematic molecules of weak molecular mass and to nematic polymers. This application allows to obtain informations on the structure and the internal movements of the molecule, the orientational order prevailing within the phase and the visco-elastic properties of the studied material. At last it is demonstrated that extension of these models to NMR data of polymers which don't present nematic phase in pure phase allows to obtain similar informations if we consider that their amorphous phase presents locally a nematic order. 136 refs., 46 figs., 4 tabs

A study on the growth of compound semiconductor single crystal by TOM technique

International Nuclear Information System (INIS)

Kim, H.C.; Kwon, S.I.; Chung, M.K.; Chang, J.S.

1981-01-01

This paper describes the merit of the HgI 2 single crystals obtained by solution growth, 2- and 3-region temperature growth, and temperature oscillation growth for soft γ-ray detectors which can be operated at room temperature. Special efforts are put on the design, construction, and operation of the TOM (Temperature Oscillation Method) single crystal growing furnace. Experimental results show that HgI 2 detectors fabricated by vapour phase growth method usually exhibit sufficient enough detector characteristics for soft γ-ray spectrometry. However, further investigation should be carried out to eliminate detector deterioration due to polarization effect. (author)

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

KAUST Repository

Chao, Chunying

2012-08-15

Free-standing single-crystal PbTiO 3 nanoplates (see picture) were synthesized by a facile hydrothermal method. A "self-templated" crystal growth is presumed to lead to the formation of the PbTiO 3 nanoplates, which have ferroelectric single-domain structures, whose polarization areas can be manipulated by writing and reading. The nanoplates are also effective catalysts for the oxidation of carbon monoxide. © 2012 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Antiferromagnetism in chromium alloy single crystals

DEFF Research Database (Denmark)

Bjerrum Møller, Hans; Trego, A.L.; Mackintosh, A.R.

1965-01-01

The antiferromagnetism of single crystals of dilute alloys of V, Mn and Re in Cr has been studied at 95°K and 300°K by neutron diffraction. The addition of V causes the diffraction peaks to decrease in intensity and move away from (100), while Mn and Re cause them to increase and approach (100) s...

Gallium arsenide single crystal solar cell structure and method of making

Science.gov (United States)

Stirn, Richard J. (Inventor)

1983-01-01

A production method and structure for a thin-film GaAs crystal for a solar cell on a single-crystal silicon substrate (10) comprising the steps of growing a single-crystal interlayer (12) of material having a closer match in lattice and thermal expansion with single-crystal GaAs than the single-crystal silicon of the substrate, and epitaxially growing a single-crystal film (14) on the interlayer. The material of the interlayer may be germanium or graded germanium-silicon alloy, with low germanium content at the silicon substrate interface, and high germanium content at the upper surface. The surface of the interface layer (12) is annealed for recrystallization by a pulsed beam of energy (laser or electron) prior to growing the interlayer. The solar cell structure may be grown as a single-crystal n.sup.+ /p shallow homojunction film or as a p/n or n/p junction film. A Ga(Al)AS heteroface film may be grown over the GaAs film.

Single-Photon Source for Quantum Information Based on Single Dye Molecule Fluorescence in Liquid Crystal Host

International Nuclear Information System (INIS)

Lukishova, S.G.; Knox, R.P.; Freivald, P.; McNamara, A.; Boyd, R.W.; Stroud, Jr. C.R.; Schmid, A.W.; Marshall, K.L.

2006-01-01

This paper describes a new application for liquid crystals: quantum information technology. A deterministically polarized single-photon source that efficiently produces photons exhibiting antibunching is a pivotal hardware element in absolutely secure quantum communication. Planar-aligned nematic liquid crystal hosts deterministically align the single dye molecules which produce deterministically polarized single (antibunched) photons. In addition, 1-D photonic bandgap cholesteric liquid crystals will increase single-photon source efficiency. The experiments and challenges in the observation of deterministically polarized fluorescence from single dye molecules in planar-aligned glassy nematic-liquid-crystal oligomer as well as photon antibunching in glassy cholesteric oligomer are described for the first time

Solid-state NMR of inorganic semiconductors.

Science.gov (United States)

Yesinowski, James P

2012-01-01

Studies of inorganic semiconductors by solid-state NMR vary widely in terms of the nature of the samples investigated, the techniques employed to observe the NMR signal, and the types of information obtained. Compared with the NMR of diamagnetic non-semiconducting substances, important differences often result from the presence of electron or hole carriers that are the hallmark of semiconductors, and whose theoretical interpretation can be involved. This review aims to provide a broad perspective on the topic for the non-expert by providing: (1) a basic introduction to semiconductor physical concepts relevant to NMR, including common crystal structures and the various methods of making samples; (2) discussions of the NMR spin Hamiltonian, details of some of the NMR techniques and strategies used to make measurements and theoretically predict NMR parameters, and examples of how each of the terms in the Hamiltonian has provided useful information in bulk semiconductors; (3) a discussion of the additional considerations needed to interpret the NMR of nanoscale semiconductors, with selected examples. The area of semiconductor NMR is being revitalized by this interest in nanoscale semiconductors, the great improvements in NMR detection sensitivity and resolution that have occurred, and the current interest in optical pumping and spintronics-related studies. Promising directions for future research will be noted throughout.

Capillarity creates single-crystal calcite nanowires from amorphous calcium carbonate.

Science.gov (United States)

Kim, Yi-Yeoun; Hetherington, Nicola B J; Noel, Elizabeth H; Kröger, Roland; Charnock, John M; Christenson, Hugo K; Meldrum, Fiona C

2011-12-23

Single-crystal calcite nanowires are formed by crystallization of morphologically equivalent amorphous calcium carbonate (ACC) particles within the pores of track etch membranes. The polyaspartic acid stabilized ACC is drawn into the membrane pores by capillary action, and the single-crystal nature of the nanowires is attributed to the limited contact of the intramembrane ACC particle with the bulk solution. The reaction environment then supports transformation to a single-crystal product. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Studies on transport properties of copper doped tungsten diselenide single crystals

Science.gov (United States)

Deshpande, M. P.; Parmar, M. N.; Pandya, Nilesh N.; Chaki, Sunil; Bhatt, Sandip V.

2012-02-01

During recent years, transition metal dichalcogenides of groups IVB, VB and VIB have received considerable attention because of the great diversity in their transport properties. 2H-WSe 2 (Tungsten diselenide) is an interesting member of the transition metal dichalcogenide (TMDC's) family and known to be a semiconductor useful for photovoltaic and optoelectronic applications. The anisotropy usually observed in this diamagnetic semiconductor material is a result of the sandwich structure of Se-W-Se layers interacting with each other, loosely bonded by the weak Van der Waals forces. Recent efforts in studying the influence of the anisotropic electrical and optical properties of this layered-type transition metal dichalcogenides have been implemented by doping the samples with different alkali group elements. Unfortunately, little work is reported on doping of metals in WSe 2. Therefore, it is proposed in this work to carry out a systematic growth of single crystals of WSe 2 by doping it with copper in different proportions i.e. Cu xWSe 2 ( x=0, 0.5, 1.0) by direct vapour transport technique. Transport properties like low and high temperature resistivity measurements, high pressure resistivity, Seebeck coefficient measurements at low temperature and Hall Effect at room temperature were studied in detail on all these samples. These measurements show that tungsten diselenide single crystals are p-type whereas doped with copper makes it n-type in nature. The results obtained and their implications are discussed in this paper.

Lithium tantalate single crystal for pyroelectricity-based laser energy-meter: growth, application and phase transition study

International Nuclear Information System (INIS)

Bhaumik, Indranil; Ganesamoorthy, S.; Bhatt, R.; Karnal, A.K.; Gupta, P.K.

2009-01-01

Single crystals of lithium tantalate have been grown. Dielectric-spectroscopy study reveals phase transition in congruent lithium tantalate (CLT) single crystal is diffusive and frequency dependent in contrast to that in near stoichiometric lithium tantalate where it is sharper. The ac conductivity measurements show that the conductivity is lower for 0.5Mg-SLT as compared to 1.0Mg-SLT. This is explained in terms of a Li-vacancy model. Calculation of activation energy from the lnσ vs. 1000/T plot reveals that hopping of Li + ions becomes difficult for 0.5 Mg-SLT. The pyroelectric response of CLT for pulsed Nd:YAG laser output has been tested. (author)

An EPMA study on KNbO3 and NaNbO3 single crystals - potential reference materials for quantitative microanalysis

International Nuclear Information System (INIS)

Samardzzija, Z.; Bernik, S.; Malic, B.; Ceh, M.; Marinenko, R.B.

2004-01-01

Single crystals of KNbO 3 and NaNbO 3 were selected from the limited number of suitable alkali compounds that are available and evaluated as possible reference materials for the electron-probe microanalysis (EPMA) of alkaline niobates with a composition described by the general formula K 1-x Na x NbO 3 . The EPMA study verified that KNbO 3 and NaNbO 3 single crystals are stable under the electron beam and compositionally homogeneous. A quantitative microanalysis confirmed the composition of pure KNbO 3 , while the NaNbO 3 crystal contained 0.3 mass fraction % of Ca. A significant improvement in the accuracy of the quantitative EPMA of polycrystalline potassium-sodium niobates was achieved using these single crystals as standards. The crystals can also be useful as reference materials for the analysis of sodium and potassium in other materials. (author)

Nuclear spin phonon relaxation by Raman process in Na{sub 3}H(SO{sub 4}){sub 2} single crystals with the electric-quadrupole-type interaction using {sup 1}H and {sup 23}Na NMR

Energy Technology Data Exchange (ETDEWEB)

Lim, Ae Ran [Department of Science Education, Jeonju University, Jeonju 560-759, Chonbuk (Korea, Republic of)], E-mail: aeranlim@hanmail.net; Shin, Chang Woo [Solid State Analysis Team, Korea Basic Science Institute, Daegu 702-701 (Korea, Republic of)

2008-11-30

Successive phase transitions in a Na{sub 3}H(SO{sub 4}){sub 2} single crystal were found at 296, 513, and 533 K. To investigate the mechanism of the phase transition at 296 K, the {sup 1}H and {sup 23}Na spin-lattice relaxation time and the spin-spin relaxation time of Na{sub 3}H(SO{sub 4}){sub 2} were measured near the phase transition temperature using a FT NMR spectrometer. The spin-lattice relaxation time, T{sub 1}, for {sup 1}H in Na{sub 3}H(SO{sub 4}){sub 2} crystals exhibits a minimum below T{sub C1} (=296 K) indicating the presence of distinct molecular motion governed by the Bloembergen-Purcell-Pound (BPP) theory. Although the results for the {sup 1}H and {sup 23}Na relaxation times provide no evidence of the phase transition at T{sub C1}, the separation of the {sup 23}Na resonance lines changes abruptly at T{sub C1}. The phase transition at 296 K produces a change in the separation of the Na resonance line that is associated with a change in the atomic positions in the vicinity of the Na ions. Also, the nuclear spin-lattice relaxation process in Na{sub 3}H(SO{sub 4}){sub 2} crystals with the electric-quadrupole-type interaction proceed via Raman process. These results are compared with those obtained for other M{sub 3}H(SO{sub 4}){sub 2} (M=K, Rb, and Cs) crystals, which have similar hydrogen-bonded structures.

High-pressure behavior of α-boron studied on single crystals by X-ray diffraction, Raman and IR spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Chuvashova, Irina, E-mail: irina.chuvashova@gmail.com [Material Physics and Technology at Extreme Conditions, Laboratory of Crystallography, University of Bayreuth, D-95440 Bayreuth (Germany); Bayerisches Geoinstitut, University of Bayreuth, D-95440 Bayreuth (Germany); Bykova, Elena; Bykov, Maxim [Bayerisches Geoinstitut, University of Bayreuth, D-95440 Bayreuth (Germany); Svitlyk, Volodymyr [European Synchrotron Radiation Facility, BP 220, F-38043 Grenoble Cedex (France); Gasharova, Biliana [Institute for Photon Science and Synchrotron Radiation, Karlsruhe Institute of Technology, P.O. Box 3640, 76021 Karlsruhe (Germany); IBPT, Karlsruhe Institute of Technology, P.O. Box 3640, 76021 Karlsruhe (Germany); Mathis, Yves-Laurent [ANKA Synchrotron Radiation Facility, Karlsruhe Institute of Technology, P.O. Box 3640, 76021 Karlsruhe (Germany); IBPT, Karlsruhe Institute of Technology, P.O. Box 3640, 76021 Karlsruhe (Germany); Caracas, Razvan [CNRS, Laboratoire de Géologie de Lyon, ENS de Lyon, UCBL Lyon 1, Université de Lyon (France); Dubrovinsky, Leonid [Bayerisches Geoinstitut, University of Bayreuth, D-95440 Bayreuth (Germany); Dubrovinskaia, Natalia [Material Physics and Technology at Extreme Conditions, Laboratory of Crystallography, University of Bayreuth, D-95440 Bayreuth (Germany)

2017-01-15

In the present study single crystals of rhombohedral α-B were investigated under pressure to 60 GPa by means of single-crystal X-ray diffraction. The bulk modulus of α-B was found to be K=224(7) GPa (K′=3.0(3)). Measurements of interatomic distances as a function of pressure revealed that the intericosahedral two-center two-electron (2c–2e) bonds are almost as stiff as some of intraicosahedral ones. The three-center two-electron (3c–2e) intericosahedral bonds show much higher compliance compared to other bonds in α-B. The vibrational properties of α-B under pressure were investigated by Raman spectroscopy at pressures up to 160 GPa and IR spectroscopy at pressures up to 53 GPa. - Graphical abstract: The rhombohedral α-B is highly incompressible and extremely stable: it maintains its crystal structure up to 160 GPa and its intericosahedral 2e2c bonds are almost as stiff as some of intraicosahedral ones. - Highlights: • Structural stability of α-B has been investigated up to 160 GPa on single crystals. • Single-crystal x-ray diffraction reveals that α-B is highly incompressible. • Compressibility of B{sub 12} icosahedra is considerably lower than that of the bulk material. • Intericosahedral 2e2c bonds are almost as stiff as some of intraicosahedral ones.

Steady-state crack growth in single crystals under Mode I loading

DEFF Research Database (Denmark)

Juul, Kristian Jørgensen; Nielsen, Kim Lau; Niordson, Christian Frithiof

2017-01-01

The active plastic zone that surrounds the tip of a sharp crack growing under plane strain Mode I loading conditions at a constant velocity in a single crystal is studied. Both the characteristics of the plastic zone and its effect on the macroscopic toughness is investigated in terms of crack tip...... that the largest shielding effect develops in HCP crystals, while the lowest shielding exists for FCC crystals. Rate-sensitivity is found to affect the plastic zone size, but the characteristics overall remain similar for each individual crystal structure. An increasing rate-sensitivity at low crack velocities...... shielding due to plasticity (quantified by employing the Suo, Shih, and Varias set-up). Three single crystals (FCC, BCC, HCP) are modelled in a steady-state elastic visco-plastic framework, with emphasis on the influence of rate-sensitivity and crystal structures. Distinct velocity discontinuities...

Encapsulation of nanoparticles into single-crystal ZnO nanorods and microrods

Directory of Open Access Journals (Sweden)

Jinzhang Liu

2014-04-01

Full Text Available One-dimensional single crystal incorporating functional nanoparticles of other materials could be an interesting platform for various applications. We studied the encapsulation of nanoparticles into single-crystal ZnO nanorods by exploiting the crystal growth of ZnO in aqueous solution. Two types of nanodiamonds with mean diameters of 10 nm and 40 nm, respectively, and polymer nanobeads with size of 200 nm have been used to study the encapsulation process. It was found that by regrowing these ZnO nanorods with nanoparticles attached to their surfaces, a full encapsulation of nanoparticles into nanorods can be achieved. We demonstrate that our low-temperature aqueous solution growth of ZnO nanorods do not affect or cause degradation of the nanoparticles of either inorganic or organic materials. This new growth method opens the way to a plethora of applications combining the properties of single crystal host and encapsulated nanoparticles. We perform micro-photoluminescence measurement on a single ZnO nanorod containing luminescent nanodiamonds and the spectrum has a different shape from that of naked nanodiamonds, revealing the cavity effect of ZnO nanorod.

Facile growth of a single-crystal pattern: a case study of HKUST-1.

Science.gov (United States)

Li, Shaozhou; Lu, Guang; Huang, Xiao; Li, Hai; Sun, Yinghui; Zhang, Hua; Chen, Xiaodong; Huo, Fengwei

2012-12-18

In order to fabricate metal-organic framework (MOF) based devices, it is desirable to precisely position high-quality and mono-sized MOF crystals on supports. In this work, we demonstrate a facile solution procedure for the fabrication of oriented and monodispersed single-crystal MOF pattern. We expect that such capability will expand the scope of applications of MOFs to advanced fields.

Hopping conduction in gamma-irradiated InSe and InSe:Sn single crystals

International Nuclear Information System (INIS)

MUSTAFAEVA, S.N.; ISMAILOV, A.A.; ASADOV, M.M.

2010-01-01

Full text : The semiconductive InSe layer compound is characterized by a strong covalent bond inside the layers and a weak Van der Waals bonding between them. It was shown that across the layers of InSe single crystals at low temperatures (T ≤ 200 K) at direct current (dc) hopping conduction through localized states near the Fermi level takes place. The results of dc-conductivity of gamma-irradiated p-InSe and n-InSe : Sn layer single crystals have been presented in this work. ρ-InSe single crystal specimens grown by the Bridgman method were used in the experiments. Plates of the crystals under study were obtained by cleaving along the layers of single crystal ingots. The single-crystal InSe samples for electric measurements had the form of planar capacitors normal to the C axis of the crystals, with silver-paste electrodes. The thickness of the InSe samples was 300 mkm. Co 60 serves as the source of irradiation with energy of gamma-quantum equal to 1.3 MeV. The electric properties of non-irradiated and gamma-irradiated InSe crystals were measured under the same conditions. It is revealed that InSe and InSe : Sn (0.2 and 0.4 mole percent Sn) single crystals exhibit a variable range hopping conduction along a normal to their natural layers at temperatures T≤200 K in a dc electric field. From experimental data the parameters of localized states of p-InSe and n-InSe : Sn were calculated before and after gamma-irradiation. It is revealed that gamma-irradiation of p-InSe and n-InSe : Sn (0.2 and 0.4 mole percent Sn) single crystals leads to significant change of localized states parameters. After gamma-irradiation the density of states near the Fermi level increased, but their energy spread and the average jump distance decreased. The concentrations of radiated defects were estimated in p-InSe (5.18*10 1 7 sm - 3) and n-InSe : Sn (2.5*10 1 7 - 2.7*10 1 8 sm - 3) single crystals. The present results demonstrate that gamma-irradiation offers the possibility of tuning

Study of the effect of doping on the temperature stability of the optical properties of germanium single crystals

Energy Technology Data Exchange (ETDEWEB)

Podkopaev, O. I. [Joint-Stock Company “Germanium” (Russian Federation); Shimanskiy, A. F., E-mail: shimanaf@mail.ru [Siberian Federal University (Russian Federation); Kopytkova, S. A.; Filatov, R. A. [Joint-Stock Company “Germanium” (Russian Federation); Golubovskaya, N. O. [Siberian Federal University (Russian Federation)

2016-10-15

The effect of doping on the optical transmittance of germanium single crystals is studied by infrared Fourier spectroscopy. It is established that the introduction of silicon and tellurium additives into germanium doped with antimony provides a means for improving the temperature stability of the optical properties of the crystals.

Study of the effect of doping on the temperature stability of the optical properties of germanium single crystals

International Nuclear Information System (INIS)

Podkopaev, O. I.; Shimanskiy, A. F.; Kopytkova, S. A.; Filatov, R. A.; Golubovskaya, N. O.

2016-01-01

The effect of doping on the optical transmittance of germanium single crystals is studied by infrared Fourier spectroscopy. It is established that the introduction of silicon and tellurium additives into germanium doped with antimony provides a means for improving the temperature stability of the optical properties of the crystals.

Some double resonance and multiple quantum NMR studies in solids

Energy Technology Data Exchange (ETDEWEB)

Wemmer, D.E.

1978-08-01

The first section of this work presents the theory and experimental applications to analysis of molecular motion of chemical shielding lineshapes obtained with high resolution double resonance NMR techniques. Analysis of /sup 13/C powder lineshapes in hexamethylbenzene (HMB) and decamethylferrocene (DMFe) show that these molecules reorient in a jumping manner about the symmetry axis. Analysis of proton chemical shielding lineshapes of residual protons in heavy ice (D/sub 2/O) show that protons are exchanged among the tetrahedral positions of neighboring oxygen atoms, consistent with motion expected from defect migration. The second section describes the application of Fourier Transform Double Quantum NMR to measurement of chemical shielding of deuterium in powder samples. Studies of partially deuterated benzene and ferrocene give equal shielding anisotropies, ..delta..sigma = -6.5 ppM. Theoretical predictions and experimental measurements of dipolar couplings between deuterons using FTDQ NMR are presented. Crystals of BaClO/sub 3/.D/sub 2/O, ..cap alpha..,..beta.. d-2 HMB and ..cap alpha..,..beta..,..gamma.. d-3 HMB were studied, as were powders of d-2 HMB and anisic acid. The third section discusses general multiple quantum spectroscopy in dipolar coupled spin systems. Theoretical description is made for creation and detection of coherences between states without quantum number selection rules ..delta..m = +-1. Descriptions of techniques for partial selectivity of order in preparation and detection of multiple quantum coherences are made. The effects on selectivity and resolution of echo pulses during multiple quantum experiments are discussed. Experimental observation of coherences up to order 6 have been made in a sample of benzene dissolved in a liquid crystal. Experimental verifications of order selection and echo generation have been made.

In-situ TEM study of dislocation patterning during deformation in single crystal aluminum

International Nuclear Information System (INIS)

Landau, P; Shneck, R Z; Makov, G; Venkert, A

2010-01-01

The evolution of dislocation patterns in single crystal aluminum was examined using transmission electron microscopy (TEM). In-situ tensile tests of single crystals were carried out in a manner that activated double slip. Cross slip of dislocations, which is prominent in all stages of work hardening, plays an important role in dislocation motion and microstructural evolution. In spite of the limitations of in-situ straining to represent bulk phenomena, due to surface effects and the thickness of the samples, it is shown that experiments on prestrained samples can represent the early stages of deformation. Transition between stage I and stage II of work hardening and evolution during stage III were observed.

LASER PROCESSING ON SINGLE CRYSTALS BY UV PULSE LASER

OpenAIRE

龍見, 雅美; 佐々木, 徹; 高山, 恭宜

2009-01-01

Laser processing by using UV pulsed laser was carried out on single crystal such as sapphire and diamond in order to understand the fundamental laser processing on single crystal. The absorption edges of diamond and sapphire are longer and shorter than the wave length of UV laser, respectively. The processed regions by laser with near threshold power of processing show quite different state in each crystal.

Synthesis, growth, structural, optical, thermal, electrical and mechanical properties of hydrogen bonded organic salt crystal: Triethylammonium-3, 5-dinitrosalicylate

Science.gov (United States)

Rajkumar, Madhu; Chandramohan, Angannan

2017-04-01

Triethylammonium-3, 5-dinitrosalicylate, an organic salt was synthesized and single crystals grown by slow solvent evaporation solution growth technique using methanol as a solvent. The presence of various functional groups and mode of vibrations has been confirmed by FT-IR spectroscopic technique. The UV-vis-NIR Spectrum was recorded in the range 200-1200 nm to find optical transmittance window and lower cut off wavelength of the title crystal. The formation of the salt and the molecular structure was confirmed by NMR spectroscopic technique. Crystal system, crystalline nature, cell parameters and hydrogen bonding interactions of the grown crystal were determined by single crystal x-ray diffraction analysis. The thermal characteristics of grown crystal were analyzed by thermo gravimetric and differential thermal analyses. Dielectric studies were carried out to study the distribution of charges within the crystal. The mechanical properties of the title crystal were studied by Vicker's microhardness technique.

A single-board NMR spectrometer based on a software defined radio architecture

International Nuclear Information System (INIS)

Tang, Weinan; Wang, Weimin

2011-01-01

A single-board software defined radio (SDR) spectrometer for nuclear magnetic resonance (NMR) is presented. The SDR-based architecture, realized by combining a single field programmable gate array (FPGA) and a digital signal processor (DSP) with peripheral radio frequency (RF) front-end circuits, makes the spectrometer compact and reconfigurable. The DSP, working as a pulse programmer, communicates with a personal computer via a USB interface and controls the FPGA through a parallel port. The FPGA accomplishes digital processing tasks such as a numerically controlled oscillator (NCO), digital down converter (DDC) and gradient waveform generator. The NCO, with agile control of phase, frequency and amplitude, is part of a direct digital synthesizer that is used to generate an RF pulse. The DDC performs quadrature demodulation, multistage low-pass filtering and gain adjustment to produce a bandpass signal (receiver bandwidth from 3.9 kHz to 10 MHz). The gradient waveform generator is capable of outputting shaped gradient pulse waveforms and supports eddy-current compensation. The spectrometer directly acquires an NMR signal up to 30 MHz in the case of baseband sampling and is suitable for low-field (<0.7 T) application. Due to the featured SDR architecture, this prototype has flexible add-on ability and is expected to be suitable for portable NMR systems

Types of defect ordering in undoped and lanthanum-doped Bi2201 single crystals

International Nuclear Information System (INIS)

Martovitsky, V. P.

2006-01-01

Undoped and lanthanum-doped Bi2201 single crystals having a perfect average structure have been comparatively studied by x-ray diffraction. The undoped Bi2201 single crystals exhibit very narrow satellite reflections; their half-width is five to six times smaller than that of Bi2212 single crystals grown by the same technique. This narrowness indicates three-dimensional defect ordering in the former crystals. The lanthanumdoped Bi2201 single crystals with x = 0.7 and T c = 8-10 K exhibit very broad satellite reflections consisting of two systems (modulations) misoriented with respect to each other. The modulation-vector components of these two modulations are found to be q 1 = 0.237b* + 0.277c* and q 2 = 0.238b* + 0.037c*. The single crystals having a perfect average structure and a homogeneous average distribution of doping lanthanum consist of 70-to 80-A-thick layers that alternate along the c axis and have two different types of modulated superlattice. The crystals having a less perfect average structure also consist of alternating layers, but they have different lanthanum concentrations. The low value of T c in the undoped Bi2201 single crystals (9.5 K) correlates with three-dimensional defect ordering in them, and an increase in T c to 33 K upon lanthanum doping can be related to a thin-layer structure of these crystals and to partial substitution of lanthanum for the bismuth positions

Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes.

Science.gov (United States)

Stevens, Joanna S; Byard, Stephen J; Seaton, Colin C; Sadiq, Ghazala; Davey, Roger J; Schroeder, Sven L M

2014-01-21

The properties of nitrogen centres acting either as hydrogen-bond or Brønsted acceptors in solid molecular acid-base complexes have been probed by N 1s X-ray photoelectron spectroscopy (XPS) as well as (15)N solid-state nuclear magnetic resonance (ssNMR) spectroscopy and are interpreted with reference to local crystallographic structure information provided by X-ray diffraction (XRD). We have previously shown that the strong chemical shift of the N 1s binding energy associated with the protonation of nitrogen centres unequivocally distinguishes protonated (salt) from hydrogen-bonded (co-crystal) nitrogen species. This result is further supported by significant ssNMR shifts to low frequency, which occur with proton transfer from the acid to the base component. Generally, only minor chemical shifts occur upon co-crystal formation, unless a strong hydrogen bond is formed. CASTEP density functional theory (DFT) calculations of (15)N ssNMR isotropic chemical shifts correlate well with the experimental data, confirming that computational predictions of H-bond strengths and associated ssNMR chemical shifts allow the identification of salt and co-crystal structures (NMR crystallography). The excellent agreement between the conclusions drawn by XPS and the combined CASTEP/ssNMR investigations opens up a reliable avenue for local structure characterization in molecular systems even in the absence of crystal structure information, for example for non-crystalline or amorphous matter. The range of 17 different systems investigated in this study demonstrates the generic nature of this approach, which will be applicable to many other molecular materials in organic, physical, and materials chemistry.

Growth and dielectric, mechanical, thermal and etching studies of an organic nonlinear optical L-arginine trifluoroacetate (LATF) single crystal

International Nuclear Information System (INIS)

Arjunan, S.; Mohan Kumar, R.; Mohan, R.; Jayavel, R.

2008-01-01

L-arginine trifluoroacetate, an organic nonlinear optical material, has been synthesized from aqueous solution. Bulk single crystal of dimension 57 mm x 5 mm x 3 mm has been grown by temperature lowering technique. Powder X-ray diffraction studies confirmed the monoclinic structure of the grown L-arginine trifluoroacetate crystal. Linear optical property of the grown crystal has been studied by UV-vis spectrum. Dielectric response of the L-arginine trifluoroacetate crystal was analysed for different frequencies and temperatures in detail. Microhardness study on the sample reveals that the crystal possesses relatively higher hardness compared to many organic crystals. Thermal analyses confirmed that the L-arginine trifluoroacetate material is thermally stable upto 212 deg. C. The etching studies have been performed to assess the perfection of the L-arginine trifluoroacetate crystal. Kurtz powder second harmonic generation test confirms the nonlinear optical properties of the as-grown L-arginine trifluoroacetate crystal

Cryogenic motion performances of a piezoelectric single crystal micromotor

Science.gov (United States)

Li, Xiaotian; Wu, Yuting; Chen, Zhijiang; Wei, Xiaoyong; Luo, Haosu; Dong, Shuxiang

2014-04-01

This study investigates the cryogenic performances of a millimeter-size piezoelectric ultrasonic linear micromotor. The piezoelectric vibrator of the micromotor is made of Pb(In1/2Nb1/2)O3 -Pb(Mg1/3Nb2/3)-PbTiO3 single crystal and operated in first-bending wobbling mode. Experiments show that the piezoelectric single crystal micromotor works effectively even at extremely low temperature of -175 °C, although its resonance peaks vary with temperature significantly. This work confirms the feasibility of cryogenic operation of the piezo-micromotor, which is meaningful for aerospace or superconducting microwave application.

Tracer diffusion studies of 26Mg, 30Si and 18O in single crystal forsterite (Mg2SiO4) and of 18O in single crystal SiO2

International Nuclear Information System (INIS)

Schachtner, R.

1981-01-01

Tracer diffusion coefficients of Mg, Si and O in monocrystalline forsterite were determined by Sims as a function of temperature and crystal orientation. Former results on oxygen diffusion in SiO 2 single crystals using nuclear activation methods were confirmed by Sims data. The influence of crystal defects and impurities is discussed. (TW)

Dynamic Actuation of Single-Crystal Diamond Nanobeams

OpenAIRE

Sohn, Young-Ik; Burek, Michael J.; Kara, Vural; Kearns, Ryan; Lončar, Marko

2014-01-01

We show the dielectrophoretic actuation of single-crystal diamond nanomechanical devices. Gradient radio-frequency electromagnetic forces are used to achieve actuation of both cantilever and doubly clamped beam structures, with operation frequencies ranging from a few MHz to ~50MHz. Frequency tuning and parametric actuation are also studied.

Growth Aspects, Structural and Optical Properties of 2-aminopyridinium 2,4 Dinitrophenolate Single Crystal

Directory of Open Access Journals (Sweden)

S. Reena Devi

2017-06-01

Full Text Available Organic single crystal of 2-aminopyridinium 2,4-dinitrophenolate single crystal was grown by slow evaporation technique. The cell parameters and space group (P were determined from single X-ray diffraction analysis. HRXRD studies ascertained the crystalline quality. UV-Visible and PL spectral studies revealed the emission in red region, transparency (75% cutoff wavelength around 440 nm respectively. The laser damage threshold of grown crystal was estimated by using Nd:YAG laser beam and these results were mutually related with specific heat capacity of the grown crystal. The third-order nonlinear optical parameters were estimated by Z-scan technique which is useful for optical applications.

Synthesis, growth, physicochemical properties and DFT calculations of 2-naphthol substituted Mannich base 1-(morpholino(phenyl) methyl) naphthalen-2-ol: A non linear optical single crystal

Science.gov (United States)

Dennis Raj, A.; Jeeva, M.; Shankar, M.; Venkatesa Prabhu, G.; Vimalan, M.; Vetha Potheher, I.

2017-11-01

2-Naphthol substituted Mannich base 1-morpholino(phenyl)methyl)naphthalen-2-ol (MPMN), a potential NLO active organic single crystal was developed using acetonitrile as a solvent by slow evaporation method. The experimental and theoretical analysis made towards the exploitation in the field of electro-optic and NLO applications. The cubic structure with non-centrosymmetric space group Cc was confirmed and cell dimensions of the grown crystal were obtained from single crystal X-ray diffraction (XRD) study. The formation of the Csbnd Nsbnd C vibrational band at 1115 cm-1 in Fourier Transform Infra-Red (FTIR) analysis confirms the formation of MPMN compound. The placement of protons and carbons of MPMN were identified from Nuclear Magnetic Resonance Spectroscopy (NMR) analysis. The wide optical absorption window and the lower cutoff wavelength of MPMN show the suitability of the material for the various laser related applications. The presence of dislocations and growth pattern of crystal were analyzed using chemical etching technique. The Second Harmonic Generation (SHG) of MPMN was found to be 1.57 times greater than the standard KDP crystal. The laser damage threshold was measured by using Nd: YAG laser beam passed through the sample and it was found to be 1.006 GW/cm2. The electronic structure of the molecular system and the optical properties were also studied from quantum chemical calculations using Density Functional Theory (DFT) and reported for the first time.

Crystal growth and mechanical hardness of In{sub 2}Se{sub 2.7}Sb{sub 0.3} single crystal

Energy Technology Data Exchange (ETDEWEB)

Patel, Piyush, E-mail: piyush-patel130@yahoo.com; Vyas, S. M., E-mail: s-m-vyas-gu@hotmail.com; Patel, Vimal; Pavagadhi, Himanshu [Department of Physics, School of Science, Gujarat University, Ahmedabad, Gujarat, India-380009 (India); Solanki, Mitesh [panditdindayal Petroleum University, Gandhinagar. Gujarat (India); Jani, Maunik P. [BITS Edu Campus, Varnama, Vadodara, Gujarat (India)

2015-08-28

The III-VI compound semiconductors is important for the fabrication of ionizing radiation detectors, solid-state electrodes, and photosensitive heterostructures, solar cell and ionic batteries. In this paper, In{sub 2}Se{sub 2.7} Sb{sub 0.3} single crystals were grown by the Bridgman method with temperature gradient of 60 °C/cm and the growth velocity 0.5cm/hr. The as-grown crystals were examined under the optical microscope for surface study, a various growth features observed on top free surface of the single crystal which is predominant of layers growth mechanism. The lattice parameters of as-grown crystal was determined by the XRD analysis. A Vickers’ projection microscope were used for the study of microhardness on the as-cleaved, cold-worked and annealed samples of the crystals, the results were discussed, and reported in detail.

Scattering Study of Conductive-Dielectric Nano/Micro-Grained Single Crystals Based on Poly(ethylene glycol, Poly(3-hexyl thiophene and Polyaniline

Directory of Open Access Journals (Sweden)

Samira Agbolaghi

2017-12-01

Full Text Available Two types of rod-coil block copolymers including poly(3-hexylthiophene-block-poly(ethylene glycol (P3HT-b-PEG and PEG-block-polyaniline (PANI were synthesized using Grignard metathesis polymerization, Suzuki coupling, and interfacial polymerization. Afterward, two types of single crystals were grown by self-seeding methodology to investigate the coily and rod blocks in grafted brushes and ordered crystalline configurations. The conductive P3HT fibrillar single crystals covered by the dielectric coily PEG oligomers were grown from toluene, xylene, and anisole, and characterized by atomic force microscopy (AFM and grazing wide angle X-ray scattering (GIWAXS. Longer P3HT backbones resulted in folding, whereas shorter ones had a high tendency towards backbone lamination. The effective factors on folding of long P3HT backbones in the single crystal structures were the solvent quality and crystallization temperature. Better solvents due to decelerating the growth condition led to a higher number of foldings. Via increasing the crystallization temperature, the system decreased the folding number to maintain its stability. Poorer solvents also reflected a higher stacking in hexyl side chain and π-π stacking directions. The dielectric lamellar PEG single crystals sandwiched between the PANI nanorods were grown from amyl acetate, and analyzed using the interface distribution function (IDF of SAXS and AFM. The molecular weights of PANI and PEG blocks and crystallization temperature were focused while studying the grown single crystals.

Experimental study of single-vertex $(e^{-}-e^{+})$ pair creation in a crystal

CERN Multimedia

2002-01-01

This experiment will study the newly predicted process of $e^{-}-e^{+}$ pair production by high energy photons incident along major axial direction of a single crystal. This process is based upon the well-known channeling properties of negatively charged particles along atomic rows of a crystal. The $e^{-}-e^{+}$ pair creation may proceed in a one-step process, without violating energy and momentum conversation laws, due to the lowering of the total energy of the channeled electron (Fig. 1). \\\\ \\\\ The pair creation rate should increase with increasing photon energies (above a threshold of a few GeV) and largely exceed the Bethe-Heitler process rate for photon energies of a few tens of GeV. It is also expected that the created particles share the photon energy nearly equally, in contrast with the rather flat energy distribution associated with the Bethe-Heitler process. \\\\ \\\\ The experimental set-up (Fig. 2) is designed for the study of those two features: photon energy dependence of the pair creation rate, an...

Bulk crystal growth and their effective third order nonlinear optical properties of 2-(4-fluorobenzylidene) malononitrile (FBM) single crystal

Science.gov (United States)

Priyadharshini, A.; Kalainathan, S.

2018-04-01

2-(4-fluorobenzylidene) malononitrile (FBM), an organic third order nonlinear (TONLO) single crystal with the dimensions of 32 × 7 × 11 mm3, has been successfully grown in acetone solution by slow evaporation technique at 35 °C. The crystal system (triclinic), space group (P-1) and crystalline purity of the titular crystal were measured by single crystal and powder X-ray diffraction, respectively. The molecular weight and the multiple functional groups of the FBM material were confirmed through the mass and FT-IR spectral analysis. UV-Vis-NIR spectral study enroles that the FBM crystal exhibits excellent transparency (83%) in the entire visible and near infra-red region with a wide bandgap 2.90 eV. The low dielectric constant (εr) value of FBM crystal is appreciable for microelectronics industry applications. Thermal stability and melting point (130.09 °C) were ascertained by TGA-DSC analysis. The laser-induced surface damage threshold (LDT) value of FBM specimen is found to be 2.14 GW/cm2, it is fairly good compared to other reported NLO crystals. The third - order nonlinear optical character of the FBM crystal was confirmed through the typical single beam Z-scan technique. All these finding authorized that the organic crystal of FBM is favorably suitable for NLO applications.

Electrical transport properties study of Mo{sub 0.6}W{sub 0.4}Se{sub 2} single crystals

Energy Technology Data Exchange (ETDEWEB)

Chaki, Sunil; Deshpande, M. P.; Tailor, J. P.; Chaudhary, M. D.; Sakaria, Pallavi N. [Department of Physics, Sardar Patel University, Vallabh Vidyanagar, Gujarat-388120 (India)

2012-06-05

The mixed transition metal dichalcogenide single crystals Mo{sub 0.6}W{sub 0.4}Se{sub 2} were characterized employing EDAX (Energy Dispersive Analysis of X-ray), (XRD) X-ray diffraction, SEM (Scanning Electron Microscope) and UV-Vis-NIR spectroscopy techniques. The electrical transport properties of as-grown Mo{sub 0.6}W{sub 0.4}Se{sub 2} single crystals were studied by two probe d. c. resistivity, Hall Effect and thermoelectric power measurement set-up. The obtained results are discussed in details.

Synthesis, crystal structure, Hirshfeld surfaces analysis and anti-ischemic activity of cinnamide derivatives

Science.gov (United States)

Zhong, Jian-gang; Han, Jia-pei; Li, Xiao-feng; Xu, Yi; Zhong, Yan; Wu, Bin

2018-02-01

Two cinnamide derivatives, namely, (E)-1-(4-(bis(4-methylphenyl)- methyl)piperazin-1-yl)-3-(3,4-diethoxyphenyl)prop-2-en-1-one (5) and (E)-1-(4-(bis- (4-fluorophenyl)methyl)piperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one (6), have been synthesized and characterized by IR spectra, High resolution mass spectra, 1H NMR spectra, 13C NMR spectra. The compound 5 is a novel compound and has never been reported in the literature. Their crystal structures were studied by single-crystal X-ray diffraction. They all crystallize in the monoclinic system. The single-crystal X-ray revealed that compound 5 has infinite X-shaped 1-D polymeric chains structure and compound 6 has a layered 3-D structure by intermolecular interactions. Hirshfeld surface analysis demonstrated the presence of H⋯H, O⋯H, C⋯H, F⋯H, Csbnd H⋯π and π⋯π intermolecular interactions. In addition, the MTT assay results indicated that the compounds 5 and 6 display effective activities against neurotoxicity which is induced by glutamine in PC12 cells. The in vivo experiment indicated that the compound 6 has a good protective effect on cerebral infarction.

Deuterium and lithium-6 MAS NMR studies of manganese oxide electrode materials

Science.gov (United States)

Paik, Younkee

Electrolytic manganese dioxide (EMD) is used world wide as the cathode materials in both lithium and alkaline primary (non-rechargeable) batteries. We have developed deuterium and lithium MAS NMR techniques to study EMD and related manganese oxides and hydroxides, where diffraction techniques are of limited value due to a highly defective nature of the structures. Deuterons in EMD, manganite, groutite, and deuterium-intercalated pyrolusite and ramsdellite were detected by NMR, for the first time, and their locations and motions in the structures were analyzed by applying variable temperature NMR techniques. Discharge mechanisms of EMD in alkaline (aqueous) electrolytes were studied, in conjunction with step potential electrochemical spectroscopic (SPECS) method, and five distinctive discharge processes were proposed. EMD is usually heat-treated at about 300--400°C to remove water to be used in lithium batteries. Details of the effects of heat-treatment, such as structural and compositional changes as a function of heat-treatment temperature, were studied by a combination of MAS NMR, XRD, and thermogravimetric analysis. Lithium local environments in heat-treated EMD (HEMD) that were discharged in lithium cells, were described in terms of related environments found in model compounds pyrolusite and ramsdellite where specific Li + sites were detected by MAS NMR and the hyperfine shift scale method of Grey et al. Acid-leaching of Li2MnO3 represents an approach for synthesizing new or modified manganese oxide electrode materials for lithium rechargeable batteries. Progressive removal of lithium from specific crystallographic sites, followed by a gradual change of the crystal structure, was monitored by a combination of NMR and XRD techniques.

Synthesis and structural characterization of bulk Sb2Te3 single crystal

Science.gov (United States)

Sultana, Rabia; Gahtori, Bhasker; Meena, R. S.; Awana, V. P. S.

2018-05-01

We report the growth and characterization of bulk Sb2Te3 single crystal synthesized by the self flux method via solid state reaction route from high temperature melt (850˚C) and slow cooling (2˚C/hour) of constituent elements. The single crystal X-ray diffraction pattern showed the 00l alignment and the high crystalline nature of the resultant sample. The rietveld fitted room temperature powder XRD revealed the phase purity and rhombohedral structure of the synthesized crystal. The formation and analysis of unit cell structure further verified the rhombohedral structure composed of three quintuple layers stacked one over the other. The SEM image showed the layered directional growth of the synthesized crystal carried out using the ZEISS-EVOMA-10 scanning electron microscope The electrical resistivity measurement was carried out using the conventional four-probe method on a quantum design Physical Property Measurement System (PPMS). The temperature dependent electrical resistivity plot for studied Sb2Te3 single crystal depicts metallic behaviour in the absence of any applied magnetic field. The synthesis as well as the structural characterization of as grown Sb2Te3 single crystal is reported and discussed in the present letter.

Facile synthesis, single crystal analysis, and computational studies of sulfanilamide derivatives

Science.gov (United States)

Tahir, Muhammad Nawaz; Khalid, Muhammad; Islam, Ayesha; Ali Mashhadi, Syed Muddassir; Braga, Ataualpa A. C.

2017-01-01

Antibacterial resistance is a worldwide problem. Sulfanilamide is widely used antibacterial. For the first time, we report here a simple method for the derivative synthesis of the title drugs, single crystal XRD and density functional theory (DFT) studies. The optimized molecular structure, natural bond orbital (NBO), frontier molecular orbitals (FMOs) molecular electrostatic potential studies (MEP) and Mulliken population analysis (MPA) have been performed using M06-2X/6-31G(d, p). The FT-IR spectra and thermodynamic parameters were calculated at M06-2X/6-311 + G(2d,p) and B3LYP/6-31G(d, p) levels respectively, while, the UV-Vis analysis was performed using TD-DFT/B3LYP/6-31G(d, p) method. The experimental FT-IR spectra of both compounds were also carried out to reconfirm sbnd H⋯Osbnd hydrogen bonds. The DFT optimized parameters exhibiting good agreement with the experimental data. NBO analysis explored the hyper conjugative interaction and stability of title crystals, especially, reconfirmed the existence of sbnd H⋯Osbnd hydrogen bonds between the dimers. The FT-IR, thermodynamic parameters, MEP and MPA also revealed the hydrogen bonding detail is harmonious to XRD data. As a matter of the fact, the hydrogen bonding is a significant parameter for the understanding and design of molecular crystals, subsequently; it can also play a vital role in the supramolecular chemistry. Moreover, the global reactivity descriptors suggest that title compounds might be bioactive.

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.

Dielectric and baric characteristics of TlS single crystal

Energy Technology Data Exchange (ETDEWEB)

Mustafaeva, S.N., E-mail: solmust@gmail.com [Institute of Physics, ANAS, G. Javid prosp. 33, Az 1143 Baku (Azerbaijan); Asadov, M.M. [Institute of Chemical Problems, ANAS, G. Javid prosp. 29, Az 1143 Baku (Azerbaijan); Ismailov, A.A. [Institute of Physics, ANAS, G. Javid prosp. 33, Az 1143 Baku (Azerbaijan)

2014-11-15

The investigation of the frequency dependences of the dielectric coefficients and ac-conductivity of the TlS single crystals made it possible to elucidate the nature of dielectric loss and the charge transfer mechanism. Moreover, we evaluated the density and energy spread of localized states near the Fermi level, the average hopping time and the average hopping length. It was shown that the dc-conductivity of the TlS single crystals can be controlled by varying the hydrostatic pressure. This has opened up possibilities for using TlS single crystals as active elements of pressure detectors.

Neutron transmission of single-crystal sapphire filters

International Nuclear Information System (INIS)

Adib, M.; Kilany, M.; Habib, N.; Fathallah, M.

2005-01-01

An additive formula is given that permits the calculation of the nuclear capture, thermal diffuse and Bragg scattering cross-sections as a function of sapphire temperature and crystal parameters. We have developed a computer program that allows calculations of the thermal neutron transmission for the sapphire rhombohedral structure and its equivalent trigonal structure. The calculated total cross-section values and effective attenuation coefficient for single-crystalline sapphire at different temperatures are compared with measured values. Overall agreement is indicated between the formula fits and experimental data. We discuss the use of sapphire single crystal as a thermal neutron filter in terms of the optimum crystal thickness, mosaic spread, temperature, cutting plane and tuning for efficient transmission of thermal-reactor neutrons. (author)

Stacking fault tetrahedron induced plasticity in copper single crystal

Energy Technology Data Exchange (ETDEWEB)

Zhang, Liang, E-mail: lz592@uowmail.edu.au [School of Mechanical, Materials and Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522 (Australia); Lu, Cheng, E-mail: chenglu@uow.edu.au [School of Mechanical, Materials and Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522 (Australia); Tieu, Kiet; Su, Lihong; Zhao, Xing [School of Mechanical, Materials and Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522 (Australia); Pei, Linqing [Department of Mechanical Engineering, Chongqing University, Chongqing 400044 (China)

2017-01-05

Stacking fault tetrahedron (SFT) is the most common type of vacancy clustered defects in fcc metals and alloys, and can play an important role in the mechanical properties of metallic materials. In this study, molecular dynamics (MD) simulations were carried out to investigate the incipience of plasticity and the underlying atomic mechanisms in copper single crystals with SFT. Different deformation mechanisms of SFT were reported due to the crystal orientations and loading directions (compression and tension). The results showed that the incipient plasticity in crystals with SFT resulted from the heterogeneous dislocation nucleation from SFT, so the stress required for plastic deformation was less than that needed for perfect single crystals. Three crystal orientations ([1 0 0], [1 1 0] and [1 1 1]) were specified in this study because they can represent most of the typical deformation mechanisms of SFT. MD simulations revealed that the structural transformation of SFT was frequent under the applied loading; a metastable SFT structure and the collapse of SFT were usually observed. The structural transformation resulted in a different reduction of yield stress in compression and tension, and also caused a decreased or reversed compression/tension asymmetry. Compressive stress can result in the unfaulting of Frank loop in some crystal orientations. According to the elastic theory of dislocation, the process of unfaulting was closely related to the size of the dislocation loop and the stacking fault energy.

Photoinduced surface voltage mapping study for large perovskite single crystals

Energy Technology Data Exchange (ETDEWEB)

Liu, Xiaojing; Liu, Yucheng; Gao, Fei; Yang, Zhou [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Laboratory for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi' an 710062 (China); Liu, Shengzhong, E-mail: liusz@snnu.edu.cn [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Laboratory for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi' an 710062 (China); Dalian Institute of Chemical Physics, iChEM, Dalian National Laboratory for Clean Energy, Chinese Academy of Sciences, Dalian 116023 (China)

2016-05-02

Using a series of illumination sources, including white light (tungsten-halogen lamp), 445-nm, 532-nm, 635-nm, and 730-nm lasers, the surface photovoltage (SPV) images were mapped for centimeter-sized CH{sub 3}NH{sub 3}PbX{sub 3} (X = Cl, Br, I) perovskite single crystals using Kelvin probe force microscopy. The significant SPV signals were observed to be wavelength-dependent. We attribute the appreciable SPV to the built-in electric field in the space charge region. This study shines light into the understanding of photoinduced charge generation and separation processes at nanoscale to help advance the development of perovskite solar cells, optoelectronics, laser, photodetector, and light-emitting diode (LED).

Magnetic phase transitions in Er7Rh3 studied on single crystals

International Nuclear Information System (INIS)

Tsutaoka, Takanori; Obata, Keisuke; Cheyvuth, Seng; Koyama, Keiichi

2014-01-01

Highlights: • Magnetic and electrical properties of Er 7 Rh 3 were studied on single crystals. • The magnetic phase diagram along the c-axis was constructed. • The field-induced magnetic transitions in Er 7 Rh 3 can be explained by the magnetic structure with two magnetic propagation vectors. • The anomalies of electrical resistivity can also be described by the magnetic structure in Er 7 Rh 3 . - Abstract: Magnetic phase transitions in Er 7 Rh 3 with the Th 7 Fe 3 type hexagonal structure have been studied on single crystals by measuring magnetization, magnetic susceptibility and electrical resistivity. Er 7 Rh 3 possesses antiferromagnetic state below T N = 13 K. In the ordered state, the two successive magnetic transitions at T t1 = 6.2 K and T t2 = 4.5 K were observed. Several field-induced magnetic transitions were also observed along the a- and c-axes below T N ; magnetic field H – temperature T phase diagram along the c-axis was constructed. The field-induced magnetic transitions in Er 7 Rh 3 can be explained by the magnetic structure with two magnetic propagation vectors which were derived by the previous neutron diffraction studies. Electrical resistivity shows humps just below the magnetic transition temperatures, T N and T t1 due to the super-zone gap formation at the Fermi level; these anomalies can also be described by the magnetic structure changes in Er 7 Rh 3

Friction stir welding of single crystal aluminium

DEFF Research Database (Denmark)

Fonda, Richard Warren; Wert, John A.; Reynolds, A.P.

2007-01-01

Friction stir welds were prepared in different orientations in an aluminium single crystal. The welds were quenched to preserve the microstructure surrounding the tool and then electron backscattered diffraction was used to reveal the generation of grain boundaries and the evolution...... of crystallographic texture around the tool in each weld. The extent of both dynamic recrystallisation and conventional recrystallisation varied considerably as a function of weld orientation. As the base plate begins to interact with the deformation field surrounding the tool, regions of the single crystal rotate...

Czochralski method of growing single crystals. State-of-art

International Nuclear Information System (INIS)

Bukowski, A.; Zabierowski, P.

1999-01-01

Modern Czochralski method of single crystal growing has been described. The example of Czochralski process is given. The advantages that caused the rapid progress of the method have been presented. The method limitations that motivated the further research and new solutions are also presented. As the example two different ways of the technique development has been described: silicon single crystals growth in the magnetic field; continuous liquid feed of silicon crystals growth. (author)

Influence of solvents on the habit modification of alpha lactose monohydrate single crystals

Science.gov (United States)

Parimaladevi, P.; Srinivasan, K.

2013-02-01

Restricted evaporation of solvent method was adopted for the growth of alpha lactose monohydrate single crystals from different solvents. The crystal habits of grown crystals were analysed. The form of crystallization was confirmed by powder x-ray diffraction analysis. Thermal behaviour of the grown crystals was studied by using differential scanning calorimetry.

Pressure-temperature phase diagram of a charge-ordered organic conductor studied by C13 NMR

Science.gov (United States)

Itou, T.; Miyagawa, K.; Nakamura, J.; Kanoda, K.; Hiraki, K.; Takahashi, T.

2014-07-01

We performed C13 NMR measurements on the quasi-one-dimensional (Q1D) charge-ordered system (DI-DCNQI)2Ag under ambient and applied pressure to clarify the pressure-temperature phase diagram. For pressures up to 15 kbar, the NMR spectra exhibit complicated splitting at low temperatures, indicating a "generalized 3D Wigner crystal" state. In this pressure region, we find that increased pressure causes a decrease in the charge disproportionation ratio, along with a decrease in the transition temperature of the generalized 3D Wigner crystal. In the high-pressure region, near 20 kbar, where a 1D confined liquid crosses over to a 3D Fermi liquid at high temperatures, the ground state is replaced by a nonmagnetic insulating state that is qualitatively different from the generalized 3D Wigner crystal.

Polarized Raman scattering study of PSN single crystals and epitaxial thin films

Directory of Open Access Journals (Sweden)

J. Pokorný

2015-06-01

Full Text Available This paper describes a detailed analysis of the dependence of Raman scattering intensity on the polarization of the incident and inelastically scattered light in PbSc0.5Nb0.5O3 (PSN single crystals and epitaxially compressed thin films grown on (100-oriented MgO substrates. It is found that there are significant differences between the properties of the crystals and films, and that these differences can be attributed to the anticipated structural differences between these two forms of the same material. In particular, the scattering characteristics of the oxygen octahedra breathing mode near 810 cm-1 indicate a ferroelectric state for the crystals and a relaxor state for the films, which is consistent with the dielectric behaviors of these materials.

Annealing behavior of solution grown polyethylene single crystals

NARCIS (Netherlands)

Loos, J.; Tian, M.

2006-01-01

The morphology evolution of solution grown polyethylene single crystals has been studied upon annealing below their melting temperature by using atomic force microscopy (AFM). AFM investigations have been performed ex situ, which means AFM investigations at room temperature after the annealing

Comparative study of the creep behaviour of single crystals and polycrystals of alpha uranium

International Nuclear Information System (INIS)

Andre, J.P.

1964-03-01

In the first chapter, one describes the creep machine developed to study the deformation of uranium at high temperature in vacuum with a continuous recording. The second chapter presents the results concerning the polycrystals of uranium. The application of the DORN method gives an activation energy for creep of 42 ± 2 Kc, above 550 Celsius degrees, equal to the activation energy for self-diffusion. The study of the variation of the creep rate with the applied stress and the metallographic observations of the deformation induced polygonization allow to conclude that the deformation is controlled by climb of dislocations. In the third chapter, the deformation above 550 Celsius degrees of single crystals of uranium (obtained by β → α change) is studied. The major deformation mode is slip. The preexisting polygonization of these single crystals is very stable and the disorientation between adjacent sub-grains increases with the deformation. The activation energy for creep is higher than that for polycrystals. These results show the influence of the polygonization due to the β → α change on the creep behaviour of α uranium. (authors) [fr

Crystallization and preliminary X-ray diffraction studies of the tetramerization domain derived from the human potassium channel Kv1.3

International Nuclear Information System (INIS)

Winklmeier, Andreas; Weyand, Michael; Schreier, Christina; Kalbitzer, Hans Robert; Kremer, Werner

2009-01-01

The tetramerization domain of human Kv1.3 was cloned, expressed, purified and crystallized. The crystals belonged to space group I4 and diffracted to 1.2 Å resolution using synchrotron radiation. The tetramerization domain (T1 domain) derived from the voltage-dependent potassium channel Kv1.3 of Homo sapiens was recombinantly expressed in Escherichia coli and purified. The crystals were first grown in an NMR tube in 150 mM potassium phosphate pH 6.5 in the absence of additional precipitants. The crystals showed I4 symmetry characteristic of the naturally occurring tetrameric assembly of the single subunits. A complete native data set was collected to 1.2 Å resolution at 100 K using synchrotron radiation

Spherical Nb single crystals containerlessly grown by electrostatic levitation

International Nuclear Information System (INIS)

Sung, Y.S.; Takeya, H.; Hirata, K.; Togano, K.

2003-01-01

Spherical Nb (T m =2750 K) single crystals were grown via containerless electrostatic levitation (ESL). Samples became spherical at melting in levitation and undercooled typically 300-450 K prior to nucleation. As-processed samples were still spherical without any macroscopic shape change by solidification showing a uniform dendritic surface morphology. Crystallographic {111} planes exposed in equilateral triangular shapes on the surface by preferential macroetching and spotty back-reflection Laue patterns confirm the single crystal nature of the ESL-processed Nb samples. No hysteresis in magnetization between zero field and field cooling also implies a clean defect-free condition of the spherical Nb single crystals

Metal Halide Perovskite Single Crystals: From Growth Process to Application

Directory of Open Access Journals (Sweden)

Shuigen Li

2018-05-01

Full Text Available As a strong competitor in the field of optoelectronic applications, organic-inorganic metal hybrid perovskites have been paid much attention because of their superior characteristics, which include broad absorption from visible to near-infrared region, tunable optical and electronic properties, high charge mobility, long exciton diffusion length and carrier recombination lifetime, etc. It is noted that perovskite single crystals show remarkably low trap-state densities and long carrier diffusion lengths, which are even comparable with the best photovoltaic-quality silicon, and thus are expected to provide better optoelectronic performance. This paper reviews the recent development of crystal growth in single-, mixed-organic-cation and fully inorganic halide perovskite single crystals, in particular the solution approach. Furthermore, the application of metal hybrid perovskite single crystals and future perspectives are also highlighted.

$\\beta$-NMR of copper isotopes in ionic liquids

CERN Multimedia

We propose to test the feasibility of spin-polarization and $\\beta$-NMR studies on several short-lived copper isotopes, $^{58}$ Cu, $^{74}$Cu and $^{75}$Cu in crystals and liquids. The motivation is given by biological studies of Cu with $\\beta$-NMR in liquid samples, since Cu is present in a large number of enzymes involved in electron transfer and activation of oxygen. The technique is based on spin-polarization via optical pumping in the new VITO beamline. We will use the existing lasers, NMR magnet and NMR chambers and we will prepare a new optical pumping system. The studies will be devoted to tests of achieved $\\beta$-asymmetry in solid hosts, the behaviour of asymmetry when increasing vacuum, and finally NMR scans in ionic liquids. The achieved spin polarization will be also relevant for the plans to measure with high precision the magnetic moments of neutron-rich Cu isotopes.

Solid state NMR, basic theory and recent progress for quadrupole nuclei with half-integer spin

International Nuclear Information System (INIS)

Dieter, F.

1998-01-01

This review describes the basic theory and some recently developed techniques for the study of quadrupole nuclei with half integer spins in powder materials. The latter is connected to the introduction of the double rotation (DOR) by A. Samoson et al. (1) and to the introduction of the multiple quantum magic-angle spinning (MQ MAS) technique by L. Frydman et. al. (2). For integer spins, especially the solid-state deuterium magnetic resonance, we refer to the review of G.L. Hoatson and R.L. Vold: '' 2 H-NMR Spectroscopy of Solids and Liquid Crystals'' (3). For single crystals we refer to O. Kanert and M. Mehring: ''Static quadrupole effects in disordered cubic solids''(4) and we would like also to mention the ''classic'' review of M.H. Cohen and F. Reif: ''Quadrupole effects in NMR studies of solids'' (5). Some more recent reviews in the field under study are D. Freude and J. Haase ''Quadrupole effects in solid-state NMR'' (6). Ch. Jager: ''Satellite Transition Spectroscopy of Quadrupolar Nuclei'' (7) and B.F. Chmelka and J.W. Zwanziger: ''Solid State NMR Line Narrowing Methods for Quadrupolar Nuclei - Double Rotation and Dynamic-Angle Spinning'' (8). A survey of nuclear quadrupole frequency data published before the end of 1982 is given by H. Chihara and N. Nakamura in Landolt-Bornstein, Vol. 20 (9). Values of the chemical shift of quadrupole nuclei in solids can be found in books such as ''Multinuclear NMR'' edited by J. Mason (10). In section 9 of ref (6) some electric field gradient and chemical shift data published from 1983 to 1992 for the most studied quadrupole nuclei sup 27 Al, sup 23 Na, and sup 17 O are given

Structures of larger proteins in solution: Three- and four-dimensional heteronuclear NMR spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Gronenborn, A.M.; Clore, G.M. [National Institutes of Health, Bethesda, MD (United States)

1994-12-01

Complete understanding of a protein`s function and mechanism of action can only be achieved with a knowledge of its three-dimensional structure at atomic resolution. At present, there are two methods available for determining such structures. The first method, which has been established for many years, is x-ray diffraction of protein single crystals. The second method has blossomed only in the last 5 years and is based on the application of nuclear magnetic resonance (NMR) spectroscopy to proteins in solution. This review paper describes three- and four-dimensional NMR methods applied to protein structure determination and was adapted from Clore and Gronenborn. The review focuses on the underlying principals and practice of multidimensional NMR and the structural information obtained.

Effect of SHI irradiation on structural, surface morphological and optical studies of CVT grown ZnSSe single crystals

International Nuclear Information System (INIS)

Kannappan, P.; Asokan, K.; Krishna, J.B.M.; Dhanasekaran, R.

2013-01-01

Highlights: •CVT grown ZnSSe single crystals were irradiated with 120 MeV Au ion. •The GIXRD results show the FWHM increases with increasing ion fluency. •The AFM study show the surface roughness increases with ion fluency. •The optical band gap energy vary with increasing ion fluency. •The PL emission decreases with increasing ion fluency. -- Abstract: The ZnSSe single crystals grown by chemical vapour transport (CVT) method have been irradiated by 120 MeV Au 9+ ions at room temperature with fluences of 1 × 10 12 and 5 × 10 12 ions/cm 2 . The grazing incidence X-ray diffraction (GIXRD) results show that the full width at half maximum (FWHM) value for the as grown ZnSSe crystal is 0.215°; and for the irradiated samples, the FWHM values are 0.413° and 0.625°, with the increase of ion fluences. The atomic force microscopy (AFM) studies reveal the formation of the pits and islands due to irradiation. The optical absorption cut off wavelength is found to be 441 nm for as grown ZnSSe crystal. The cut off values are increased to 447 nm and 457 nm for the irradiated samples with increasing ion fluency. The photoluminescence studies show the emission for the as grown ZnSSe is 590 nm whereas for the irradiated samples in the emission range it is 580–590 nm and 575–595 nm due to SHI irradiation. FT-Raman spectra analysis has been made for the ZnSSe single crystals and irradiated samples. The results are discussed in detail

Effect of SHI irradiation on structural, surface morphological and optical studies of CVT grown ZnSSe single crystals

Energy Technology Data Exchange (ETDEWEB)

Kannappan, P. [Crystal Growth Centre, Anna University, Chennai 600 025 (India); Asokan, K. [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110 067 (India); Krishna, J.B.M. [UGC-DAE Consortium for Scientific Research, III-/LB-8, Bidhan nagar, Kolkata 700 098 (India); Dhanasekaran, R., E-mail: rdcgc@yahoo.com [Crystal Growth Centre, Anna University, Chennai 600 025 (India)

2013-12-15

Highlights: •CVT grown ZnSSe single crystals were irradiated with 120 MeV Au ion. •The GIXRD results show the FWHM increases with increasing ion fluency. •The AFM study show the surface roughness increases with ion fluency. •The optical band gap energy vary with increasing ion fluency. •The PL emission decreases with increasing ion fluency. -- Abstract: The ZnSSe single crystals grown by chemical vapour transport (CVT) method have been irradiated by 120 MeV Au{sup 9+} ions at room temperature with fluences of 1 × 10{sup 12} and 5 × 10{sup 12} ions/cm{sup 2}. The grazing incidence X-ray diffraction (GIXRD) results show that the full width at half maximum (FWHM) value for the as grown ZnSSe crystal is 0.215°; and for the irradiated samples, the FWHM values are 0.413° and 0.625°, with the increase of ion fluences. The atomic force microscopy (AFM) studies reveal the formation of the pits and islands due to irradiation. The optical absorption cut off wavelength is found to be 441 nm for as grown ZnSSe crystal. The cut off values are increased to 447 nm and 457 nm for the irradiated samples with increasing ion fluency. The photoluminescence studies show the emission for the as grown ZnSSe is 590 nm whereas for the irradiated samples in the emission range it is 580–590 nm and 575–595 nm due to SHI irradiation. FT-Raman spectra analysis has been made for the ZnSSe single crystals and irradiated samples. The results are discussed in detail.

A numerical study of crack tip constraint in ductile single crystals

Science.gov (United States)

Patil, Swapnil D.; Narasimhan, R.; Mishra, R. K.

In this work, the effect of crack tip constraint on near-tip stress and deformation fields in a ductile FCC single crystal is studied under mode I, plane strain conditions. To this end, modified boundary layer simulations within crystal plasticity framework are performed, neglecting elastic anisotropy. The first and second terms of the isotropic elastic crack tip field, which are governed by the stress intensity factor K and T-stress, are prescribed as remote boundary conditions and solutions pertaining to different levels of T-stress are generated. It is found that the near-tip deformation field, especially, the development of kink or slip shear bands, is sensitive to the constraint level. The stress distribution and the size and shape of the plastic zone near the crack tip are also strongly influenced by the level of T-stress, with progressive loss of crack tip constraint occurring as T-stress becomes more negative. A family of near-tip fields is obtained which are characterized by two terms (such as K and T or J and a constraint parameter Q) as in isotropic plastic solids.

Adsorbates on cobalt and platinum single crystal surfaces studied by STM

Energy Technology Data Exchange (ETDEWEB)

Venvik, Hilde Johnsen

1998-12-31

This thesis on surface physics may contribute to the understanding of catalysts and so be of interest to companies working on oil and natural gas refining. The thesis deals with room temperature experimental investigations of adsorbates of CO and C{sub 2}H{sub 4} gases on Co and Pt single crystal surfaces. 252 refs., 51 figs., 1 table

NMR and NQR studies of 5f-band metamagnetic UCoAl and UCo{sub 1-x}T{sub x}Al (T=Fe,Ni)

Energy Technology Data Exchange (ETDEWEB)

Kohori, Y. [Graduate School of Science and Technology, Chiba University, Chiba 263-8522 (Japan) and Department of Physics, Faculty of Science, Chiba University, Chiba 263-8522 (Japan)]. E-mail: kohori@faculty.chiba-u.jp; Fukazawa, H. [Graduate School of Science and Technology, Chiba University, Chiba 263-8522 (Japan); Department of Physics, Faculty of Science, Chiba University, Chiba 263-8522 (Japan); Iwamoto, Y. [Division of Cargo and Transportation Science, Kobe University, Kobe 658-0022 (Japan); Kohara, T. [Graduate School of Material Science, University of Hyogo, Hyogo 678-1297 (Japan); Andreev, A.V. [Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, 18040 Prague 8 (Czech Republic); Sechovsky, V. [Department of Electronic Structures, Charles University, Ke Karlovu 5, 121 16 Prague 2 (Czech Republic)

2006-05-01

The 5f-band system UCoAl, which crystallizes in the hexagonal ZrNiAl-type structure, has the paramagnetic ground state. The magnetic fields H as low as 0.6T oriented along the c-axis induce the metamagnetic transition below 17K. In order to study the magnetic property of UCoAl, we performed {sup 27}Al and {sup 59}Co NMR/NQR measurements in UCoAl, UCo{sub 0.98}Fe{sub 0.02}Al and UCo{sub 0.95}Ni{sub 0.05}Al single crystals. The substitution of Fe stabilizes the ferromagnetic state, and that of Ni stabilizes the paramagnetic state. The nuclear spin-lattice relaxation rate 1/T{sub 1} obtained with the crystal c-axis perpendicular to H is nearly six times larger than the 1/T{sub 1} with the c-axis parallel to H, which reflects the anisotropy of the spin fluctuations of the system.

Neutron transmission measurements of zinc and lead single crystals

International Nuclear Information System (INIS)

Adib, M.; Abdel-Kawy, A.

1988-01-01

Neutron transmission measurements of zinc and lead single crystals have been carried out in a neutron wavelength band from 0.03 to 0.55 nm at different orientations of the crystal with regard to the beam direction. The measurements were performed using both time-of-flight and fixed-angle scattering spectrometers installed in front of the ET-RR-1 reactor horizontal channels. It was found that the position of the observed dips in the neutron transmission measurements corresponded to the reflections from the (h k l) planes of the hexagonal zinc single crystal which was cut along the (0 0 2) plane, while in the case of lead, the single crystal was cut perpendicular to the (3 1 1) plane. The reflectivity from the (0 0 2) plane of zinc was determined using both transmission and reflection methods. The maximum reflectivity was found to be 55% when the zinc crystal was orientated at 45 0 to the beam direction. The wavelength spread of the observed reflectivity curve was found to be in agreement with the calculated one, taking into consideration the spectrometer's resolution and the crystal mosaic spread. (author)

Single crystal study of the heavy-fermion antiferromagnet CePt2In7

International Nuclear Information System (INIS)

Tobash, Paul H; Ronning, F; Thompson, J D; Scott, B L; Bauer, E D; Moll, P J W; Batlogg, B

2012-01-01

We report the synthesis, structure, and physical properties of single crystals of CePt 2 In 7 . Single crystal x-ray diffraction analysis confirms the tetragonal I4/mmm structure of CePt 2 In 7 with unit cell parameters a = 4.5886(6) Å, c = 21.530(6) Å and V = 453.32(14) Å 3 . The magnetic susceptibility, heat capacity, Hall effect and electrical resistivity measurements are all consistent with CePt 2 In 7 undergoing an antiferromagnetic order transition at T N = 5.5 K, which is field independent up to 9 T. Above T N , the Sommerfeld coefficient of specific heat is γ ≈ 300 mJ mol -1 K -2 , which is characteristic of an enhanced effective mass of itinerant charge carriers. The electrical resistivity is typical of heavy-fermion behavior and gives a residual resistivity ρ 0 ∼ 0.2 µΩ cm, indicating good crystal quality. CePt 2 In 7 also shows moderate anisotropy of the physical properties that is comparable to structurally related CeMIn 5 (M = Co, Rh, Ir) heavy-fermion superconductors. (paper)

Photoacoustic and dielectric spectroscopic studies of 4-dimethylamino-n-methyl-4-stilbazolium tosylate single crystal: An efficient terahertz emitter

Science.gov (United States)

Manivannan, M.; Martin Britto Dhas, S. A.; Jose, M.

2016-12-01

Bulk terahertz emitting single crystal of 4-dimethylamino-N-methyl-4-stilbazolium tosylate (DAST) was synthesized by condensation method and grown by slow solvent evaporation technique from methanol. The structure and cell parameters of the grown crystals were derived from single crystal and powder X-ray diffraction analyses and the optical properties of the crystal were analyzed by UV-Vis Spectrophotometer. The presence of functional groups was identified by FTIR and FT-Raman spectroscopic studies. We demonstrated that in DAST crystal, the thermal transport properties such as thermal conductivity, thermal diffusivity and thermal effusivity are better than several well recognized standard materials using photoacoustic spectrophotometer. The dielectric measurement was made as a function of frequency (1 Hz-35 MHz) at different temperatures (30-200 °C). The dielectric constant and dielectric loss were found to be strongly dependent on temperature and frequency of the applied electric field. The semicircle in the cole-cole plot showed the presence of dielectric relaxation in the crystal with its diameter representing the resistance of the crystal. The resistivity and ac conductivity were calculated from the measured dielectric data.

A 1:1 pharmaceutical cocrystal of myricetin in combination with uncommon piracetam conformer: X-ray single crystal analysis and mechanochemical synthesis

Science.gov (United States)

Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa

2014-01-01

Combination of two Active Pharmaceutical Ingredients, myricetin and piracetam, yields a 1:1 cocrystal characterized by X-ray single-crystal and powder diffraction, Raman spectroscopy, 1H NMR, thermal analysis (DSC and TG-DTA) methods. Constituents of the cocrystalline phase were also investigated in terms of Hirshfeld surfaces. Compounds in their neutral forms cocrystallize in the Pna21 space group of orthorhombic system. Notably, piracetam adopts an uncommon conformation, not encountered in its cocrystals previously described. In the crystal lattice, a three-dimensional hydrogen-bonded network is observed, including formation of a 2D molecular scaffolding motif. A scale-up procedure is readily available with use of solvent-drop grinding method, in which application of a variety of common solvents leads to formation of the cocrystal, as confirmed by XRPD and Raman spectroscopy.

Structural elucidation and physicochemical properties of an organic NLO crystal: 4-Nitrotoluene-2-sulphonic acid dihydrate

Science.gov (United States)

Sangeetha, K.; Guru Prasad, L.; Mathammal, R.

2018-03-01

4-nitrotoluene-2-sulphonic acid dihydrate single crystals have been developed using slow evaporation technique in methanol. Lattice parameters of the NTSAD crystal have been calculated and it confirms the grown material. The intermolecular interactions are studied from the 3D Hirshfeld surface analysis and 2D fingerprint plots. The NMR spectral analysis has been carried out to confirm the molecular structure of the grown material. Optical properties have been obtained from UV-VIS spectral analysis and photoluminescence studies. Frequency conversion property of the NTSAD crystal was investigated with the aid of Kurtz and Perry method.

Structural study of quasi-one-dimensional vanadium pyroxene LiVSi{sub 2}O{sub 6} single crystals

Energy Technology Data Exchange (ETDEWEB)

Ishii, Yuto [Department of Physics, Hokkaido University, Sapporo 060-0810 (Japan); Matsushita, Yoshitaka [National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Oda, Migaku; Yoshida, Hiroyuki [Department of Physics, Hokkaido University, Sapporo 060-0810 (Japan)

2017-02-15

Single crystals of quasi-one-dimensional vanadium pyroxene LiVSi{sub 2}O{sub 6} were synthesized and the crystal structures at 293 K and 113 K were studied using X-ray diffraction experiments. We found a structural phase transition from the room-temperature crystal structure with space group C2/c to a low-temperature structure with space group P2{sub 1}/c, resulting from a rotational displacement of SiO{sub 4} tetrahedra. The temperature dependence of magnetic susceptibility shows a broad maximum around 116 K, suggesting an opening of the Haldane gap expected for one-dimensional antiferromagnets with S=1. However, an antiferromagnetic long-range order was developed below 24 K, probably caused by a weak inter-chain magnetic coupling in the compound. - Graphical abstract: Low temperature crystal structure of LiVSi{sub 2}O{sub 6} and an orbital arrangement within the V-O zig-zag chain along the c-axis. - Highlights: • A low temperature structure of LiVSi{sub 2}O{sub 6} was determined by single crystal X-ray diffraction measurements. • The origin of the structural transition is a rotational displacement of SiO{sub 4} tetrahedra. • The uniform orbital overlap in the V-O zigzag chain makes the system a quasi one-dimensional antiferromagnet.

EPR and optical absorption studies of paramagnetic molecular ion (VO2+) in Lithium Sodium Acid Phthalate single crystal

Science.gov (United States)

Subbulakshmi, N.; Kumar, M. Saravana; Sheela, K. Juliet; Krishnan, S. Radha; Shanmugam, V. M.; Subramanian, P.

2017-12-01

Electron Paramagnetic Resonance (EPR) spectroscopic studies of VO2+ ions as paramagnetic impurity in Lithium Sodium Acid Phthalate (LiNaP) single crystal have been done at room temperature on X-Band microwave frequency. The lattice parameter values are obtained for the chosen system from Single crystal X-ray diffraction study. Among the number of hyperfine lines in the EPR spectra only two sets are reported from EPR data. The principal values of g and A tensors are evaluated for the two different VO2+ sites I and II. They possess the crystalline field around the VO2+ as orthorhombic. Site II VO2+ ion is identified as substitutional in place of Na1 location and the other site I is identified as interstitial location. For both sites in LiNaP, VO2+ are identified in octahedral coordination with tetragonal distortion as seen from the spin Hamiltonian parameter values. The ground state of vanadyl ion in the LiNaP single crystal is dxy. Using optical absorption data the octahedral and tetragonal parameters are calculated. By correlating EPR and optical data, the molecular orbital bonding parameters have been discussed for both sites.

Ultrahigh vacuum STM/STS studies of the Bi-O surface in Bi2Sr2CuOy single crystals

International Nuclear Information System (INIS)

Ikeda, Kazuto; Tomeno, Izumi; Takamuku, Kenshi; Yamaguchi, Koji; Itti, Rittaporn; Koshizuka, Naoki

1992-01-01

Scanning tunneling microscopic and spectroscopic studies were made on cleaved surfaces of Bi 2 Sr 2 CuO y single crystals using an ultrahigh-vacuum scanning tunneling microscope (UHV-STM). The modulation structures of the Bi-O surface were observed at room temperature with atomic resolution. The tunneling spectra showed electronic gap structures similar to those observed for the Bi-O surface of superconducting Bi-2212 single crystals. This suggests that superconductivity is not directly related to the electronic structure observed in the Bi-O plane. (orig.)

Deuterium NMR, induced and intrinsic cholesteric lyomesophases

International Nuclear Information System (INIS)

Alcantara, M.R.

1982-01-01

Induced and intrinsic cholesteric lyotropic mesophases were studied. Induced cholesteric lyomesophases based on potassium laurate (KL) system, with small amounts of cholesterol added, were studied by deuterium NMR and by polarizing microscopy. Order profiles obtained from deuterium NMR of KL perdenderated chains in both induced cholesteric and normal mesophases were compared. The intrinsic cholesteric lyotropic mesophases were based on the amphiphile potassium N-lauroyl serinate (KLNS) in the resolved levo form. The study of the type I intrinsic cholesteric mesophase was made by optical microscopy under polarized light and the type II intrinsic cholesteric lyomesophase was characterized by deuterium NMR. The new texture was explained by the use of the theory of disclinations developed for thermotropic liquid crystals, specially for cholesteric type. (M.J.C.) [pt

Seeded growth of boron arsenide single crystals with high thermal conductivity

Science.gov (United States)

Tian, Fei; Song, Bai; Lv, Bing; Sun, Jingying; Huyan, Shuyuan; Wu, Qi; Mao, Jun; Ni, Yizhou; Ding, Zhiwei; Huberman, Samuel; Liu, Te-Huan; Chen, Gang; Chen, Shuo; Chu, Ching-Wu; Ren, Zhifeng

2018-01-01

Materials with high thermal conductivities are crucial to effectively cooling high-power-density electronic and optoelectronic devices. Recently, zinc-blende boron arsenide (BAs) has been predicted to have a very high thermal conductivity of over 2000 W m-1 K-1 at room temperature by first-principles calculations, rendering it a close competitor for diamond which holds the highest thermal conductivity among bulk materials. Experimental demonstration, however, has proved extremely challenging, especially in the preparation of large high quality single crystals. Although BAs crystals have been previously grown by chemical vapor transport (CVT), the growth process relies on spontaneous nucleation and results in small crystals with multiple grains and various defects. Here, we report a controllable CVT synthesis of large single BAs crystals (400-600 μm) by using carefully selected tiny BAs single crystals as seeds. We have obtained BAs single crystals with a thermal conductivity of 351 ± 21 W m-1 K-1 at room temperature, which is almost twice as conductive as previously reported BAs crystals. Further improvement along this direction is very likely.

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

Energy Technology Data Exchange (ETDEWEB)

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

2010-11-25

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

CH3NH3PbCl3 Single Crystals: Inverse Temperature Crystallization and Visible-Blind UV-Photodetector

KAUST Repository

Maculan, Giacomo

2015-09-02

Single crystals of hybrid perovskites have shown remarkably improved physical properties compared to their polycrystalline film counterparts, underscoring their importance in the further development of advanced semiconductor devices. Here we present a new method of sizeable CH3NH3PbCl3 single crystal growth based on retrograde solubility behavior of hybrid perovskites. We show, for the first time, the energy band structure, charge-carrier recombination and transport properties of single crystal CH3NH3PbCl3. The chloride-based perovskite crystals exhibit trap-state density, charge carriers concentration, mobility and diffusion length comparable with the best quality crystals of methylammonium lead iodide or bromide perovskites reported so far. The high quality of the crystal along with its suitable optical bandgap enabled us to design and build an efficient visible-blind UV-photodetector, demonstrating the potential of this material to be employed in optoelectronic applications.

Atomic structures and mechanical properties of single-crystal GaN nanotubes

International Nuclear Information System (INIS)

Xu, B.; Lu, A.J.; Pan, B.C.; Yu, Q.X.

2005-01-01

An approach is proposed to theoretically construct a realistic single-crystal GaN nanotube at atomic scale. The generated atomic structures of the single-crystal GaN nanotubes match the structural aspects from experiment very well. Our energetic calculations show that a single-crystal GaN nanotube with [100]-oriented lateral facets is more stable than that with [110]-oriented lateral facets, when they have around the same wall thickness. For a specified orientation of the lateral facets on the single-crystal GaN nanotubes, the energetic stabilities of the tubes obey a P rule, in which P is the ratio of the number of four-coordinated atoms to the number of three-coordinated atoms. Furthermore, the Young's modulus of the considered GaN nanotubes decrease with increasing the ratio of the number of bulk atoms to the number of surface atoms in each type of tube. Our calculations and analysis demonstrate that the surface effect of a single-crystal nanotube enhances its Young's modulus significantly

A Toolbox of Solid-State NMR Experiments for the Characterization of Soft Organic Nanomaterials

KAUST Repository

Straasø, Lasse Arnt

2016-02-02

Determining how organic molecules self-assemble into a solid material is a challenging and demanding task if a single crystal of the material cannot be produced. Solid-state NMR spectroscopy offers access to such molecular details via an appropriate selection of techniques. This report gives a selected overview of 1D and 2D solid-state NMR techniques for elucidating the structure of soft organic solids. We focus on how the solid-state NMR techniques are designed from the perspective of the different nuclear interactions, using average Hamiltonian theory and product operators. We also introduce recent methods for quantification and reduction of experimental artifacts. Finally, we highlight how the solid-state NMR techniques can be applied to soft organic materials by reviewing recent applications to semicrystalline polymers, π-conjugated polymers, natural silk, and graphene-related materials.

A Toolbox of Solid-State NMR Experiments for the Characterization of Soft Organic Nanomaterials

KAUST Repository

Straasø , Lasse Arnt; Saleem, Qasim; Hansen, Michael Ryan

2016-01-01

Determining how organic molecules self-assemble into a solid material is a challenging and demanding task if a single crystal of the material cannot be produced. Solid-state NMR spectroscopy offers access to such molecular details via an appropriate selection of techniques. This report gives a selected overview of 1D and 2D solid-state NMR techniques for elucidating the structure of soft organic solids. We focus on how the solid-state NMR techniques are designed from the perspective of the different nuclear interactions, using average Hamiltonian theory and product operators. We also introduce recent methods for quantification and reduction of experimental artifacts. Finally, we highlight how the solid-state NMR techniques can be applied to soft organic materials by reviewing recent applications to semicrystalline polymers, π-conjugated polymers, natural silk, and graphene-related materials.

Heterogeneous Monolithic Integration of Single-Crystal Organic Materials.

Science.gov (United States)

Park, Kyung Sun; Baek, Jangmi; Park, Yoonkyung; Lee, Lynn; Hyon, Jinho; Koo Lee, Yong-Eun; Shrestha, Nabeen K; Kang, Youngjong; Sung, Myung Mo

2017-02-01

Manufacturing high-performance organic electronic circuits requires the effective heterogeneous integration of different nanoscale organic materials with uniform morphology and high crystallinity in a desired arrangement. In particular, the development of high-performance organic electronic and optoelectronic devices relies on high-quality single crystals that show optimal intrinsic charge-transport properties and electrical performance. Moreover, the heterogeneous integration of organic materials on a single substrate in a monolithic way is highly demanded for the production of fundamental organic electronic components as well as complex integrated circuits. Many of the various methods that have been designed to pattern multiple heterogeneous organic materials on a substrate and the heterogeneous integration of organic single crystals with their crystal growth are described here. Critical issues that have been encountered in the development of high-performance organic integrated electronics are also addressed. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Positron annihilation study of defects in electron-irradiated single crystal zinc oxide

Science.gov (United States)

To, C. K.; Yang, B.; Beling, C. D.; Fung, S.; Ling, C. C.; Gong, M.

2011-01-01

Pressurized melt grown zinc oxide (ZnO) single crystals purchased from Cermet Inc. were irradiated by 2MeV electrons with fluence of 6x1017cm-2. Isochronal annealing from 100°C-800°C was performed on the crystals under argon and air ambience. Variable Energy Doppler Broadening Spectroscopy (VEDBS) was carried out on both the as-grown and the irradiated samples at each annealing step. The migration, agglomeration and annealing of grown-in and irradiated-introduced defects were studied. It was observed that the grown-in vacancy-type defects concentration decreased at 300°C and 600 °C. For the irradiated sample annealed in argon, the positron trapping vacancy-type defect concentration decreased at 300°C and 600°C. Further annealing the as-grown and irradiated samples in argon increased the S parameter further. For the irradiated sample annealed in air, the vacancy-type defect concentration decreases at 300°C and 700°C.

Positron annihilation study of defects in electron-irradiated single crystal zinc oxide

Energy Technology Data Exchange (ETDEWEB)

To, C K; Yang, B; Beling, C D; Fung, S; Ling, C C [Department of Physics, University of Hong Kong (Hong Kong); Gong, M, E-mail: sfung@hkucc.hku.h, E-mail: edwardto04@yahoo.com.h [Department of Physics, Sichuan University, Chengdu (China)

2011-01-01

Pressurized melt grown zinc oxide (ZnO) single crystals purchased from Cermet Inc. were irradiated by 2 MeV electrons with fluence of 6x10{sup 17}cm{sup -2}. Isochronal annealing from 100 deg. C - 800 deg. C was performed on the crystals under argon and air ambience. Variable Energy Doppler Broadening Spectroscopy (VEDBS) was carried out on both the as-grown and the irradiated samples at each annealing step. The migration, agglomeration and annealing of grown-in and irradiated-introduced defects were studied. It was observed that the grown-in vacancy-type defects concentration decreased at 300 deg. C and 600 deg. C. For the irradiated sample annealed in argon, the positron trapping vacancy-type defect concentration decreased at 300 deg. C and 600 deg. C. Further annealing the as-grown and irradiated samples in argon increased the S parameter further. For the irradiated sample annealed in air, the vacancy-type defect concentration decreases at 300 deg. C and 700 deg. C.

Positron annihilation study of defects in electron-irradiated single crystal zinc oxide

International Nuclear Information System (INIS)

To, C K; Yang, B; Beling, C D; Fung, S; Ling, C C; Gong, M

2011-01-01

Pressurized melt grown zinc oxide (ZnO) single crystals purchased from Cermet Inc. were irradiated by 2 MeV electrons with fluence of 6x10 17 cm -2 . Isochronal annealing from 100 deg. C - 800 deg. C was performed on the crystals under argon and air ambience. Variable Energy Doppler Broadening Spectroscopy (VEDBS) was carried out on both the as-grown and the irradiated samples at each annealing step. The migration, agglomeration and annealing of grown-in and irradiated-introduced defects were studied. It was observed that the grown-in vacancy-type defects concentration decreased at 300 deg. C and 600 deg. C. For the irradiated sample annealed in argon, the positron trapping vacancy-type defect concentration decreased at 300 deg. C and 600 deg. C. Further annealing the as-grown and irradiated samples in argon increased the S parameter further. For the irradiated sample annealed in air, the vacancy-type defect concentration decreases at 300 deg. C and 700 deg. C.

Hydrothermal growth of PbSO4 (Anglesite) single crystal

International Nuclear Information System (INIS)

Kikuta, Ko-ichi; Yoneta, Yasuhito; Yogo, Toshinobu; Hirano, Shin-ichi

1994-01-01

Hydrothermal growth of single crystals of PbSO 4 , which is known as a natural mineral called anglesite, was investigated. Lead nitrate and nitric acid solutions were found to be useful for the growth of angle-site on the basis of the experimental results on the dissolution behavior. Relatively large euhedral single crystals bound by {210} and {101} planes were successfully grown in 1.5 mol/kg Pb(NO 3 ) 2 at 400degC and 100 MPa. Optical characterization revealed that the grown anglesite crystals can be useful for scintillators material. (author)

Monte Carlo Modelling of Single-Crystal Diffuse Scattering from Intermetallics

Directory of Open Access Journals (Sweden)

Darren J. Goossens

2016-02-01

Full Text Available Single-crystal diffuse scattering (SCDS reveals detailed structural insights into materials. In particular, it is sensitive to two-body correlations, whereas traditional Bragg peak-based methods are sensitive to single-body correlations. This means that diffuse scattering is sensitive to ordering that persists for just a few unit cells: nanoscale order, sometimes referred to as “local structure”, which is often crucial for understanding a material and its function. Metals and alloys were early candidates for SCDS studies because of the availability of large single crystals. While great progress has been made in areas like ab initio modelling and molecular dynamics, a place remains for Monte Carlo modelling of model crystals because of its ability to model very large systems; important when correlations are relatively long (though still finite in range. This paper briefly outlines, and gives examples of, some Monte Carlo methods appropriate for the modelling of SCDS from metallic compounds, and considers data collection as well as analysis. Even if the interest in the material is driven primarily by magnetism or transport behaviour, an understanding of the local structure can underpin such studies and give an indication of nanoscale inhomogeneity.

Synthesis and ultrastructure of plate-like apatite single crystals as a model for tooth enamel

International Nuclear Information System (INIS)

Zhuang, Zhi; Yoshimura, Hideyuki; Aizawa, Mamoru

2013-01-01

Hydroxyapatite (HAp) is an inorganic constituent compound of human bones and teeth, with superior biocompatibility and bioactivity characteristics. Its crystal structure is hexagonal, characterized by a(b)- and c-planes. In vertebrate long bones, HAp crystals have a c-axis orientation, while in tooth enamel, they have an a(b)-axis orientation. Many methods can be used to synthesize c-axis oriented HAp single crystals; however, to the best of our knowledge, there have been no reports on a synthesis method for a(b)-axis oriented HAp single crystals. In this study, we successfully synthesized plate-like HAp crystals at the air–liquid interface of a starting solution via an enzyme reaction of urea with urease. Crystal phase analysis and ultrastructure observations were carried out, and the results indicated that the particles were single crystals, with almost the same a(b)-axis orientation as tooth enamel. It is hoped that by utilizing their unique surface charge and atomic arrangement, the resulting particles can be used as a high-performance biomaterial, capable of adsorbing bio-related substances and a model for tooth enamel. - Highlights: ► Synthesis of plate-like hydroxyapatite crystals at air–liquid interface ► Ultrastructural analysis of plate-like hydroxyapatite crystals ► Plate-like hydroxyapatite single crystals with a high a(b)-axis orientation ► Plate-like hydroxyapatite single crystals as a model for tooth enamel

Synthesis and ultrastructure of plate-like apatite single crystals as a model for tooth enamel

Energy Technology Data Exchange (ETDEWEB)

Zhuang, Zhi, E-mail: zhuang@meiji.ac.jp [Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan); Yoshimura, Hideyuki, E-mail: hyoshi@isc.meiji.ac.jp [Department of Physics, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan); Aizawa, Mamoru, E-mail: mamorua@isc.meiji.ac.jp [Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan)

2013-07-01

Hydroxyapatite (HAp) is an inorganic constituent compound of human bones and teeth, with superior biocompatibility and bioactivity characteristics. Its crystal structure is hexagonal, characterized by a(b)- and c-planes. In vertebrate long bones, HAp crystals have a c-axis orientation, while in tooth enamel, they have an a(b)-axis orientation. Many methods can be used to synthesize c-axis oriented HAp single crystals; however, to the best of our knowledge, there have been no reports on a synthesis method for a(b)-axis oriented HAp single crystals. In this study, we successfully synthesized plate-like HAp crystals at the air–liquid interface of a starting solution via an enzyme reaction of urea with urease. Crystal phase analysis and ultrastructure observations were carried out, and the results indicated that the particles were single crystals, with almost the same a(b)-axis orientation as tooth enamel. It is hoped that by utilizing their unique surface charge and atomic arrangement, the resulting particles can be used as a high-performance biomaterial, capable of adsorbing bio-related substances and a model for tooth enamel. - Highlights: ► Synthesis of plate-like hydroxyapatite crystals at air–liquid interface ► Ultrastructural analysis of plate-like hydroxyapatite crystals ► Plate-like hydroxyapatite single crystals with a high a(b)-axis orientation ► Plate-like hydroxyapatite single crystals as a model for tooth enamel.

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

Single-crystal and polycrystalline diamond erosion studies in Pilot-PSI

Science.gov (United States)

Kogut, D.; Aussems, D.; Ning, N.; Bystrov, K.; Gicquel, A.; Achard, J.; Brinza, O.; Addab, Y.; Martin, C.; Pardanaud, C.; Khrapak, S.; Cartry, G.

2018-03-01

Diamond is a promising candidate for enhancing the negative-ion surface production in the ion sources for neutral injection in fusion reactors; hence evaluation of its reactivity towards hydrogen plasma is of high importance. Single crystal and polycrystalline diamond samples were exposed in Pilot-PSI with the D+ flux of (4‒7)·1024 m-2s-1 and the impact energy of 7-9 eV per deuteron at different surface temperatures; under such conditions physical sputtering is negligible, however chemical sputtering is important. Net chemical sputtering yield Y = 9.7·10-3 at/ion at 800 °C was precisely measured ex-situ using a protective platinum mask (5 × 10 × 2 μm) deposited beforehand on a single crystal followed by the post-mortem analysis using Transmission Electron Microscopy (TEM). The structural properties of the exposed diamond surface were analyzed by Raman spectroscopy and X-ray Photoelectron Spectroscopy (XPS). Gross chemical sputtering yields were determined in-situ by means of optical emission spectroscopy of the molecular CH A-X band for several surface temperatures. A bell-shaped dependence of the erosion yield versus temperature between 400 °C and 1200 °C was observed, with a maximum yield of ∼1.5·10-2 at/ion attained at 900 °C. The yields obtained for diamond are relatively high (0.5-1.5)·10-2 at/ion, comparable with those of graphite. XPS analysis shows amorphization of diamond surface within 1 nm depth, in a good agreement with molecular dynamics (MD) simulation. MD was also applied to study the hydrogen impact energy threshold for erosion of [100] diamond surface at different temperatures.

Growth of single crystals from solutions using semi-permeable membranes

Science.gov (United States)

Varkey, A. J.; Okeke, C. E.

1983-05-01

A technique suitable for growth of single crystals from solutions using semi-preamble membranes is described. Using this technique single crystals of copper sulphate, potassium bromide and ammonium dihydrogen phosphate have been successfully grown. Advantages of this technique over other methods are discussed.

Azeotropic binary solvent mixtures for preparation of organic single crystals

NARCIS (Netherlands)

Li, X.; Kjellander, B.K.C.; Anthony, J.E.; Bastiaansen, C.W.M.; Broer, D.J.; Gelinck, G.H.

2009-01-01

Here, a new approach is introduced to prepare large single crystals of π-conjugated organic molecules from solution. Utilizing the concept of azeotropism, single crystals of tri-isopropylsilylethynyl pentacene (TIPS-PEN) with dimensions up to millimeters are facilely self-assembled from homogeneous

Azeotropic binary solvent mixtures for preparation of organic single crystals

NARCIS (Netherlands)

Li, X.; Kjellander, B.K.C.; Anthony, J.E.; Bastiaansen, C.W.M.; Broer, D.J.; Gelinck, G.H.

2009-01-01

Here, a new approach is introduced to prepare large single crystals of p-conjugated organic molecules from solution. Utilizing the concept of azeotropism, single crystals of tri-isopropylsilylethynyl pentacene (TIPS-PEN) with dimensions up to millimeters are facilely self-assembled from homogeneous

Thermal diffuse scattering in time-of-flight neutron diffraction studied on SBN single crystals

International Nuclear Information System (INIS)

Prokert, F.; Savenko, B.N.; Balagurov, A.M.

1994-01-01

At time-of-flight (TOF) diffractometer D N-2, installed at the pulsed reactor IBR-2 in Dubna, Sr x Ba 1-x Nb 2 O 6 mixed single crystals (SBN-x) of different compositions (0.50 < x< 0.75) were investigated between 15 and 773 K. The diffraction patterns were found to be strongly influenced by the thermal diffuse scattering (TDS). The appearance of the TDS from the long wavelength acoustic models of vibration in single crystals is characterized by the ratio of the velocity of sound to the velocity of neutron. Due to the nature of the TOF Laue diffraction technique used on D N-2, the TDS around Bragg peaks has rather a complex profile. An understanding of the TDS close to Bragg peaks is essential in allowing the extraction of the diffuse scattering occurring at the diffuse ferroelectric phase transition in SBN crystals. 11 refs.; 9 figs.; 1 tab. (author)

Light emission from organic single crystals operated by electrolyte doping

Science.gov (United States)

Matsuki, Keiichiro; Sakanoue, Tomo; Yomogida, Yohei; Hotta, Shu; Takenobu, Taishi

2018-03-01

Light-emitting devices based on electrolytes, such as light-emitting electrochemical cells (LECs) and electric double-layer transistors (EDLTs), are solution-processable devices with a very simple structure. Therefore, it is necessary to apply this device structure into highly fluorescent organic materials for future printed applications. However, owing to compatibility problems between electrolytes and organic crystals, electrolyte-based single-crystal light-emitting devices have not yet been demonstrated. Here, we report on light-emitting devices based on organic single crystals and electrolytes. As the fluorescent materials, α,ω-bis(biphenylyl)terthiophene (BP3T) and 5,6,11,12-tetraphenylnaphthacene (rubrene) single crystals were selected. Using ionic liquids as electrolytes, we observed clear light emission from BP3T LECs and rubrene EDLTs.

Parasitic neutron bragg reflections from large imperfect single crystals

Energy Technology Data Exchange (ETDEWEB)

Naguib, K.; Adib, M

1998-12-01

A formula is given which allows to calculate the contribution of the total Bragg scattering from different (hkl) planes to the neutron transmission through a large imperfect single crystals. The formula takes into account the crystal structure type, its mosaic spread value, the plane along which the crystal surface is cut along and its orientation with respect to the neutron beam direction. A computer program ISCANF-1 was developed to calculate the total parasitic scattering cross-section from different (hkl) planes as well as the nuclear and diffuse scattering cross-sections. The ISCANF-1 program was applied to calculate the neutron attenuation through Cu and Zn single crystals, each of them cut along (002) planes. The calculated values of the neutron transmission through Cu and Zn crystals were compared with the measured ones in the wavelength range 0.21-0.47 nm and 0.04-0.52 nm respectively. The measured and calculated values were found to be in reasonable agreement within the statistical accuracy. The computer program ISCANF-1 was also applied to investigate the effect of parasitic Bragg scattering on the neutron filtering characteristics of both Zn and Cu single crystals as a function of their physical parameters.

Parasitic neutron bragg reflections from large imperfect single crystals

International Nuclear Information System (INIS)

Naguib, K.; Adib, M.

1998-01-01

A formula is given which allows to calculate the contribution of the total Bragg scattering from different (hkl) planes to the neutron transmission through a large imperfect single crystals. The formula takes into account the crystal structure type, its mosaic spread value, the plane along which the crystal surface is cut along and its orientation with respect to the neutron beam direction. A computer program ISCANF-1 was developed to calculate the total parasitic scattering cross-section from different (hkl) planes as well as the nuclear and diffuse scattering cross-sections. The ISCANF-1 program was applied to calculate the neutron attenuation through Cu and Zn single crystals, each of them cut along (002) planes. The calculated values of the neutron transmission through Cu and Zn crystals were compared with the measured ones in the wavelength range 0.21-0.47 nm and 0.04-0.52 nm respectively. The measured and calculated values were found to be in reasonable agreement within the statistical accuracy. The computer program ISCANF-1 was also applied to investigate the effect of parasitic Bragg scattering on the neutron filtering characteristics of both Zn and Cu single crystals as a function of their physical parameters

Studies on the structural, optical and dielectric properties of samarium coordinated with salicylic acid single crystal

Science.gov (United States)

Singh, Harjinder; Slathia, Goldy; Gupta, Rashmi; Bamzai, K. K.

2018-04-01

Samarium coordinated with salicylic acid was successfully grown as a single crystal by low temperature solution technique using mixed solvent of methanol and water in equal ratio. Structural characterization was carried out by single crystal X-ray diffraction analysis and it crystallizes in centrosymmetric space group P121/c1. FTIR and UV-Vis-NIR spectroscopy confirmed the compound formation and help to determine the mode of binding of the ligand to the rare earth-metal ion. Dielectric constant and dielectric loss have been measured over the frequency range 100 Hz - 30MHz. The decrease in dielectric constant with increases in frequency is due to the transition from interfacial polarization to dipolar polarization. The small value of dielectric constant at higher frequency ensures that the crystal is good candidate for NLO devices. Dielectric loss represents the resistive nature of the material.

Integrated experimental and computational studies of deformation of single crystal copper at high strain rates

Science.gov (United States)

Rawat, S.; Chandra, S.; Chavan, V. M.; Sharma, S.; Warrier, M.; Chaturvedi, S.; Patel, R. J.

2014-12-01

Quasi-static (0.0033 s-1) and dynamic (103 s-1) compression experiments were performed on single crystal copper along ⟨100⟩ and ⟨110⟩ directions and best-fit parameters for the Johnson-Cook (JC) material model, which is an important input to hydrodynamic simulations for shock induced fracture, have been obtained. The deformation of single crystal copper along the ⟨110⟩ direction showed high yield strength, more strain hardening, and less strain rate sensitivity as compared to the ⟨100⟩ direction. Although the JC model at the macro-scale is easy to apply and describes a general response of material deformation, it lacks physical mechanisms that describe the influence of texture and initial orientation on the material response. Hence, a crystal plasticity model based on the theory of thermally activated motion of dislocations was used at the meso-scale, in which the evolution equations permit one to study and quantify the influence of initial orientation on the material response. Hardening parameters of the crystal plasticity model show less strain rate sensitivity along the ⟨110⟩ orientation as compared to the ⟨100⟩ orientation, as also shown by the JC model. Since the deformation process is inherently multiscale in nature, the shape changes observed in the experiments due to loading along ⟨100⟩ and ⟨110⟩ directions are also validated by molecular dynamics simulations at the nano-scale.

Thermoluminescence and electron spin resonance studies of irradiated biological single crystals

International Nuclear Information System (INIS)

Cooke, D.W.

1977-01-01

Single crystals of x-irradiated L-alanine:Cr 3+ have been studied between 90 and 300K by electron spin resonance (ESR) and thermoluminescence (TL) techniques. Ultraviolet (uv) photobleaching of the Cr 3+ electron traps and L-alanine radical centers was also investigated. The results demonstrate that the x-ray generated radical centers can be destroyed by uv-induced electron transport activity, and this destruction follows first order kinetics. Also, the transformation of the primary neutral radical species to a secondary radical in L-alanine was found not to be induced by intermolecular electron transport. The TL glow was determined to proceed by first-order kinetics at a temperature of 160K with an activation energy of 0.3 eV and a frequency factor of 1.0 x 10 8 s -1 . The emission spectrum consisted of a broad band (FWHM approx. = 100 nm) which peaked at approximately 420 nm. Scintillation activity was observed in the ferroelectric crystals triglycine sulfate (TGS), deuterated TGS, and TGS: L-alanine. The emission spectrum of TGS:L-alanine was obtained. New observations of scintillations and current pulses from glycine, a nonferroelectric crystal, which result from heating or cooling the sample between 77 and 300K with no previous irradiation were made. The scintillations and current pulses occur approximately in coincidence. Scintillations were also observed from the potent oncogen 3-hydroxyxanthine by cooling the sample from 300 to 90K with no previous irradiation

Mechanical properties of hydroxyapatite single crystals from nanoindentation data

Science.gov (United States)

Zamiri, A.; De, S.

2011-01-01

In this paper we compute elasto-plastic properties of hydroxyapatite single crystals from nanindentation data using a two-step algorithm. In the first step the yield stress is obtained using hardness and Young’s modulus data, followed by the computation of the flow parameters. The computational approach is first validated with data from existing literature. It is observed that hydroxyapatite single crystals exhibit anisotropic mechanical response with a lower yield stress along the [1010] crystallographic direction compared to the [0001] direction. Both work hardening rate and work hardening exponent are found to be higher for indentation along the [0001] crystallographic direction. The stress-strain curves extracted here could be used for developing constitutive models for hydroxyapatite single crystals. PMID:21262492

A diamond-anvil high-pressure cell for X-ray diffraction on a single crystal

International Nuclear Information System (INIS)

Malinowski, M.

1987-01-01

A new diamond-anvil high-pressure cell is described which can be used in single-crystal X-ray diffraction instruments to collect X-ray intensity data from single-crystal samples up to hydrostatic pressures of about 10 GPa. A unique design allows two types of diffraction geometry to be applied in single-crystal high-pressure diffraction experiments. More than 85% of the Ewald sphere is accessible, and a continuous range of 2θ values is available from 0 up to about 160 0 . Pressure may be calibrated by the ruby fluorescence technique or by the use of an internal X-ray-standard single crystal. The design of our diamond-anvil cell would allow, with little or no modification, operation at high and low temperatures, optical studies and powder diffractometer work. (orig.)

Measuring diffusion-relaxation correlation maps using non-uniform field gradients of single-sided NMR devices.

Science.gov (United States)

Nogueira d'Eurydice, Marcel; Galvosas, Petrik

2014-11-01

Single-sided NMR systems are becoming a relevant tool in industry and laboratory environments due to their low cost, low maintenance and capacity to evaluate quantity and quality of hydrogen based materials. The performance of such devices has improved significantly over the last decade, providing increased field homogeneity, field strength and even controlled static field gradients. For a class of these devices, the configuration of the permanent magnets provides a linear variation of the magnetic field and can be used in diffusion measurements. However, magnet design depends directly on its application and, according to the purpose, the field homogeneity may significantly be compromised. This may prevent the determination of diffusion properties of fluids based on the natural inhomogeneity of the field using known techniques. This work introduces a new approach that extends the applicability of diffusion-editing CPMG experiments to NMR devices with highly inhomogeneous magnetic fields, which do not vary linearly in space. Herein, we propose a method to determine a custom diffusion kernel based on the gradient distribution, which can be seen as a signature of each NMR device. This new diffusion kernel is then utilised in the 2D inverse Laplace transform (2D ILT) in order to determine diffusion-relaxation correlation maps of homogeneous multi-phasic fluids. The experiments were performed using NMR MObile Lateral Explore (MOLE), which is a single-sided NMR device designed to maximise the volume at the sweet spot with enhanced depth penetration. Copyright © 2014 Elsevier Inc. All rights reserved.

Ordered macro-microporous metal-organic framework single crystals

KAUST Repository

Shen, Kui

2018-01-16

We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional-ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent-induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

Ordered macro-microporous metal-organic framework single crystals

Science.gov (United States)

Shen, Kui; Zhang, Lei; Chen, Xiaodong; Liu, Lingmei; Zhang, Daliang; Han, Yu; Chen, Junying; Long, Jilan; Luque, Rafael; Li, Yingwei; Chen, Banglin

2018-01-01

We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional–ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent–induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

Ordered macro-microporous metal-organic framework single crystals

KAUST Repository

Shen, Kui; Zhang, Lei; Chen, Xiaodong; Liu, Lingmei; Zhang, Daliang; Han, Yu; Chen, Junying; Long, Jilan; Luque, Rafael; Li, Yingwei; Chen, Banglin

2018-01-01

We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional-ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent-induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

Single-crystal-to-single-crystal transformation and solvochromic luminescence of a dinuclear gold(I)-(aza-[18]crown-6)dithiocarbamate compound.

Science.gov (United States)

Tzeng, Biing-Chiau; Chao, An

2015-01-26

The treatment of [AuCl(SMe2 )] with an equimolar amount of NaO5 NCS2 (O5 NCS2 =(aza-[18]crown-6)dithiocarbamate) in CH3 CN gave [Au2 (O5 NCS2 )2 ]⋅2 CH3 CN (2⋅2 CH3 CN), and its crystal structure displays a dinuclear gold(I)-azacrown ether ring and an intermolecular gold(I)⋅⋅⋅gold(I) contact of 2.8355(3) Å in crystal lattices. It is noted that two other single crystals of 2⋅tert-butylbenzene⋅H2 O and 2⋅0.5 m-xylene can be successfully obtained from a single-crystal-to-single-crystal (SCSC) transformation process by immersing single crystals of 2⋅2 CH3 CN in the respective solvents, and both also show intermolecular gold(I)⋅⋅⋅gold(I) contacts of 2.9420(5) and 2.890(2)-2.902(2) Å, respectively. Significantly, the emissions of all three 2⋅solvates are well correlated with their respective intermolecular gold(I)⋅⋅⋅gold(I) contacts, where such contacts increase with 2⋅2 CH3 CN (2.8355(3) Å)energies increase with 2⋅2 CH3 CN (602 nm)<2⋅0.5 m-xylene (583 nm)<2⋅tert-butylbenzene⋅H2 O (546 nm) as well. In this regard, we further examine the solvochromic luminescence for some other aromatics, and finally their emissions are within 546-602 nm. Obviously, the above results are mostly ascribed to the occurrence of intermolecular gold(I)⋅⋅⋅gold(I) contacts in 2⋅solvates, which are induced by the presence of various solvates in the solid state, as a key role to be responsible for their solvochromic luminescence. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Growth and characterization of air annealing Tb-doped YAG:Ce single crystal for white-light-emitting diode

International Nuclear Information System (INIS)

Gong, Maogao; Xiang, Weidong; Liang, Xiaojuan; Zhong, Jiasong; Chen, Daqin; Huang, Jun; Gu, Guorui; Yang, Cheng; Xiang, Run

2015-01-01

Highlights: • We report preparation of transparent Ce,Tb:YAG single crystal by Czochralski method. • The effect of annealing on Ce,Tb:YAG single crystal had been investigated. • The Ce,Tb:YAG single crystal after annealing exhibited better optical performance. • The Ce,Tb:YAG single crystal could be used as an ideal candidate for WLED. - Abstract: We report the preparation of transparent Ce and Tb co-doped Y 3 Al 5 O 12 single crystal by the Czochralski method. The characterization of the resulting single crystal was accomplished by using X-ray powder diffractometer, scanning electron microscopy and energy dispersive X-ray spectroscopy. Absorption peak of the single crystal at about 460 nm has been obtained from ultraviolet–visible absorption spectrometer and their intensity is changed with different annealing condition. Its optical properties also have been investigated using fluorescence spectrometer. What’s more, its photoelectric parameters were studied by LED fast spectrometer. The constructed single crystal based white-light-emitting diode exhibits a high luminous efficiency of 140.89 lm/W, and a correlated color temperature of 4176 K as well as a color rendering index of 56.7, which reveal the prominent feasibility of the present single crystal material in white-light-emitting diode application

Growth and characterization of air annealing Tb-doped YAG:Ce single crystal for white-light-emitting diode

Energy Technology Data Exchange (ETDEWEB)

Gong, Maogao [College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou 325035 (China); Xiang, Weidong, E-mail: xiangweidong001@126.com [College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou 325035 (China); Liang, Xiaojuan [College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou 325035 (China); Zhong, Jiasong; Chen, Daqin [College of Materials & Environmental Engineering, Hangzhou Dianzi University, Hangzhou 310018 (China); Huang, Jun; Gu, Guorui; Yang, Cheng; Xiang, Run [College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou 325035 (China)

2015-08-05

Highlights: • We report preparation of transparent Ce,Tb:YAG single crystal by Czochralski method. • The effect of annealing on Ce,Tb:YAG single crystal had been investigated. • The Ce,Tb:YAG single crystal after annealing exhibited better optical performance. • The Ce,Tb:YAG single crystal could be used as an ideal candidate for WLED. - Abstract: We report the preparation of transparent Ce and Tb co-doped Y{sub 3}Al{sub 5}O{sub 12} single crystal by the Czochralski method. The characterization of the resulting single crystal was accomplished by using X-ray powder diffractometer, scanning electron microscopy and energy dispersive X-ray spectroscopy. Absorption peak of the single crystal at about 460 nm has been obtained from ultraviolet–visible absorption spectrometer and their intensity is changed with different annealing condition. Its optical properties also have been investigated using fluorescence spectrometer. What’s more, its photoelectric parameters were studied by LED fast spectrometer. The constructed single crystal based white-light-emitting diode exhibits a high luminous efficiency of 140.89 lm/W, and a correlated color temperature of 4176 K as well as a color rendering index of 56.7, which reveal the prominent feasibility of the present single crystal material in white-light-emitting diode application.

Antimicrobial activity and second harmonic studies on organic non-centrosymmetric pure and doped ninhydrin single crystals

Science.gov (United States)

Prasanyaa, T.; Jayaramakrishnan, V.; Haris, M.

2013-03-01

In this paper, we report the successful growth of pure, Cu2+ ions and Cd2+ ions doped on ninhydrin single crystals by slow solvent evaporation technique. The presence of Cu2+ and Cd2+ ions in the specimen of ninhydrin single crystal has been determined by atomic absorption spectroscopy. The powder X-ray diffraction analysis was done to calculate the lattice parameters of the pure and doped crystals. The percentage of transmittance of the crystal was recorded using the UV-Vis Spectrophotometer. Thermal behaviors of the grown crystals have been examined by the thermal gravimetric/differential thermal analysis. The hardness of the grown crystals was assessed and the results show the minor variation in the hardness value for the pure and doped ninhydrin samples. The value of the work hardening coefficient n was found to be 2.0, 1.0 and 1.06 for pure, copper and cadmium doped ninhydrin crystals respectively. The second harmonic generation efficiency of Cd2+ and Cu2+ doped ninhydrin is 8.3 and 6.3 times greater than well known nonlinear crystal of potassium dihydrogen phosphate respectively. The antibacterial and antifungal activities of the title compound were performed by disk diffusion method against the standard bacteria Escherichia coli, Xanthomonas oryzae and against the fungus Aspergillis niger and Aspergillus flavus.

Functional studies using NMR

International Nuclear Information System (INIS)

McCready, V.R.; Leach, M.; Ell, P.J.

1987-01-01

This volume is based on a series of lectures delivered at a one-day teaching symposium on functional and metabolic aspects of NMR measurements held at the Middlesex Hospital Medical School on 1st September 1985 as a part of the European Nuclear Medicine Society Congress. Currently the major emphasis in medical NMR in vivo is on its potential to image and display abnormalities in conventional radiological images, providing increased contrast between normal and abnormal tissue, improved definition of vasculature, and possibly an increased potential for differential diagnosis. Although these areas are undeniably of major importance, it is probable that NMR will continue to complement conventional measurement methods. The major potential benefits to be derived from in vivo NMR measurements are likely to arise from its use as an instrument for functional and metabolic studies in both clinical research and in the everyday management of patients. It is to this area that this volume is directed

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

CERN Document Server

Onodera, A; Yamashita, H

2003-01-01

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

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)

NMR study of hexanucleotide d(CCGCGG)2 containing two triplet repeats of fragile X syndrome

International Nuclear Information System (INIS)

Monleon, Daniel; Esteve, Vicent; Celda, Bernardo

2003-01-01

Long repeated stretches of d(CCG) and tri-nucleotide are crucial mutations that cause hereditary forms of mental retardation (fragile X-syndrome). Moreover, the alternating (CG) di-nucleotide is one of the candidates for Z-DNA conformation. Solution NMR structure of d(CCGCGG) 2 has been solved and is discussed. The determined NMR solution structure is a distorted highly bent B-DNA conformation with increased flexibility in both terminal residues. This conformation differs significantly from the Z-DNA tetramer structure reported for the same hexamer in the crystal state at similar ionic strength by Malinina and co-workers. Crystal structure of d(CCGCGG) 2 at high salt concentration includes a central alternating tetramer in Z-DNA conformation, while the initial cytosine swings out and forms a Watson-Crick base-pair with the terminal guanine of a symmetry-related molecule. In solution, NMR data for sugar ring puckering combined with restrained molecular dynamics simulations starting from a Z-DNA form show that terminal furanose residues could adopt the conformation required for aromatic bases swinging out. Therefore, tetramer formation could be considered possible once the hexanucleotide had previously adopted the Z-DNA form. This work gives some insight into correlations between anomalous crystal structures and their accessibility in the solution state

High definition TV projection via single crystal faceplate technology

Science.gov (United States)

Kindl, H. J.; St. John, Thomas

1993-03-01

Single crystal phosphor faceplates are epitaxial phosphors grown on crystalline substrates with the advantages of high light output, resolution, and extended operational life. Single crystal phosphor faceplate industrial technology in the United States is capable of providing a faceplate appropriate to the projection industry of up to four (4) inches in diameter. Projection systems incorporating cathode ray tubes utilizing single crystal phosphor faceplates will produce 1500 lumens of white light with 1000 lines of resolution, non-interlaced. This 1500 lumen projection system will meet all of the currently specified luminance and resolution requirements of Visual Display systems for flight simulators. Significant logistic advantages accrue from the introduction of single crystal phosphor faceplate CRT's. Specifically, the full performance life of a CRT is expected to increase by a factor of five (5); ie, from 2000 to 10,000 hours of operation. There will be attendant reductions in maintenance time, spare CRT requirements, system down time, etc. The increased brightness of the projection system will allow use of lower gain, lower cost simulator screen material. Further, picture performance characteristics will be more balanced across the full simulator.

Elastic properties of Ti-24Nb-4Zr-8Sn single crystals with bcc crystal structure

International Nuclear Information System (INIS)

Zhang, Y.W.; Li, S.J.; Obbard, E.G.; Wang, H.; Wang, S.C.; Hao, Y.L.; Yang, R.

2011-01-01

Research highlights: → The single crystals of Ti2448 alloy with the bcc crystal structure were prepared. → The elastic moduli and constants were measured by several resonant methods. → The crystal shows significant elastic asymmetry in tension and compression. → The crystal exhibits weak nonlinear elasticity with large elastic strain ∼2.5%. → The crystal has weak atomic interactions against crystal distortion to low symmetry. - Abstract: Single crystals of Ti2448 alloy (Ti-24Nb-4Zr-8Sn in wt.%) were grown successfully using an optical floating-zone furnace. Several kinds of resonant methods gave consistent Young's moduli of 27.1, 56.3 and 88.1 GPa and shear moduli of 34.8, 11.0 and 14.6 GPa for the , and oriented single crystals, and C 11 , C 12 and C 44 of 57.2, 36.1 and 35.9 GPa respectively. Uniaxial testing revealed asymmetrical elastic behaviors of the crystals: tension caused elastic softening with a large reversible strain of ∼4% and a stress plateau of ∼250 MPa, whereas compression resulted in gradual elastic stiffening with much smaller reversible strain. The crystals exhibited weak nonlinear elasticity with a large elastic strain of ∼2.5% and a high strength, approaching ∼20% and ∼30% of its ideal shear and ideal tensile strength respectively. The crystals showed linear elasticity with a small elastic strain of ∼1%. These elastic deformation characteristics have been interpreted in terms of weakened atomic interactions against crystal distortion to low crystal symmetry under external applied stresses. These results are consistent with the properties of polycrystalline Ti2448, including high strength, low elastic modulus, large recoverable strain and weak strengthening effect due to grain refinement.

Defect free single crystal thin layer

KAUST Repository

Elafandy, Rami Tarek Mahmoud

2016-01-28

A gallium nitride film can be a dislocation free single crystal, which can be prepared by irradiating a surface of a substrate and contacting the surface with an etching solution that can selectively etch at dislocations.

Defect free single crystal thin layer

KAUST Repository

Elafandy, Rami Tarek Mahmoud; Ooi, Boon S.

2016-01-01

A gallium nitride film can be a dislocation free single crystal, which can be prepared by irradiating a surface of a substrate and contacting the surface with an etching solution that can selectively etch at dislocations.

In situ NMR and electrochemical quartz crystal microbalance techniques reveal the structure of the electrical double layer in supercapacitors

Science.gov (United States)

Griffin, John M.; Forse, Alexander C.; Tsai, Wan-Yu; Taberna, Pierre-Louis; Simon, Patrice; Grey, Clare P.

2015-08-01

Supercapacitors store charge through the electrosorption of ions on microporous electrodes. Despite major efforts to understand this phenomenon, a molecular-level picture of the electrical double layer in working devices is still lacking as few techniques can selectively observe the ionic species at the electrode/electrolyte interface. Here, we use in situ NMR to directly quantify the populations of anionic and cationic species within a working microporous carbon supercapacitor electrode. Our results show that charge storage mechanisms are different for positively and negatively polarized electrodes for the electrolyte tetraethylphosphonium tetrafluoroborate in acetonitrile; for positive polarization charging proceeds by exchange of the cations for anions, whereas for negative polarization, cation adsorption dominates. In situ electrochemical quartz crystal microbalance measurements support the NMR results and indicate that adsorbed ions are only partially solvated. These results provide new molecular-level insight, with the methodology offering exciting possibilities for the study of pore/ion size, desolvation and other effects on charge storage in supercapacitors.

Effect of Crystal Orientation on Fatigue Failure of Single Crystal Nickel Base Turbine Blade Superalloys

Science.gov (United States)

Arakere, Nagaraj K.; Swanson, Gregory R.

2000-01-01

High Cycle Fatigue (HCF) induced failures in aircraft gas-turbine engines is a pervasive problem affecting a wide range of components and materials. HCF is currently the primary cause of component failures in gas turbine aircraft engines. Turbine blades in high performance aircraft and rocket engines are increasingly being made of single crystal nickel superalloys. Single-crystal Nickel-base superalloys were developed to provide superior creep, stress rupture, melt resistance and thermomechanical fatigue capabilities over polycrystalline alloys previously used in the production of turbine blades and vanes. Currently the most widely used single crystal turbine blade superalloys are PWA 1480/1493 and PWA 1484. These alloys play an important role in commercial, military and space propulsion systems. PWA1493, identical to PWA1480, but with tighter chemical constituent control, is used in the NASA SSME (Space Shuttle Main Engine) alternate turbopump, a liquid hydrogen fueled rocket engine. Objectives for this paper are motivated by the need for developing failure criteria and fatigue life evaluation procedures for high temperature single crystal components, using available fatigue data and finite element modeling of turbine blades. Using the FE (finite element) stress analysis results and the fatigue life relations developed, the effect of variation of primary and secondary crystal orientations on life is determined, at critical blade locations. The most advantageous crystal orientation for a given blade design is determined. Results presented demonstrates that control of secondary and primary crystallographic orientation has the potential to optimize blade design by increasing its resistance to fatigue crack growth without adding additional weight or cost.

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

Science.gov (United States)

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

2013-04-01

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

Structures, equilibria and ligand exchange dynamics in the binary and ternary dioxouranium(VI)-ethylenediamine-N-N'-diacetic acid - fluoride system; a potentiometric, NMR and X-ray study

International Nuclear Information System (INIS)

Palladino, G.; Szabo, Z.; Fischer, A.; Grenthe, I.

2005-01-01

Full text of publication follows: The structure, thermodynamics and kinetics of the binary and ternary Uranyl(VI)- ethylenediamine- N-N'-di-acetate (in the following denoted EDDA) fluoride system have been studied using potentiometry, 1 H, 19 F NMR and a single-crystal X-ray determination. The potentiometric data were obtained using measurements of the free hydrogen ion and fluoride concentrations with glass and fluoride electrodes, respectively. The experimental data were used to deduce stoichiometry and equilibrium constants using a least square refinements programme. The UO 2 2+ - EDDA system could be studied up to -log[H 3 O + ] 3.4, after which a precipitate was formed. The test solutions contained two binary complexes, the uncharged UO 2 (EDDA)(aq) and UO 2 (H 3 EDDA) 3+ , with equilibrium constants log β(UO 2 EDDA) = 11.63 ± 0.02 and log β(UO 2 H 3 EDDA 3+ ) = 1.77 ± 0.04, respectively. By using fluoride as additional ligand the solubility increases because of the formation of very stable ternary complexes that allowed an experimental study over a larger pH range. The structure of the complexes in the ternary system was deduced using a combination of 1 H and 19 F NMR spectroscopy. The 19 F NMR spectra at lower pH, had peaks from the binary fluoride complexes (UO 2 F + , UO 2 F 2 (aq) and UO 2 F 3 - ) that could be used to obtain information on the equilibrium constants in the ternary system; at -log[H 3 O + ] > 4.7 new signals for the complexes (UO 2 ) 2 (EDDA) 2 F 2 2- , and UO 2 (EDDA)F - were observed. The analyses of 1 H NMR spectra indicate clearly that the EDDA ligand is chelate bonded in UO 2 (EDDA)F-. The fluorine exchange between UO 2 (EDDA)F- and UO 2 F 3 - was studied using 19 F NMR line-broadening technique. The experimental rate constant is k obs = k 0 + k 1 [UO 2 F 3 - ], with k 0 (3.24 ± 0.06) 10 2 s -1 and k 1 = (71.2 ± 2.3) 10 3 M -1 s -1 .The rate and the activation parameters for the exchange between UO 2 (EDDA)F - complex and free

Acquisition of Single Crystal Growth and Characterization Equipment. Final report

International Nuclear Information System (INIS)

Maple, M. Brian; Zocco, Diego A.

2008-01-01

Final Report for DOE Grant No. DE-FG02-04ER46178 'Acquisition of Single Crystal Growth and Characterization Equipment'. There is growing concern in the condensed matter community that the need for quality crystal growth and materials preparation laboratories is not being met in the United States. It has been suggested that there are too many researchers performing measurements on too few materials. As a result, many user facilities are not being used optimally. The number of proficient crystal growers is too small. In addition, insufficient attention is being paid to the enterprise of finding new and interesting materials, which is the driving force behind much of condensed matter research and, ultimately, technology. While a detailed assessment of this situation is clearly needed, enough evidence of a problem already exists to compel a general consensus that the situation must be addressed promptly. This final report describes the work carried out during the last four years in our group, in which a state-of-the-art single crystal growth and characterization facility was established for the study of novel oxides and intermetallic compounds of rare earth, actinide and transition metal elements. Research emphasis is on the physics of superconducting (SC), magnetic, heavy fermion (HF), non-Fermi liquid (NFL) and other types of strongly correlated electron phenomena in bulk single crystals. Properties of these materials are being studied as a function of concentration of chemical constituents, temperature, pressure, and magnetic field, which provide information about the electronic, lattice, and magnetic excitations at the root of various strongly correlated electron phenomena. Most importantly, the facility makes possible the investigation of material properties that can only be achieved in high quality bulk single crystals, including magnetic and transport phenomena, studies of the effects of disorder, properties in the clean limit, and spectroscopic and scattering

High Performance Relaxor-Based Ferroelectric Single Crystals for Ultrasonic Transducer Applications

Directory of Open Access Journals (Sweden)

Yan Chen

2014-07-01

Full Text Available Relaxor-based ferroelectric single crystals Pb(Mg1/3Nb2/3O3-PbTiO3 (PMN-PT have drawn much attention in the ferroelectric field because of their excellent piezoelectric properties and high electromechanical coupling coefficients (d33~2000 pC/N, kt~60% near the morphotropic phase boundary (MPB. Ternary Pb(In1/2Nb1/2O3-Pb(Mg1/3Nb2/3O3-PbTiO3 (PIN-PMN-PT single crystals also possess outstanding performance comparable with PMN-PT single crystals, but have higher phase transition temperatures (rhombohedral to tetragonal Trt, and tetragonal to cubic Tc and larger coercive field Ec. Therefore, these relaxor-based single crystals have been extensively employed for ultrasonic transducer applications. In this paper, an overview of our work and perspectives on using PMN-PT and PIN-PMN-PT single crystals for ultrasonic transducer applications is presented. Various types of single-element ultrasonic transducers, including endoscopic transducers, intravascular transducers, high-frequency and high-temperature transducers fabricated using the PMN-PT and PIN-PMN-PT crystals and their 2-2 and 1-3 composites are reported. Besides, the fabrication and characterization of the array transducers, such as phased array, cylindrical shaped linear array, high-temperature linear array, radial endoscopic array, and annular array, are also addressed.

The microscopic NMR probe in chiral magnets. Zero field-, field-modulated- and Skyrmion- states in FeGe and MnSi

Energy Technology Data Exchange (ETDEWEB)

Baenitz, Michael; Yasuoka, Hiroshi; Majumder, Mayukh; Khuntia, Panchanan; Schmidt, Marcus [MPI for the Chemical Physics of Solids, Dresden (Germany); Witt, Sebastian; Krellner, Cornelius [Goethe University, Frankfurt am Main (Germany)

2016-07-01

Cubic FeGe is a prototype B20 chiral magnet (T{sub c} = 280 K) which allows to study chiral correlations directly ''on-site'' via the{sup 57}Fe nucleus because of its S=1/2 nuclear spin interacting only with the electron spin moment. NMR provides the static and dynamic staggered local magnetization M{sub Q} through the hyperfine field (H{sub hf}) and the spin lattice relaxation rate (SLRR = 1/T{sub 1}). Measurements were performed on randomly oriented {sup 57}Fe enriched FeGe single crystals between 2-300 K. Helical-, conical- and field-polarized-states could be clearly identified and spin dynamics of each phase was investigated. MnSi single crystals and {sup 29}Si enriched MnSi polycrystals were studied by {sup 29}Si-NMR (S=1/2) in the ordered state (T{sub c} = 29 K) and above. The T- and H- dependence of H{sub hf} and SLRR was investigated in great detail for both FeGe and MnSi.The {sup 29}Si-NMR lines in MnSi are narrow and H{sub hf}-values obtained are smaller than in FeGe. Our results are in general accordance with the extended SCR theory for itinerant helical magnets, although the theory does not include the symmetry breaking in the B20 structure and the multi-band nature. For FeGe correlations are complex due to its more localized magnetism.

NMR studies of Costa-type organocobalt compounds. Structural characterization of several 1,5,6-trimethylbenzimidazole complexes

International Nuclear Information System (INIS)

Parker, W.O. Jr.; Zangrando, E.; Bresciani-Pahor, N.; Marzilli, P.A.; Randaccio, E.; Marzilli, L.G.

1988-01-01

The structure of L exchange data have been examined for Costa models containing 1,5,6-trimethylbenzimidazole, the base most appropriate for comparison with cobaltamines. The crystal structure and 1 H and 13 C NMR data for the complexes are also presented. The 1 H and 13 C NMR data are compared with data available for cobaloximes. 45 references, 5 figures, 16 tables

CH3NH3PbCl3 Single Crystals: Inverse Temperature Crystallization and Visible-Blind UV-Photodetector

KAUST Repository

Maculan, Giacomo; Sheikh, Arif D.; Abdelhady, Ahmed L.; Saidaminov, Makhsud I.; Haque, Mohammed; Banavoth, Murali; Alarousu, Erkki; Mohammed, Omar F.; Wu, Tao; Bakr, Osman

2015-01-01

a new method of sizeable CH3NH3PbCl3 single crystal growth based on retrograde solubility behavior of hybrid perovskites. We show, for the first time, the energy band structure, charge-carrier recombination and transport properties of single crystal

Highly efficient single-pass sum frequency generation by cascaded nonlinear crystals

DEFF Research Database (Denmark)

Hansen, Anders Kragh; Andersen, Peter E.; Jensen, Ole Bjarlin

2015-01-01

, despite differences in the phase relations of the involved fields. An unprecedented 5.5 W of continuous-wave diffraction-limited green light is generated from the single-pass sum frequency mixing of two diode lasers in two periodically poled nonlinear crystals (conversion efficiency 50%). The technique......The cascading of nonlinear crystals has been established as a simple method to greatly increase the conversion efficiency of single-pass second-harmonic generation compared to a single-crystal scheme. Here, we show for the first time that the technique can be extended to sum frequency generation...... is generally applicable and can be applied to any combination of fundamental wavelengths and nonlinear crystals....

Synthesis, crystal structure, and magnetic properties of two-dimensional divalent metal glutarate/dipyridylamine coordination polymers, with a single crystal-to-single crystal transformation in the copper derivative

International Nuclear Information System (INIS)

Montney, Matthew R.; Supkowski, Ronald M.; Staples, Richard J.; LaDuca, Robert L.