Improving NASICON Sinterability through Crystallization under High Frequency Electrical Fields

Directory of Open Access Journals (Sweden)

Ilya eLisenker

2016-03-01

Full Text Available The effect of high frequency (HF electric fields on the crystallization and sintering rates of a lithium aluminum germanium phosphate (LAGP ion conducting ceramic was investigated. LAGP with the nominal composition Li1.5Al0.5Ge1.5(PO43 was crystallized and sintered, both conventionally and under effect of electrical field. Electrical field application, of 300V/cm at 1MHz, produced up to a 40% improvement in sintering rate of LAGP that was crystallized and sintered under the HF field. Heat sink effect of the electrodes appears to arrest thermal runaway and subsequent flash behavior. Sintered pellets were characterized using XRD, SEM, TEM and EIS to compare conventionally and field sintered processes. The as-sintered structure appears largely unaffected by the field as the sintering curves tend to converge beyond initial stages of sintering. Differences in densities and microstructure after 1 hour of sintering were minor with measured sintering strains of 31% vs. 26% with and without field, respectively . Ionic conductivity of the sintered pellets was evaluated and no deterioration due to the use of HF field was noted, though capacitance of grain boundaries due to secondary phases was significantly increased.

Crystal growth under external electric fields

International Nuclear Information System (INIS)

Uda, Satoshi; Koizumi, Haruhiko; Nozawa, Jun; Fujiwara, Kozo

2014-01-01

This is a review article concerning the crystal growth under external electric fields that has been studied in our lab for the past 10 years. An external field is applied electrostatically either through an electrically insulating phase or a direct injection of an electric current to the solid-interface-liquid. The former changes the chemical potential of both solid and liquid and controls the phase relationship while the latter modifies the transport and partitioning of ionic solutes in the oxide melt during crystallization and changes the solute distribution in the crystal

Crystal growth under external electric fields

Energy Technology Data Exchange (ETDEWEB)

Uda, Satoshi; Koizumi, Haruhiko; Nozawa, Jun; Fujiwara, Kozo [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan)

2014-10-06

This is a review article concerning the crystal growth under external electric fields that has been studied in our lab for the past 10 years. An external field is applied electrostatically either through an electrically insulating phase or a direct injection of an electric current to the solid-interface-liquid. The former changes the chemical potential of both solid and liquid and controls the phase relationship while the latter modifies the transport and partitioning of ionic solutes in the oxide melt during crystallization and changes the solute distribution in the crystal.

The effective crystal field potential

CERN Document Server

Mulak, J

2000-01-01

As it results from the very nature of things, the spherical symmetry of the surrounding of a site in a crystal lattice or an atom in a molecule can never occur. Therefore, the eigenfunctions and eigenvalues of any bound ion or atom have to differ from those of spherically symmetric respective free ions. In this way, the most simplified concept of the crystal field effect or ligand field effect in the case of individual molecules can be introduced. The conventional notion of the crystal field potential is narrowed to its non-spherical part only through ignoring the dominating spherical part which produces only a uniform energy shift of gravity centres of the free ion terms. It is well understood that the non-spherical part of the effective potential "seen" by open-shell electrons localized on a metal ion plays an essential role in most observed properties. Light adsorption, electron paramagnetic resonance, inelastic neutron scattering and basic characteristics derived from magnetic and thermal measurements, ar...

Improving NASICON Sinterability through Crystallization under High-Frequency Electrical Fields

Energy Technology Data Exchange (ETDEWEB)

Lisenker, Ilya; Stoldt, Conrad R., E-mail: stoldt@colorado.edu [Department of Mechanical Engineering, University of Colorado Boulder, Boulder, CO (United States)

2016-03-31

The effect of high-frequency (HF) electric fields on the crystallization and sintering rates of a lithium aluminum germanium phosphate (LAGP) ion conducting ceramic was investigated. LAGP with the nominal composition Li{sub 1.5}Al{sub 0.5}Ge{sub 1.5}(PO{sub 4}){sub 3} was crystallized and sintered, both conventionally and under effect of electrical field. Electrical field application, of 300 V/cm at 1 MHz, produced up to a 40% improvement in sintering rate of LAGP that was crystallized and sintered under the HF field. Heat sink effect of the electrodes appears to arrest thermal runaway and subsequent flash behavior. Sintered pellets were characterized using X-ray diffraction, scanning electron microscope, TEM, and electrochemical impedance spectroscopy to compare conventionally and field-sintered processes. The as-sintered structure appears largely unaffected by the field as the sintering curves tend to converge beyond initial stages of sintering. Differences in densities and microstructure after 1 h of sintering were minor with measured sintering strains of 31 vs. 26% with and without field, respectively. Ionic conductivity of the sintered pellets was evaluated, and no deterioration due to the use of HF field was noted, though capacitance of grain boundaries due to secondary phases was significantly increased.

Mixed spin Ising model with four-spin interaction and random crystal field

International Nuclear Information System (INIS)

Benayad, N.; Ghliyem, M.

2012-01-01

The effects of fluctuations of the crystal field on the phase diagram of the mixed spin-1/2 and spin-1 Ising model with four-spin interactions are investigated within the finite cluster approximation based on a single-site cluster theory. The state equations are derived for the two-dimensional square lattice. It has been found that the system exhibits a variety of interesting features resulting from the fluctuation of the crystal field interactions. In particular, for low mean value D of the crystal field, the critical temperature is not very sensitive to fluctuations and all transitions are of second order for any value of the four-spin interactions. But for relatively high D, the transition temperature depends on the fluctuation of the crystal field, and the system undergoes tricritical behaviour for any strength of the four-spin interactions. We have also found that the model may exhibit reentrance for appropriate values of the system parameters.

Crystal fields of dilute Tb, Dy, Ho, or Er in Lu obtained by magnetization measurements

International Nuclear Information System (INIS)

Touborg, P.; Hog, J.

1975-01-01

Magnetization measurements are reported on single crystals of dilute Tb, Dy, Ho, or Er in Lu. These measurements were performed in the temperature range 1.5--100 K and field range 0--6 T and include measurements of initial susceptibility, isothermal and isofield magnetization, and basal-plane anisotropy. The results show features similar to the corresponding Y-R alloys, where R is a rare earth. Crystal-field and molecular-field parameters could be unabiguously deduced from the experimental data. The effects of crystal-field level broadening were investigated and demonstrated for Ho. Comparison of the Y-R and Lu-R results makes possible an estimate of the crystal-field parameters in the pure-rare-earth metals

Stroboscopic topographies on iron borate crystal in 9.6 MHz rf magnetic field

International Nuclear Information System (INIS)

Mitsui, Takaya; Imai, Yasuhiko; Kikuta, Seishi

2003-01-01

The influence of magnetoacoustic wave on the crystal deformation was studied by stroboscopic double crystal X-ray topography. The acoustic wave was excited by the rf magnetic field, which was synchronized with synchrotron radiation X-ray pulse. In measured rocking curves of FeBO 3 (4 4 4) reflection, we observed, for the first time, that the application of rf magnetic field (|H rf | max >8.4 Oe) brought about the extreme narrowing of full width at half maximum (FWHM). Recorded topographs showed that the narrowing of FWHM was due to the magnetoacoustic standing wave which is excited in FeBO 3 crystal. In our experiments, the influence of additional static magnetic field on the magnetoacoustic standing wave of FeBO 3 crystal was investigated too

The effect of magnetic field on the shape of etch pits of paracetamol crystals

Energy Technology Data Exchange (ETDEWEB)

Ivashchenko, V.E. [Kemerovo State University, Novosibirsk (Russian Federation); Research and Educational Center, Novosibirsk State University (Russian Federation); Boldyrev, V.V.; Shakhtshneider, T.P. [Institute of Solid State Chemistry and Mechanochemistry, RAS, Novosibirsk (Russian Federation); Zakharov, Yu.A.; Krasheninin, V.I. [Kemerovo State University, Novosibirsk (Russian Federation); Ermakov, A.E. [Institute of Physics of Metals, Ural Branch of RAS, Ekaterinburg (Russian Federation)

2002-04-01

In the present study we investigate the effect of magnetic field on the shape of etch pits of the crystals of p-hydroxyacetanilide (paracetamol), which is widely used in pharmacy as antipyretic, antiphlogistic medicine. It was discovered that the magnetic field (H=0.5 T, {tau}=15 min) changes the morphology of etch pits and shifts dislocations in paracetamol crystal. Activation energy of the changes induced by the action of the magnetic field was determined to be 63 kJ/mol, which is comparable with the energy of hydrogen bonds in crystal lattice. (orig.)

Thermal conductivity of niobium single crystals in a magnetic field

International Nuclear Information System (INIS)

Gladun, C.; Vinzelberg, H.

1980-01-01

The thermal conductivity in longitudinal magnetic fields up to 5 T and in the temperature range 3.5 to 15 K is measured in two high purity niobium single crystals having residual resistivity ratios of 22700 and 19200 and orientations of the rod axis [110] and [100]. The investigations show that by means of the longitudinal magnetic field the thermal conductivity may decrease only to a limiting value. In the crystal directions [110] and [100] for the ratio of the thermal conductivity in zero field and the thermal conductivity in the saturation field the temperature-independent factors 1.92 and 1.27, respectively, are determined. With the aid of these factors the thermal conductivity in the normal state is evaluated from the measured values of thermal conductivity below Tsub(c) in the magnetic field. The different conduction and scattering mechanisms are discussed. (author)

Investigation of the thermoluminescent response of K2GdF5:Dy3+ crystals to photon radiation and neutron fields

International Nuclear Information System (INIS)

Silva, Edna C.; Faria, Luiz O.; Santos, Joelan A.L.; Vilela, Eudice C.

2009-01-01

The thermoluminescent (TL) properties of undoped and Dy 3+ doped K 2 GdF 5 crystals were investigated from the point of view of gamma and neutron dosimetry. Crystalline K 2 GdF 5 platelets with thickness of about 1 mm and doped with 0.0, 0.2, 1.0, 5.0 and 10.0 at.% Dy 3+ ions, synthesized under hydrothermal conditions, were irradiated in order to study TL sensitivity, as well as dose and energy response, reproducibility and fading. As it has been turned out, crystals doped with 5.0 at% Dy 3+ show the most efficient TL response and demonstrate a linear response to doses for all the radiation fields. TL glow curves from Dy 3+ doped K 2 GdF 5 crystals can be deconvoluted into four individual TL peaks centered at 153, 185, 216 and 234 deg C. Concerning the photon fields studied, the maximum TL response has been found for the 52.5 keV photons. The intensity is 15 times more than that of the response for the 662 keV photons from a Cs-137 source. On the other hand, the K 2 GdF 5 crystals doped with 5.0 at % Dy 3+ have also been found to have the better TL response for fast neutron radiation, among all dopants studied. For fast neutron radiation produced by a 241 Am-Be source, the TL responses for doses were also linear and comparable to that of commercial TLD-600, irradiated at same conditions. It has been established that the gamma sensitivity of the crystals is about 0.07% of the neutron sensitivity and the fast neutron sensitivity is about 4.5 % of the thermal neutron sensitivity. These results points out that K 2 Gd 0.95 Dy 0.05 F 5 crystals are good candidates for use in neutron dosimetry applications. (author)

Far-Field Focus and Dispersionless Anticrossing Bands in Two-Dimensional Photonic Crystals

Directory of Open Access Journals (Sweden)

Xiaoshuang Chen

2007-01-01

Full Text Available We review the simulation work for the far-field focus and dispersionless anticrossing bands in two-dimensional (2D photonic crystals. In a two-dimensional photonic-crystal-based concave lens, the far-field focus of a plane wave is given by the distance between the focusing point and the lens. Strong and good-quality far-field focusing of a transmitted wave, explicitly following the well-known wave-beam negative refraction law, can be achieved. The spatial frequency information of the Bloch mode in multiple Brillouin zones (BZs is investigated in order to indicate the wave propagation in two different regions. When considering the photonic transmission in a 2D photonic crystal composed of a negative phase-velocity medium (NPVM, it is shown that the dispersionless anticrossing bands are generated by the couplings among the localized surface polaritons of the NPVM rods. The photonic band structures of the NPVM photonic crystals are characterized by a topographical continuous dispersion relationship accompanied by many anticrossing bands.

Absorption measurement s in InSe single crystal under an applied electric field

International Nuclear Information System (INIS)

Ates, A.; Guerbulak, B.; Guer, E.; Yildirim, T.; Yildirim, M.

2002-01-01

InSe single crystal was grown by Bridgman-Stockberger method. Electric field effect on the absorption measurements have been investigated as a function of temperature in InSe single crystal. The absorption edge shifted towards longer wavelengths and decreased of intensity in absorption spectra under an electric field. Using absorption measurements, Urbach energy was calculated under an electric field. Applied electric field caused a increasing in the Urbach energy. At 10 K and 320 K, the first exciton energies were calculated as 1.350 and 1.311 eV for zero voltage and 1.334 and 1.301 eV for electric field respectively

Analyses of crystal field and exchange interaction of Dy3Ga5O12 under extreme conditions

International Nuclear Information System (INIS)

Wang Wei; Qi Xin; Yue Yuan

2011-01-01

This paper theoretically investigates the effects of crystal field and exchange interaction field on magnetic properties in dysprosium gallium garnet under extreme conditions (low temperatures and high magnetic fields) based on quantum theory. Here, five sets of crystal field parameters are discussed and compared. It demonstrates that, only considering the crystal field effect, the experiments can not be successfully explained. Thus, referring to the molecular field theory, an effective exchange field associated with the Dy—Dy exchange interaction is further taken into account. Under special consideration of crystal field and the exchange interaction field, it obtains an excellent agreement between the theoretical results and experiments, and further confirms that the exchange interaction field between rare-earth ions has great importance to magnetic properties in paramagnetic rare-earth gallium garnets. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Crystallization of inorganic salts from aqueous solutions in a microwave field

International Nuclear Information System (INIS)

Kochetkov, S. E.; Kuznetsov, V. A.; Lyashenko, A. V.; Bakshutov, V. S.

2006-01-01

The crystallization of some inorganic salts (KH 2 PO 4 , NaCl, Sr(NO 3 ) 2 , KNO 2 , Ca(OH) 2 ) by the thermal-gradient (with decreasing temperature) and solvent-evaporation methods using microwave heating of solutions is investigated. It is established that the growth rates of single crystals in a microwave field are an order of magnitude higher than obtained in other known techniques at comparable crystallization temperatures and supersaturations. For example, the growth rate of prismatic faces {100} of KH 2 PO 4 crystals is as high as 11 mm/day at supersaturations of ∼1.2%. The results obtained are discussed in the context of the effect of microwave radiation on the adsorption surface layers of crystals. Fine-grained phases of the salts under study are obtained by evaporation of the solvent

Simultaneous near field imaging of electric and magnetic field in photonic crystal nanocavities

NARCIS (Netherlands)

Vignolini, S.; Intonti, F.; Riboli, F.; Wiersma, D.S.; Balet, L.P.; Li, L.H.; Francardi, M.; Gerardino, A.; Fiore, A.; Gurioli, M.

2012-01-01

The insertion of a metal-coated tip on the surface of a photonic crystal microcavity is used for simultaneous near field imaging of electric and magnetic fields in photonic crystal nanocavities, via the radiative emission of embedded semiconductor quantum dots (QD). The photoluminescence intensity

Field-induced optically isotropic state in bent core nematic liquid crystals: unambiguous proof of field-induced optical biaxiality

International Nuclear Information System (INIS)

Elamain, Omaima; Komitov, Lachezar; Hegde, Gurumurthy; Fodor-Csorba, Katalin

2013-01-01

The behaviour of bent core (BC) nematic liquid crystals was investigated under dc applied electric field. The optically isotropic state of a sample containing BC nematic was observed under application of low dc electric fields. The quality of the dark state when the sample was inserted between two crossed polarizers was found to be superb and it did not change when rotating the sample between the polarizers. The coupling between the net molecular dipole moment and the applied dc electric field was considered as the origin of the out-of-plane switching of the BC molecules resulting in switching from the field-off bright state to the field-on dark state. The field-induced optically isotropic state is an unambiguous proof of the field-induced biaxiality in the BC nematic liquid crystal. A simple model explaining the appearance of the isotropic optical state in BC nematics and the switching of the sample slow axis between three mutually orthogonal directions under dc applied electric field is proposed. (paper)

Rotation of dust plasma crystals in an axial magnetic field

International Nuclear Information System (INIS)

Cheung, F.; Prior, N.; Mitchell, L.

2000-01-01

Full text: Micron-sized melamine formaldehyde particles were introduced into argon plasma. As a result, the particles were negatively charged due to collision with the electrons within the plasma. With the right conditions, these particles formed a stable macroscopic crystal lattice, known as dust plasma crystal. In our experiment we conduct at Flinders University, we apply an external axial magnetic field to various configurations of dust plasma crystal. These configurations include small crystal lattices consisting of one to several particles, and large crystal lattices with many hundreds of particles. The magnetic field strength ranged from 0-32G and was uniform over the extent of the crystal. The crystals were observed to be rotating collectively in the left-handed direction under the influence of the axial magnetic field. In the case of the large crystals, the angular velocity was about 2 complete rotations per minute and was proportional to the applied magnetic field. The angular velocity changes only slightly depending on the plasma conditions. Neither radial variance in the angular velocity nor shear velocity in the vertical direction was observed in the crystal's rotational motion. In the case of the small crystals, we managed to rotate 2-6 particles (whether they are planar, 2 layers or tetrahedral). We discovered that the ease and the uniformity of the rotation of the different crystals increase as its rotational symmetry increases. Also an increase in the magnetic field strength will correspond to an increase in the angular velocity. Crystals in the shape of an annulus were also tested for theoretical reasons. The poster presentation will contain the experimental procedures, a detailed analysis and an explanation for such dust plasma crystal rotational motion

Origin of gigantic magnetostriction and crystal field effects in terbium dititanate

International Nuclear Information System (INIS)

Aleksandrov, I.V.; Lidskij, B.V.; Mamsurova, L.G.

1985-01-01

The temperature and magnetic field dependences of the magnetostriction and magnetization and the temperature dependences of the magnetic susceptibility, specific heat and lattice parameter are investigated experimentally in a broad range of temperature and field strength for polycrystalline and single crystal Tb 2 Ti 2 O 7 . A conclusion is drawn regarding the structure of the energy levels of Tb 3+ in Tb 2 Ti 2 O 7 . A qualitative and quantitative explanation of all observed magnetic effects, and in particular of gigantic magnetostriction in Tb 2 Ti 2 O 7 , is presented which is based on the crystal field theory. It is shown that the huge magnitude of the magnetostriction in terbium dititanate is due to the specificity of the energy spectrum of Tb 3+ in Tb 2 Ti 2 O 7

Effect of grain boundary on the field-effect mobility of microrod single crystal organic transistors.

Science.gov (United States)

Kim, Jaekyun; Kang, Jingu; Cho, Sangho; Yoo, Byungwook; Kim, Yong-Hoon; Park, Sung Kyu

2014-11-01

High-performance microrod single crystal organic transistors based on a p-type 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT) semiconductor are fabricated and the effects of grain boundaries on the carrier transport have been investigated. The spin-coating of C8-BTBT and subsequent solvent vapor annealing process enabled the formation of organic single crystals with high aspect ratio in the range of 10 - 20. It was found that the organic field-effect transistors (OFETs) based on these single crystals yield a field-effect mobility and an on/off current ratio of 8.04 cm2/Vs and > 10(5), respectively. However, single crystal OFETs with a kink, in which two single crystals are fused together, exhibited a noticeable drop of field-effect mobility, and we claim that this phenomenon results from the carrier scattering at the grain boundary.

Temperature fields in a growing solar silicon crystal

Directory of Open Access Journals (Sweden)

Kondrik A. I.

2012-06-01

Full Text Available The optimal thermal terms for growing by Czochralski method Si single-crystals, suitable for making photoelectric energy converters, has been defined by the computer simulation method. Dependences of temperature fields character and crystallization front form on the diameter of the crystal, stage and speed of growing, and also on correlation between diameter and height of the crystal has been studied.

Crystal Growth of High-Quality Protein Crystals under the Presence of an Alternant Electric Field in Pulse-Wave Mode, and a Strong Magnetic Field with Radio Frequency Pulses Characterized by X-ray Diffraction

Directory of Open Access Journals (Sweden)

Adela Rodríguez-Romero

2017-06-01

Full Text Available The first part of this research was devoted to investigating the effect of alternate current (AC using four different types of wave modes (pulse-wave at 2 Hz on the crystal growth of lysozyme in solution. The best results, in terms of size and crystal quality, were obtained when protein crystals were grown under the influence of electric fields in a very specific wave mode (“breathing” wave, giving the highest resolution up to 1.34 Å in X-ray diffraction analysis compared with controls and with those crystals grown in gel. In the second part, we evaluated the effect of a strong magnetic field of 16.5 Tesla combined with radiofrequency pulses of 0.43 μs on the crystal growth in gels of tetragonal hen egg white (HEW lysozyme. The lysozyme crystals grown, both in solution applying breathing-wave and in gel under the influence of this strong magnetic field with pulses of radio frequencies, produced the larger-in-size crystals and the highest resolution structures. Data processing and refinement statistics are very good in terms of the resolution, mosaicity and Wilson B factor obtained for each crystal. Besides, electron density maps show well-defined and distinctly separated atoms at several selected tryptophan residues for the crystal grown using the “breathing wave pulses”.

Oxidation and crystal field effects in uranium

Energy Technology Data Exchange (ETDEWEB)

Tobin, J. G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Booth, C. H. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Shuh, D. K. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); van der Laan, G. [Diamond Light Source, Didcot (United Kingdom); Sokaras, D. [Stanford Synchrotron Radiation Lightsource, Stanford, CA (United States); Weng, T. -C. [Stanford Synchrotron Radiation Lightsource, Stanford, CA (United States); Yu, S. W. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Bagus, P. S. [Univ. of North Texas, Denton, TX (United States); Tyliszczak, T. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Nordlund, D. [Stanford Synchrotron Radiation Lightsource, Stanford, CA (United States)

2015-07-06

An extensive investigation of oxidation in uranium has been pursued. This includes the utilization of soft x-ray absorption spectroscopy, hard x-ray absorption near-edge structure, resonant (hard) x-ray emission spectroscopy, cluster calculations, and a branching ratio analysis founded on atomic theory. The samples utilized were uranium dioxide (UO₂), uranium trioxide (UO₃), and uranium tetrafluoride (UF₄). As a result, a discussion of the role of non-spherical perturbations, i.e., crystal or ligand field effects, will be presented.

Investigation of pyroelectric electron emission from monodomain lithium niobate single crystals

International Nuclear Information System (INIS)

Bourim, El Mostafa; Moon, Chang-Wook; Lee, Seung-Woon; Kyeong Yoo, In

2006-01-01

The behaviors of thermally stimulated electron emission from pyroelectric monodomain lithium niobate single crystal (LiNbO 3 ) were investigated by utilizing a Si p-n junction photodiode as electron detector and a receptive electron beam resist (E-beam resist) as electron collector. In high vacuum (10 -6 Torr), the pyroelectric electron emission (PEE) was found to depend on the exposed emitting polar crystal surface (+Z face or -Z face) and was significantly influenced by the emitter-electron receiver gap distances. Thus, the PEE from +Z face was detected during heating and was activated, in small gaps ( 2 mm) the emission was simply mastered by field emission effect. Whereas, The PEE from -Z face was detected during cooling and was solely due to the field ionization effect. Therewith, for small gaps ( 2 mm) PEE was governed by field ionization generating a soft and continuous plasma ambient atmosphere. Significant decrease of electron emission current was observed from +Z face after successive thermal cycles. A fast and fully emission recovery was established after a brief exposure of crystal to a poor air vacuum of 10 -1 Torr

An Overview of Hardware for Protein Crystallization in a Magnetic Field

Directory of Open Access Journals (Sweden)

Er-Kai Yan

2016-11-01

Full Text Available Protein crystallization under a magnetic field is an interesting research topic because a magnetic field may provide a special environment to acquire improved quality protein crystals. Because high-quality protein crystals are very useful in high-resolution structure determination using diffraction techniques (X-ray, neutron, and electron diffraction, research using magnetic fields in protein crystallization has attracted substantial interest; some studies have been performed in the past two decades. In this research field, the hardware is especially essential for successful studies because the environment is special and the design and utilization of the research apparatus in such an environment requires special considerations related to the magnetic field. This paper reviews the hardware for protein crystallization (including the magnet systems and the apparatus designed for use in a magnetic field and progress in this area. Future prospects in this field will also be discussed.

Local fields in ionic crystals

International Nuclear Information System (INIS)

Claro, F.

1981-08-01

Local fields arising from the electronic distortion in perfect ionic crystals are described in terms of multipolar excitations. Field factors for the alkali halides and chalcogenide ions are found to differ significantly from the Lorentz value of 4π/3, the correction size following an exponential dependence on the difference in ionic radii. Local fields are only slightly modified by these corrections however, and together with the Clausius-Mossotti relation may be regarded as accurate to within 2% if the Lorentz value is adopted. (author)

Scanning near-field optical microscopy of quantum dots in photonic crystal cavities

Energy Technology Data Exchange (ETDEWEB)

Skacel, Matthias; Fiore, Andrea [COBRA Research Institute, Technical University Eindhoven, Den Dolech 2, 5600 MB Eindhoven (Netherlands); Prancardi, Marco; Gerardino, Annamaria [Institute of Photonics and Nanotechnology, CNR, via del Cineto Romano 42, 00156 Roma (Italy); Alloing, Blandine; Li Lianhe, E-mail: m.s.skacel@tue.n [Institute of Photonics and Quantum Electronics, EPFL, CH-1015 Lausanne (Switzerland)

2010-09-01

Nanophotonic devices are of major interest for research and future quantum communication applications. Due to their nanometer feature size the resolution limit of far-field microscopy poses a limitation on the characterization of their optical properties. A method to overcome the resolution limit is the Scanning Near-Field Optical Microscope (SNOM). By approaching a fiber tip into the close vicinity of the sample the optical emission in the near-field regime is collected. This way of collecting the light is not affected by the diffraction limit. We employ a low temperature SNOM to investigate the photoluminescence of InAs QDs emitting at 1300nm wavelength embedded in photonic crystal cavities. At each location of an image scan the tip is stopped and a spectrum is acquired. We then plot maps of the photoluminescence for each wavelength. With this instrument it is now possible to directly observe the coupling of QDs to photonic crystal cavities both spectrally and spatially. We show first results of photoluminescence mapping of InAs QDs in photonic crystal cavities.

Mapping the absolute electromagnetic field strength of individual field components inside a photonic crystal

NARCIS (Netherlands)

Denis, T.; Reijnders, B.; Lee, J.H.H.; Vos, Willem L.; Boller, Klaus J.; van der Slot, Petrus J.M.

2013-01-01

We present a method to map the absolute electromagnetic field strength inside photonic crystals. We demonstrate our method by applying it to map the electric field component Ez of a two-dimensional photonic crystal slab at microwave frequencies. The slab is placed between two mirrors to create a

Method for fitting crystal field parameters and the energy level fitting for Yb3+ in crystal SC2O3

International Nuclear Information System (INIS)

Qing-Li, Zhang; Kai-Jie, Ning; Jin, Xiao; Li-Hua, Ding; Wen-Long, Zhou; Wen-Peng, Liu; Shao-Tang, Yin; Hai-He, Jiang

2010-01-01

A method to compute the numerical derivative of eigenvalues of parameterized crystal field Hamiltonian matrix is given, based on the numerical derivatives the general iteration methods such as Levenberg–Marquardt, Newton method, and so on, can be used to solve crystal field parameters by fitting to experimental energy levels. With the numerical eigenvalue derivative, a detailed iteration algorithm to compute crystal field parameters by fitting experimental energy levels has also been described. This method is used to compute the crystal parameters of Yb 3+ in Sc 2 O 3 crystal, which is prepared by a co-precipitation method and whose structure was refined by Rietveld method. By fitting on the parameters of a simple overlap model of crystal field, the results show that the new method can fit the crystal field energy splitting with fast convergence and good stability. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Electrical resistance of flaky crystals in the longitudinal quantizing magnetic field

International Nuclear Information System (INIS)

Askerov, B.M.; Figarova, S.R.; Makhmudov, M.M.

2005-01-01

Specific resistance of the quasi-two-dimensional electrical gas in the longitudinal quantizing magnetic field is investigated in this work. Common expression for resistivity in the flaky crystals was received. In quantum limit was analyzed dependence of the resistivity from the size of magnetic field and parameters energetic spectra in case of strong degenerate gas. It was tagged that, the conduct of specific resistance is formed by the dependence of chemical potential from the size of magnetic field. At the defined value of the chemical potential and size of magnetic field obtains inflation of the specific resistance. (author)

Numerical Investigation of the Effect of Bottom Shape on the Flow Field and Particle Suspension in a DTB Crystallizer

Directory of Open Access Journals (Sweden)

Hao Pan

2016-01-01

Full Text Available The influence of the bottom shape on the flow field distribution and particle suspension in a DTB crystallizer was investigated by Computational Fluid Dynamics (CFD coupled with Two-Fluid Model (Eulerian model. Volume fractions of three sections were monitored on time, and effect on particle suspension could be obtained by analyzing the variation tendency of volume fraction. The results showed that the protruding part of a W type bottom could make the eddies smaller, leading to the increase of velocity in the vortex. Modulating the detailed structure of the W type bottom to make the bottom surface conform to the streamlines can reduce the loss of the kinetic energy of the flow fluid and obtain a larger flow velocity, which made it possible for the particles in the bottom to reach a better suspension state. Suitable shape parameters were also obtained; the concave and protruding surface diameter are 0.32 and 0.373 times of the cylindrical shell diameter, respectively. It is helpful to provide a theoretical guidance for optimization of DTB crystallizer.

Enhancement of crystal homogeneity of protein crystals under application of an external alternating current electric field

Energy Technology Data Exchange (ETDEWEB)

Koizumi, H.; Uda, S.; Fujiwara, K.; Nozawa, J. [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, 980-8577 (Japan); Tachibana, M. [Graduate School of Nanobioscience, Yokohama City University, 22-2 Seto, Kanazawa-ku, Yokohama, 236-0027 (Japan); Kojima, K. [Department of Education, Yokohama Soei University, 1 Miho-tyou, Midori-ku, Yokohama, 226-0015 (Japan)

2014-10-06

X-ray diffraction rocking-curve measurements were performed on tetragonal hen egg white (HEW) lysozyme crystals grown with and without the application of an external alternating current (AC) electric field. The crystal quality was assessed by the full width at half maximum (FWHM) value for each rocking curve. For two-dimensional maps of the FWHMs measured on the 440 and the 12 12 0 reflection, the crystal homogeneity was improved under application of an external electric field at 1 MHz, compared with that without. In particular, the significant improvement of the crystal homogeneity was observed for the 12 12 0 reflection.

Control of spontaneous emission from a microwave-field-driven four-level atom in an anisotropic photonic crystal

Science.gov (United States)

Zhang, Duo; Li, Jiahua; Ding, Chunling; Yang, Xiaoxue

2012-05-01

The spontaneous emission properties of a microwave-field-driven four-level atom embedded in anisotropic double-band photonic crystals (PCs) are investigated. We discuss the influences of the band-edge positions, Rabi frequency and detuning of the microwave field on the emission spectrum. It is found that several interesting features such as spectral-line enhancement, spectral-line suppression, spectral-line overlap, and multi-peak structures can be observed in the spectra. The proposed scheme can be achieved by use of a microwave-coupled field into hyperfine levels in rubidium atom confined in a photonic crystal. These theoretical investigations may provide more degrees of freedom to manipulate the atomic spontaneous emission.

Crystal field in ErGa3 - a neutron spectroscopy study

International Nuclear Information System (INIS)

Murasik, A.; Czopnik, A.; Clementyev, E.; Schefer, J.

2000-01-01

The splitting of the J = 15/2 multiplet of Er in a cubic crystal field has been determined by inelastic scattering from a polycrystalline sample of ErGa 3 . On the base of observed intensities and their temperature variation we have been able to determine two crystal electric fields (CEF) parameters required for cubic symmetry. Least-squares fits of calculated crystal field transitions of the observed neutron inelastic scattering spectra taken at 12, 24, 32, 40, 50 and 80 K, gave the crystal field parameters: B 4 (7.15±0.05) x 10 -5 and B 6 = (1.28±0.05) x 1- -6 MeV yielding the Γ 7 doublet as a ground level with the overall splitting of 10.92 MeV. The results are used to calculate the temperature-depended zero field magnetization and the Schottky anomaly of the heat capacity of the ErGa 3 which yield reasonable agreement with experimental data obtained earlier. (author)

Self-Aligned Growth of Organic Semiconductor Single Crystals by Electric Field.

Science.gov (United States)

Kotsuki, Kenji; Obata, Seiji; Saiki, Koichiro

2016-01-19

We proposed a novel but facile method for growing organic semiconductor single-crystals via solvent vapor annealing (SVA) under electric field. In the conventional SVA growth process, nuclei of crystals appeared anywhere on the substrate and their crystallographic axes were randomly distributed. We applied electric field during the SVA growth of 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT) on the SiO2/Si substrate on which a pair of electrodes had been deposited beforehand. Real-time observation of the SVA process revealed that rodlike single crystals grew with their long axes parallel to the electric field and bridged the prepatterned electrodes. As a result, C8-BTBT crystals automatically formed a field effect transistor (FET) structure and the mobility reached 1.9 cm(2)/(V s). Electric-field-assisted SVA proved a promising method for constructing high-mobility single-crystal FETs at the desired position by a low-cost solution process.

Far-field coupling in nanobeam photonic crystal cavities

Energy Technology Data Exchange (ETDEWEB)

Rousseau, Ian, E-mail: ian.rousseau@epfl.ch; Sánchez-Arribas, Irene; Carlin, Jean-François; Butté, Raphaël; Grandjean, Nicolas [Institute of Physics, École Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland)

2016-05-16

We optimized the far-field emission pattern of one-dimensional photonic crystal nanobeams by modulating the nanobeam width, forming a sidewall Bragg cross-grating far-field coupler. By setting the period of the cross-grating to twice the photonic crystal period, we showed using three-dimensional finite-difference time-domain simulations that the intensity extracted to the far-field could be improved by more than three orders of magnitude compared to the unmodified ideal cavity geometry. We then experimentally studied the evolution of the quality factor and far-field intensity as a function of cross-grating coupler amplitude. High quality factor (>4000) blue (λ = 455 nm) nanobeam photonic crystals were fabricated out of GaN thin films on silicon incorporating a single InGaN quantum well gain medium. Micro-photoluminescence spectroscopy of sets of twelve identical nanobeams revealed a nine-fold average increase in integrated far-field emission intensity and no change in average quality factor for the optimized structure compared to the unmodulated reference. These results are useful for research environments and future nanophotonic light-emitting applications where vertical in- and out-coupling of light to nanocavities is required.

Investigation of thermoluminescent response of K2YF5:Dy3+ crystals for gamma and X radiation fields

International Nuclear Information System (INIS)

Silva, E.C.; Nogueira, M.S.; Faria, L.O.; Khaidukov, N.M.

2005-01-01

K 2 YF 5 crystals doped with rare earths have been synthesized with 0 to 100% of Dy 3+ ions optically active ions and an investigation was conducted to test its thermoluminescent (TL) response due to function of Dy 3+ concentration and their response in energy. After being irradiated with gamma and X-rays, it was observed that crystals doped with 1.0% of Dy 3+ feature the best response TL. The main dosimetric peak can be decomposed into three secondary TL peaks, centered in 96.4, 104.9 and 130.7 deg C, respectively, showing a good linearity and reproducibility of the dose measurements. The sensitization process seems to improve response TL and TL peak sensitivity increase to 130, 7 deg C at the expense of TL peak to 104, 9 deg C. The linear coefficient sign TL for K 2 Y 0.09 Dy 0.01 F5 is comparable to that of the dosemeter CaSO 4 : Mn, irradiated with gamma radiation source ( 137 Cs) under the same conditions. Energy dependence measurements show that the answer for X-rays with energy of 41.1 keV is more than 30 times the response to Cs-137, when exposed to the same dose. Due to the main peak in low temperature and the TL high reply to low energy fields, the results reported indicate that the K 2 YF 5 crystals doped with Dy 3+ present great potential for radiation dosimetry in X-rays therapy, clinical dosimetry and also for applications in digital thermoluminescent images

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

Energy Technology Data Exchange (ETDEWEB)

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

2013-12-15

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2017-02-15

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

Optical spectroscopy and crystal-field analysis of U3+: Ba2YCl7

International Nuclear Information System (INIS)

Karbowiak, M.; Mech, A.; Drozdzyndki, J.; Gajek, Z.; Edelstein, N.M.

2002-01-01

High resolution absorption spectra of a U 3+ (0.3%): Ba 2 YCl 7 single crystal were recorded in the 4000-50 000 cm -1 range at 7 K. The observed crystal-field levels were assigned and fit to the parameters of the simplified angular overlap model (AOM) as well as a semi-empirical Hamiltonian representing the combined atomic and one-electron crystal-field interactions. The starting values of the AOM parameters were obtained from ab initio calculations. The analysis of the spectra allowed the assignment of 65 crystal-field levels with a relatively small rms deviation of 25 cm -1 and has shown that the AOM approach can predict quite well the B q k crystal-field parameters. The value determined for the crystal-field strength parameter, N v , corresponds well with those determined for U 3+ in other chloride single crystals. (authors)

The influence of magnetic fields on protein crystal growth and quality; Zum Einfluss magnetischer Felder auf das Wachstum und die Qualitaet von Proteinkristallen

Energy Technology Data Exchange (ETDEWEB)

Meents, Alke

2005-08-01

Magnetic fields can affect protein crystal growth in several ways. In homogeneous magnetic fields molecules and crystallites line up themselves along the magnetic field direction due to their magnetic anisotropy. Inhomogeneous magnetic fields exert a force on diamagnetic and paramagnetic compounds towards regions of lower or higher field strength. This effect can be used to create a microgravity-like environment for diamagnetic proteins and an environment comparable to hypergravity for paramagnetic proteins. Crystallization in homogeneous magnetic fields and a microgravity-like environment are reported to have a positive effect on crystal quality. The aim of this work was to systematically investigate the effect of protein crystallization in magnetic fields on the crystal quality by comparing a large number of crystals grown under identical conditions with- and without magnetic fields. Crystal quality was determined by means of high resolution rocking-curve measurements. Furthermore in certain cases complete diffraction datasets were collected. Any possible influence of magnetic fields on the mosaicity and the quality of the diffraction data was evaluated statistically by applying Wilcoxon-Ranksum tests. To investigate the effect of protein crystallization in homogeneous magnetic fields the diamagnetic proteins Thaumatin, Trypsin, and Lysozyme and paramagnetic Myoglobin were crystallized in magnetic fields of 5 T, 8.8 T, and 15.8 T. The analysis of crystal mosaicity and quality of the diffraction data of the diamagnetic proteins did not reveal a significant influence on the crystal quality. In contrast the crystals of paramagnetic Myoglobin grew up to 14 times larger than the ones in the control experiment. In addition they had a significant lower mosaicity, and diffracted to a higher resolution than ever reported before. Special pole pieces for an existing magnet were designed and build to grow protein crystals in an inhomogeneous magnetic field The experimental

Angular and magnetic field dependences of critical current in irradiated YBaCuO single crystals

International Nuclear Information System (INIS)

Petrusenko, Yu.

2010-01-01

The investigation of mechanisms responsible for the current-carrying capability of irradiated high-temperature superconductors (HTSC) was realized. For the purpose, experiments were made to investigate the effect of point defects generated by high-energy electron irradiation on the critical temperature and the critical current in high-Tc superconducting single crystals YBa 2 Cu 3 O 7-x . The transport current density measured in HTSC single crystals YBa 2 Cu 3 O 7-x by the dc-method was found to exceed 80000 A/cm 2 . The experiments have demonstrated a more than 30-fold increase in the critical current density in single crystals irradiated with 2.5 MeV electrons to a dose of 3·10 18 el/cm 2 . Detailed studies were made into the anisotropy of critical current and the dependence of critical current on the external magnetic field strength in irradiated single crystals. A high efficiency of point defects as centers of magnetic vortex pinning in HTSC single crystals was first demonstrated.

Reliability of conventional crystal field models in f-electron systems

Energy Technology Data Exchange (ETDEWEB)

Gajek, Z. [Polska Akademia Nauk, Wroclaw (Poland). Inst. Niskich Temperatur i Badan Strukturalnych

1995-03-15

Crystal field models commonly applied to explain the electronic properties of solid f-electron compounds are discussed from the point of view of their inherent limitations and the false conclusions they may lead to. Both phenomenological and ab initio approximate models are considered. The discussion is based on generalized perturbation model calculations of the crystal field parameters for europium, uranium, plutonium and neptunium ions in various crystals. The results reveal the inadequacy of various electrostatic approaches and the correctness of models based on renormalization terms. ((orig.))

Investigation of Pockels Cells Crystal Contrast Ratio Distribution

Directory of Open Access Journals (Sweden)

Giedrius Sinkevičius

2017-07-01

Full Text Available The BBO Pockel’s cell has been investigated. The investigation results of optimal operating area on the surface of the crystal dependent of intrinsic contrast ratio (ICR and voltage contrast ratio (VCR for Pockel’s cell are presented. The block diagram of Pockel’s cells contrast measurement stand and measurement methodology are introduced and discussed. The graphs of intrinsic contrast ratio distribution on crystal surface, contrast ratio with voltage dependency and voltage contrast ratio distribution on crystal surface with half-wave voltage are presented.

Crystal-fields at rare-earth sites in R2Fe14B compounds

International Nuclear Information System (INIS)

Adam, S.; Adam, G.; Burzo, E.

1985-12-01

Crystal-field effects are expected to be important in R 2 Fe 14 B compounds. Within a model-independent approach, it is proved that four distinct rare-earth sites exist with respect to the crystalline electric fields, namely, R(4f; z=0), R(4f; z=0.5 c), R(4g; z=0), and R(4g; z=0.5 c), and relationships are established between the corresponding crystal-fields coefficients. Further, generalized Stevens parametrizations of the crystal field coefficients are derived at three levels of approximation for the interatomic forces inside the crystal. A crystal lattice dressing effect upon the radial electronic integrals is found to occur, the magnitude of which depends on the deviation of the interatomic forces from Coulombian. Finally, computation of crystal-field coefficients in Nd 2 Fe 14 B leads to results which raise questions about the validity of the simple Coulomb point-charge model. (author)

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

Science.gov (United States)

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

1996-02-01

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

Control of spontaneous emission from a microwave-field-driven four-level atom in an anisotropic photonic crystal

Energy Technology Data Exchange (ETDEWEB)

Zhang, Duo, E-mail: zhangduo10@gmail.com [Wuhan National Laboratory for Optoelectronics and School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China); School of Electrical and Electronic Engineering, Wuhan Polytechnic University, Wuhan 430023 (China); Li, Jiahua, E-mail: huajia_li@163.com [Wuhan National Laboratory for Optoelectronics and School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China); Ding, Chunling; Yang, Xiaoxue [Wuhan National Laboratory for Optoelectronics and School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China)

2012-05-21

The spontaneous emission properties of a microwave-field-driven four-level atom embedded in anisotropic double-band photonic crystals (PCs) are investigated. We discuss the influences of the band-edge positions, Rabi frequency and detuning of the microwave field on the emission spectrum. It is found that several interesting features such as spectral-line enhancement, spectral-line suppression, spectral-line overlap, and multi-peak structures can be observed in the spectra. The proposed scheme can be achieved by use of a microwave-coupled field into hyperfine levels in rubidium atom confined in a photonic crystal. These theoretical investigations may provide more degrees of freedom to manipulate the atomic spontaneous emission. -- Highlights: ► Spontaneous emission properties of an atom embedded in PCs are investigated. ► Spectral-line enhancement, suppression and overlapping are observed. ► The results provide more degrees of freedom to control atomic spontaneous emission.

Control of spontaneous emission from a microwave-field-driven four-level atom in an anisotropic photonic crystal

International Nuclear Information System (INIS)

Zhang, Duo; Li, Jiahua; Ding, Chunling; Yang, Xiaoxue

2012-01-01

The spontaneous emission properties of a microwave-field-driven four-level atom embedded in anisotropic double-band photonic crystals (PCs) are investigated. We discuss the influences of the band-edge positions, Rabi frequency and detuning of the microwave field on the emission spectrum. It is found that several interesting features such as spectral-line enhancement, spectral-line suppression, spectral-line overlap, and multi-peak structures can be observed in the spectra. The proposed scheme can be achieved by use of a microwave-coupled field into hyperfine levels in rubidium atom confined in a photonic crystal. These theoretical investigations may provide more degrees of freedom to manipulate the atomic spontaneous emission. -- Highlights: ► Spontaneous emission properties of an atom embedded in PCs are investigated. ► Spectral-line enhancement, suppression and overlapping are observed. ► The results provide more degrees of freedom to control atomic spontaneous emission.

Crystal field excitations of YbMn{sub 2}Si{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Mole, R.A. [Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW 2234 (Australia); School of Physical, Environmental and Mathematical Sciences, The University of New South Wales at the Australian Defence Force Academy, Canberra, ACT 2600 (Australia); Hofmann, M. [School of Physical, Environmental and Mathematical Sciences, The University of New South Wales at the Australian Defence Force Academy, Canberra, ACT 2600 (Australia); Forschungsneutronenquelle Heinz Maier-Leibnitz (FRM II), Technische Universität München, 85747 Garching (Germany); Adroja, D.T. [ISIS Facility, Science and Technology Facilities Council, Rutherford Appleton Laboratory, Didcot, OX11 OQX (United Kingdom); Moze, O. [Dipartimento di Fisica, Università degli Studi di Modena e Reggio Emilia, Modena (Italy); Campbell, S.J., E-mail: stewart.campbell@adfa.edu.au [School of Physical, Environmental and Mathematical Sciences, The University of New South Wales at the Australian Defence Force Academy, Canberra, ACT 2600 (Australia)

2013-12-15

The crystal field excitations of the rare earth intermetallic compound YbMn{sub 2}Si{sub 2} have been measured by inelastic neutron scattering over the temperature range 2.5–50 K. The YbMn{sub 2}Si{sub 2} spectra exhibit three low energy excitations (∼3–7 meV) in the antiferromagnetic AFil region above the magnetic phase transition at T{sub N2} = 30(5) K. The crystal field parameters have been determined for YbMn{sub 2}Si{sub 2} in the antiferromagnetic AFil region. A further two inelastic excitations (∼9 meV, 17 meV) are observed below T{sub N2}=30(5) K, the temperature at which the high temperature antiferromagnetic structure is reported to exhibit doubling of the magnetic cell. Energy level diagrams have been determined for Yb{sup 3+} ions in the different sites above (single site) and below the magnetic transition temperature (two sites). The excitation energies for both sites are shown to be temperature independent with the temperature dependences of the transition intensities for the two sites described well by a simple Boltzmann model. The spectra below T{sub N2} cannot be described fully in terms of molecular field models based on either a single Yb{sup 3+} site or two Yb{sup 3+} sites. This indicates that the magnetic behaviour of YbMn{sub 2}Si{sub 2} is more complicated than previously considered. The inability to account fully for excitations below the magnetic phase transition may be due to an, as yet, unresolved structural transition associated with the magnetic transition. - Highlights: • The inelastic neutron scattering from YbMn{sub 2}Si{sub 2} has been investigated over the temperature range 2.5–50 K. • The crystal field splitting has been monitored through the magnetic transition at 30(5) K. • We have determined the crystal field parameters for the antiferromagnetic AFil region. • The transition intensities are described well by Boltzmann occupancy models. • The spectra below the magnetic transition have been analysed by

Method to map individual electromagnetic field components inside a photonic crystal

NARCIS (Netherlands)

Denis, T.; Reijnders, B.; Lee, J.H.H.; van der Slot, Petrus J.M.; Vos, Willem L.; Boller, Klaus J.

2012-01-01

We present a method to map the absolute electromagnetic field strength inside photonic crystals. We apply the method to map the dominant electric field component Ez of a two-dimensional photonic crystal slab at microwave frequencies. The slab is placed between two mirrors to select Bloch standing

Crystal field in rare-earth metals and intermetallic compounds

International Nuclear Information System (INIS)

Ray, D.K.

1978-01-01

Reasons for the success of the crystal-field model for the rare-earth metals and intermetallic compounds are discussed. A review of some of the available experimental results is made with emphasis on cubic intermetallic compounds. Various sources of the origin of the crystal field in these metals are discussed in the background of the recent APW picture of the conduction electrons. The importance of the non-spherical part of the muffin-tin potential on the single-ion anisotropy is stressed. (author)

Drift of nonequilibrium charge carriers in GaAs-crystals with traps in ultrasonic fields

International Nuclear Information System (INIS)

Zaveryukhina, N.N.; Zaveryukhin, B.N.; Zaveryukhina, E.B.

2007-01-01

Full text: The drift of nonequilibrium charge carriers in a semiconductor is one of the basic processes determining the efficiency of semiconductor photodetectors. Gallium arsenide possesses certain advantages to other semiconductors in this respect, which allow GaAs-photodetectors to be obtained which possess the maximum efficiency in comparison with all other systems. The purpose of this study was to deepen and expand our knowledge about the acoustic-drift processes in GaAs- crystals. As is known, the drift of nonequilibrium charge carriers in a semiconductor is determined either by external electric fields and/or by internal (built-in) electrostatic fields related to an impurity concentration gradient in the semiconductor. Gallium arsenide is a piezoelectric semiconductor with a structure possessing no center of symmetry. An electric field applied to such a crystal produces deformation of the crystal, and vice versa, any deformation of the crystal leads to the appearance of an induced electric field. Therefore, investigation of the effect of deformation on the drift of nonequilibrium charge carriers is a very important task. One of the possible straining factors is ultrasonic wave. Interaction of the charge carriers with ultrasonic waves in piezo-semiconductors is mediated by piezo exertion. Straining a semiconductor by an ultrasonic wave field gives rise to a force acting upon the charge carriers, which is proportional to the wave vector and the piezoelectric constant of the crystal. The physics of interaction between an ultrasonic wave and nonequilibrium charge carriers in GaAs, as well as in non-polar semiconductors (Si, Ge), consists in the energy and momentum exchange between the wave and the carriers. Besides the ultrasonic waves interact with the traps of carriers and devastate them. These both acoustic effects lead to rise of amplitude of signal of GaAs-photodetectors. (authors)

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

Science.gov (United States)

Praetorius, Simon; Voigt, Axel

2015-04-21

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

Crystal-field analysis of U3+ ions in K2LaX5 (X=Cl, Br or I) single crystals

Science.gov (United States)

Karbowiak, M.; Edelstein, N.; Gajek, Z.; Drożdżyński, J.

1998-11-01

An analysis of low temperature absorption spectra of U3+ ions doped in K2LaX5 (X=Cl, Br or I) single crystals is reported. The energy levels of the U3+ ion in the single crystals were assigned and fitted to a semiempirical Hamiltonian representing the combined atomic and crystal-field interactions at the Cs symmetry site. An analysis of the nephelauxetic effect and crystal-field splittings in the series of compounds is also reported.

Laboratory Investigation of Contact Freezing and the Aerosol to Ice Crystal Transformation Process

Energy Technology Data Exchange (ETDEWEB)

Shaw, Raymond A. [Michigan Technological Univ., Houghton, MI (United States)

2014-10-28

This project has been focused on the following objectives: 1. Investigations of the physical processes governing immersion versus contact nucleation, specifically surface-induced crystallization; 2. Development of a quadrupole particle trap with full thermodynamic control over the temperature range 0 to –40 °C and precisely controlled water vapor saturation ratios for continuous, single-particle measurement of the aerosol to ice crystal transformation process for realistic ice nuclei; 3. Understanding the role of ice nucleation in determining the microphysical properties of mixed-phase clouds, within a framework that allows bridging between laboratory and field measurements.

Correlation theory of crystal field and anisotropic exchange effects

DEFF Research Database (Denmark)

Lindgård, Per-Anker

1985-01-01

A general theory for including correlation effects in static and dynamic properties is presented in terms of Raccah or Stevens operators. It is explicitly developed for general crystal fields and anisotropic interactions and systems with several sublattices, like the rare earth compounds....... The theory gives explicitly a temperature dependent renormalization of both the crystal field and the interactions, and a damping of the excitations and in addition a central park component. The general theory is illustrated by a discussion of the singlet-doublet system. The correlation effects...

Crystal fields at light rare-earth ions in Y and Lu

DEFF Research Database (Denmark)

Touborg, P.; Nevald, Rolf; Johansson, Torben

1978-01-01

Crystal-field parameters have been deduced for the light rare-earth solutes Ce, Pr, and Nd in Y or Lu hosts from measurements of the paramagnetic susceptibilities. In the analysis all multiplets in the lowest LS term were included. For a given host, crystal-field parameters divided by Stevens fac...

Integral parameters of crystal field for RE spectra

International Nuclear Information System (INIS)

Kustov, E.F.; Maketov, T.K.; Prgevudsky, A.K.; Steczko, G.

1980-01-01

The integral parameters of the crystal field are introduced for the interpretation of the spectra of RE ions in various crystals. The main formula of the method, the expression of the parameters for various states of Ce, Pr, Nd, Eu, Tb, Er, Tu, and Yb are determined. Integral parameters of A 2 , A 4 , A 6 and parameter of the spin-orbit interaction xi are calculated for 40 laser crystals with Nd, Er. An interpretation of the symmetry of the Eu 3+ centres of the NaBaZn silicate glass is given using integral parameters A 2 , A 4 . (author)

Modelling of thermal field and point defect dynamics during silicon single crystal growth using CZ technique

Science.gov (United States)

Sabanskis, A.; Virbulis, J.

2018-05-01

Mathematical modelling is employed to numerically analyse the dynamics of the Czochralski (CZ) silicon single crystal growth. The model is axisymmetric, its thermal part describes heat transfer by conduction and thermal radiation, and allows to predict the time-dependent shape of the crystal-melt interface. Besides the thermal field, the point defect dynamics is modelled using the finite element method. The considered process consists of cone growth and cylindrical phases, including a short period of a reduced crystal pull rate, and a power jump to avoid large diameter changes. The influence of the thermal stresses on the point defects is also investigated.

Thermal field emission observation of single-crystal LaB6

International Nuclear Information System (INIS)

Nagata, H.; Harada, K.; Shimizu, R.

1990-01-01

TFE (thermal field emission) properties of LaB 6 left-angle 100 right-angle and left-angle 310 right-angle single crystals were investigated by emission pattern observation. It was found that field evaporation with the tip temperature held at ∼1500 degree C is very useful to get a clean pattern of fourfold symmetry. Each of four bright spots in the clean pattern was presumed to correspond to left-angle 310 right-angle emission. It is proposed, as the most appropriate operating condition, to use the left-angle 310 right-angle LaB 6 tip at a temperature ∼1000 degree C in vacuum of 10 -9 Torr region, promising a new TF emitter of high brightness and stability for practical use

Crystal Fields in Dilute Rare-Earth Metals Obtained from Magnetization Measurements on Dilute Rare-Earth Alloys

DEFF Research Database (Denmark)

Touborg, P.; Høg, J.

1974-01-01

Crystal field parameters of Tb, Dy, and Er in Sc, Y, and Lu are summarized. These parameters are obtained from magnetization measurements on dilute single crystals, and successfully checked by a number of different methods. The crystal field parameters vary unpredictably with the rare-earth solute....... B40, B60, and B66 are similar in Y and Lu. Crystal field parameters for the pure metals Tb, Dy, and Er are estimated from the crystal fields in Y and Lu....

Crystal-field splittings in rare-earth-based hard magnets: An ab initio approach

Science.gov (United States)

Delange, Pascal; Biermann, Silke; Miyake, Takashi; Pourovskii, Leonid

2017-10-01

We apply the first-principles density functional theory + dynamical mean-field theory framework to evaluate the crystal-field splitting on rare-earth sites in hard magnetic intermetallics. An atomic (Hubbard-I) approximation is employed for local correlations on the rare-earth 4 f shell and self-consistency in the charge density is implemented. We reduce the density functional theory self-interaction contribution to the crystal-field splitting by properly averaging the 4 f charge density before recalculating the one-electron Kohn-Sham potential. Our approach is shown to reproduce the experimental crystal-field splitting in the prototypical rare-earth hard magnet SmCo5. Applying it to R Fe12 and R Fe12X hard magnets (R =Nd , Sm and X =N , Li), we obtain in particular a large positive value of the crystal-field parameter A20〈r2〉 in NdFe12N resulting in a strong out-of-plane anisotropy observed experimentally. The sign of A20〈r2〉 is predicted to be reversed by substituting N with Li, leading to a strong out-of-plane anisotropy in SmFe12Li . We discuss the origin of this strong impact of N and Li interstitials on the crystal-field splitting on rare-earth sites.

Effect of magnetic field on the wave dispersion relation in three-dimensional dusty plasma crystals

International Nuclear Information System (INIS)

Yang Xuefeng; Wang Zhengxiong

2012-01-01

Three-dimensional plasma crystals under microgravity condition are investigated by taking into account an external magnetic field. The wave dispersion relations of dust lattice modes in the body centered cubic (bcc) and the face centered cubic (fcc) plasma crystals are obtained explicitly when the magnetic field is perpendicular to the wave motion. The wave dispersion relations of dust lattice modes in the bcc and fcc plasma crystals are calculated numerically when the magnetic field is in an arbitrary direction. The numerical results show that one longitudinal mode and two transverse modes are coupled due to the Lorentz force in the magnetic field. Moreover, three wave modes, i.e., the high frequency phonon mode, the low frequency phonon mode, and the optical mode, are obtained. The optical mode and at least one phonon mode are hybrid modes. When the magnetic field is neither parallel nor perpendicular to the primitive wave motion, all the three wave modes are hybrid modes and do not have any intersection points. It is also found that with increasing the magnetic field strength, the frequency of the optical mode increases and has a cutoff at the cyclotron frequency of the dust particles in the limit of long wavelength, and the mode mixings for both the optical mode and the high frequency phonon mode increase. The acoustic velocity of the low frequency phonon mode is zero. In addition, the acoustic velocity of the high frequency phonon mode depends on the angle of the magnetic field and the wave motion but does not depend on the magnetic field strength.

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

Directory of Open Access Journals (Sweden)

E. I. Dobriyan

2016-01-01

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

Crystal orientation effects on wurtzite quantum well electromechanical fields

DEFF Research Database (Denmark)

Duggen, Lars; Willatzen, Morten

2010-01-01

in the literature for semiconductors, is inaccurate for ZnO/MgZnO heterostructures where shear-strain components play an important role. An interesting observation is that a growth direction apart from [1̅ 21̅ 0] exists for which the electric field in the quantum well region becomes zero. This is important for, e......A one-dimensional continuum model for calculating strain and electric field in wurtzite semiconductor heterostructures with arbitrary crystal orientation is presented and applied to GaN/AlGaN and ZnO/MgZnO heterostructure combinations. The model is self-consistent involving feedback couplings...... of spontaneous polarization, strain, and electric field. Significant differences between fully coupled and semicoupled models are found for the longitudinal and shear-strain components as a function of the crystal-growth direction. In particular, we find that the semicoupled model, typically used...

Elimination of image flicker in a fringe-field switching liquid crystal display by applying a bipolar voltage wave.

Science.gov (United States)

Oh, Seung-Won; Park, Jun-Hee; Lee, Ji-Hoon; Yoon, Tae-Hoon

2015-09-07

Recently, low-frequency driving of liquid crystal display (LCD) panels to minimize power consumption has drawn much attention. In the case in which an LCD panel is driven by a fringe-field at a low frequency, the image flickering phenomenon occurs when the sign of the applied electric field is reversed. We investigated image flickering induced by the flexoelectric effect in a fringe-field switching (FFS) liquid crystal cell in terms of the transmittance difference between frames and the ripple phenomenon. Experimental results show that image flicker due to transmittance difference can be eliminated completely and that the ripple phenomena can be reduced significantly by applying a bipolar voltage wave to the FFS cell.

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

Science.gov (United States)

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

2012-03-01

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

Optical spectroscopy and crystal-field analysis of U{sup 3+}: Ba{sub 2}YCl{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Karbowiak, M.; Mech, A.; Drozdzyndki, J. [Wroclaw Univ., Faculty of Chemistry (Poland); Gajek, Z. [Polish Academy of Sciences, W. Trzebiatowski Institute of Low Temperature and Structure Research, Wroclaw (Poland); Edelstein, N.M. [Lawrence Berkeley National Lab., Chemical Sciences Div., CA (United States)

2002-11-01

High resolution absorption spectra of a U{sup 3+}(0.3%): Ba{sub 2}YCl{sub 7} single crystal were recorded in the 4000-50 000 cm{sup -1} range at 7 K. The observed crystal-field levels were assigned and fit to the parameters of the simplified angular overlap model (AOM) as well as a semi-empirical Hamiltonian representing the combined atomic and one-electron crystal-field interactions. The starting values of the AOM parameters were obtained from ab initio calculations. The analysis of the spectra allowed the assignment of 65 crystal-field levels with a relatively small rms deviation of 25 cm{sup -1} and has shown that the AOM approach can predict quite well the B{sub q}{sup k} crystal-field parameters. The value determined for the crystal-field strength parameter, N{sub v}, corresponds well with those determined for U{sup 3+} in other chloride single crystals. (authors)

Sub-threshold investigation of two coupled photonic crystal cavities

DEFF Research Database (Denmark)

Schubert, Martin; Frandsen, Lars Hagedorn; Skovgård, Troels Suhr

2009-01-01

The behavior of two coupled photonic crystal membrane cavities with quantum dots separated by different number of holes is investigated. The measured spectral splitting with increased coupling is verified by 3D calculations and discussed.......The behavior of two coupled photonic crystal membrane cavities with quantum dots separated by different number of holes is investigated. The measured spectral splitting with increased coupling is verified by 3D calculations and discussed....

Orientation selection process during the early stage of cubic dendrite growth: A phase-field crystal study

International Nuclear Information System (INIS)

Tang Sai; Wang Zhijun; Guo Yaolin; Wang Jincheng; Yu Yanmei; Zhou Yaohe

2012-01-01

Using the phase-field crystal model, we investigate the orientation selection of the cubic dendrite growth at the atomic scale. Our simulation results reproduce how a face-centered cubic (fcc) octahedral nucleus and a body-centered cubic (bcc) truncated-rhombic dodecahedral nucleus choose the preferred growth direction and then evolve into the dendrite pattern. The interface energy anisotropy inherent in the fcc crystal structure leads to the fastest growth velocity in the 〈1 0 0〉 directions. New { 1 1 1} atomic layers prefer to nucleate at positions near the tips of the fcc octahedron, which leads to the directed growth of the fcc dendrite tips in the 〈1 0 0〉 directions. A similar orientation selection process is also found during the early stage of bcc dendrite growth. The orientation selection regime obtained by phase-field crystal simulation is helpful for understanding the orientation selection processes of real dendrite growth.

Investigation of crystallization in glasses containing fission products

International Nuclear Information System (INIS)

Malow, G.

1979-01-01

Five potential solidification products for high-level waste (four borosilicate glasses and one celsian glass ceramic) have been investigated in terms of crystallization. In all glasses and in the glass ceramic, crystallization, and recrystallization, respectively, were observed by heating above 773 0 K, however, at very different periods of time (0.1d greater than or equal to 100d). The noble metals precipitated into various phases. Crystal growth proceeded at the phase boundary glass-noble metal. In all products rare earth phases crystallized. Silicate phases rarely formed. The leach resistance (by the grain titration and Soxhlet tests) decreased after heat treatment in all cases. The changes were found to be within one order of magnitude for all products. 2 figures, 4 tables

Magnetic field effect on microplastic strain rate in C690 single crystals

International Nuclear Information System (INIS)

Smirnov, B.I.; Shpejzman, V.V.; Peschanskaya, N.N.; Nikolaev, R.K.

2002-01-01

Microplastic strain in magnetic field and beyond it, as well as, subsequent to preliminary exposure of C 60 crystals to magnetic field was investigated by means of laser interferometer enabling to measure rate of strain on the basis of 0.15 μm linear shifting. It is shown that introduction and removal of specimen from 0.2 T induction field immediately during deformation of specimen result in variation of its rate, and at reduction of rate one observes discontinuous interruption of deformation. Sign of effect depends on temperature: at room temperature magnetic field promotes deformation, at 100 K - shows it down. Effect of preliminary exposure within 0.2 and 2T induction field turned to be analogous one. One analyzed possible reasons of the observed manifestation of magnetoplastic effect in C 60 and relation of its sign with phase transition under 260 K temperature [ru

A simple model for localized-itinerant magnetic systems: crystal field effects

International Nuclear Information System (INIS)

Iannarella, L.; Silva, X.A. da; Guimarares, A.P.

1989-01-01

The magnetic behavior of a system consisting of localized electrons coupled to conduction electrons and submitted to an axial crystral field at T=0 K is ivestigated within the framework of the molecular field approximation. An analytical ionic magnetic state equation is deduced; it shows how the magnetization depends on the model parameters (exchange, crystal field, band occupation) and external magnetic field. A condition for the onset of spontaneous magnetic order is obtained and the ferro - and paramagnetic phases are studied. This study displays several features of real magnetic systems, including quenching or total suppression of the magnetic moments (depending on the relative value of the crystal field parameter) and exchange enhacement. The relevance of such model for the description of rare-earth intermetallic compounds is discussed. (author) [pt

Moessbauer radiation dynamical diffraction in crystals being subjected to the action of external variable fields

International Nuclear Information System (INIS)

Baryshevskii, V.G.; Skadorov, V.V.

1986-01-01

A dynamical theory is developed of the Moessbauer radiation diffraction by crystals being subjected to an variable external field action. Equations describing the dynamical diffraction by nonstationary crystals are obtained. It is shown that the resonant interaction between Moessbauer radiation and shift field induced in the crystal by a variable external field giving rise to an effective conversion of the incident wave into a wave with changed frequency. (author)

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

Science.gov (United States)

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

2010-07-14

The experimental temperature dependence (T = 2-300 K) of single crystal bulk and site susceptibilities of rare earth titanate pyrochlores R(2)Ti(2)O(7) (R = Sm, Eu, Gd, Tb, Dy, Ho, Er, Yb) is analyzed in the framework of crystal field theory and a mean field approximation. Analytical expressions for the site and bulk susceptibilities of the pyrochlore lattice are derived taking into account long range dipole-dipole interactions and anisotropic exchange interactions between the nearest neighbor rare earth ions. The sets of crystal field parameters and anisotropic exchange coupling constants have been determined and their variations along the lanthanide series are discussed.

On standardization of low symmetry crystal fields

Science.gov (United States)

Gajek, Zbigniew

2015-07-01

Standardization methods of low symmetry - orthorhombic, monoclinic and triclinic - crystal fields are formulated and discussed. Two alternative approaches are presented, the conventional one, based on the second-rank parameters and the standardization based on the fourth-rank parameters. Mainly f-electron systems are considered but some guidelines for d-electron systems and the spin Hamiltonian describing the zero-field splitting are given. The discussion focuses on premises for choosing the most suitable method, in particular on inadequacy of the conventional one. Few examples from the literature illustrate this situation.

Electromagnetic-field amplification in finite one-dimensional photonic crystals

International Nuclear Information System (INIS)

Gorelik, V. S.; Kapaev, V. V.

2016-01-01

The electromagnetic-field distribution in a finite one-dimensional photonic crystal is studied using the numerical solution of Maxwell’s equations by the transfer-matrix method. The dependence of the transmission coefficient T on the period d (or the wavelength λ) has the characteristic form with M–1 (M is the number of periods in the structure) maxima with T = 1 in the allowed band of an infinite crystal and zero values in the forbidden band. The field-modulus distribution E(x) in the structure for parameters that correspond to the transmission maxima closest to the boundaries of forbidden bands has maxima at the center of the structure; the value at the maximum considerably exceeds the incident-field strength. For the number of periods M ~ 50, more than an order of magnitude increase in the field amplification is observed. The numerical results are interpreted with an analytic theory constructed by representing the solution in the form of a linear combination of counterpropagating Floquet modes in a periodic structure.

Near-field probing of photonic crystal directional couplers

DEFF Research Database (Denmark)

Volkov, V. S.; Bozhevolnyi, S. I.; Borel, Peter Ingo

2006-01-01

We report the design, fabrication and characterization of a photonic crystal directional with a size of ~20 x 20 mm2 fabricated in silicon-on-insulator material. Using a scanning near-field optical microscope we demonstrate a high coupling efficiency for TM polarized light at telecom wavelengths....... By comparing the near-field optical images recorded in and after the directional coupler area, the features of light distribution are analyzed. Finally, the scanning near-field optical microscope observations are found to be in agreement with the transmission measurements conducted with the same sample....

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

NARCIS (Netherlands)

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

2010-01-01

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

Experimental and numerical investigations of Si-based photonic crystals with ordered Ge quantum dots emitters

International Nuclear Information System (INIS)

Jannesari, R.

2014-01-01

In recent years quasi-two-dimensional (2D) photonic crystals, also known as photonic crystal slabs, have been the subject of extensive research. The present work is based on photonic crystals where a hexagonal 2D lattice of air holes is etched through a silicon-on-insulator (SOI) slab. Light is guided in the horizontal plane using photonic band-gap properties, and index guiding provides the optical confinement in the third dimension. This work discusses photonic crystal slabs with Ge quantum dots (QDs) as internal sources. Ge quantum dots have luminescence around 1500nm, which is well suited for optical fiber communication in a way that is fully compatible with standard silicon technology. QD emission can be controlled by epitaxial growth on a pre-patterned SOI substrate. In this way the position of the QDs is controlled, as well as their homogeneity and spectral emission range. During this thesis, photonic crystal fabrication techniques together with techniques for the alignment of the photonic crystal holes with the QDs positions were developed. The employed techniques involve electron beam lithography (EBL) and inductively-coupled-plasma reactive ion etching (ICP-RIE). Perfect ordering of the QDs position was achieved by employing these techniques for pit patterning and the subsequent growth of Ge dots using molecular beam epitaxy (MBE). A second EBL step was then used for photonic crystal writing, which needed to be aligned with respect to the pit pattern with a precision of about ± 30nm. Micro-photoluminescence spectroscopy was used for the optical characterization of the photonic crystal. The emission from ordered quantum dots in different symmetry positions within a unit cell of photonic crystal was theoretically and experimentally investigated and compared with randomly distributed ones. Besides, different geometrical parameters of photonic crystals were studied. The theoretical investigations were mainly based on the rigorous coupled wave analysis (RCWA

Current status of investigations in the field of solid state science in central Kazakstan region

International Nuclear Information System (INIS)

Kuketaev, T.A.

1999-01-01

Investigations in the field of solid state science were initiated together with foundation of University in Karaganda. Historically general investigations in this field were conducted for scientific directions related to optical, luminescent and radiation properties of wide gap insulator. This activity was carried out according to appropriate plans of coordination counsels en-gaged in the physics of insulators, luminescent and radiation physics at the Academy of Science USSR and in the Committee on sciences and engineering of the Counsel of Ministers of the USSR. A number of works were coordinated by the Academy of Sciences of Kazakhstan Republic. Investigations in the field of solid state science, con-ducted in the Central Kazakstan and coordinated by the Institute of Physics and Engineering of Kazakhstan National Academy of Sciences, can be currently distinguished according to scientific directions. Currently, the following scientific directions in the field of solid state science exist in the Central Kazakstan: influence of polymorph phase transitions on electron excitation in wide-gap crystals, radiation malformation and recombination, dielectric spectroscopy of crystals with hydrogen link, spectral and luminescent properties and energy migration processes in disordered and partly ordered systems of organic molecules. It is necessary to note that all investigated objects, described in this report, were recovered by investigators. That is, the relevant hardware is available

Magnetic Field Applications in Semiconductor Crystal Growth and Metallurgy

Science.gov (United States)

Mazuruk, Konstantin; Ramachandran, Narayanan; Grugel, Richard; Curreri, Peter A. (Technical Monitor)

2002-01-01

The Traveling Magnetic Field (TMF) technique, recently proposed to control meridional flow in electrically conducting melts, is reviewed. In particular, the natural convection damping capability of this technique has been numerically demonstrated with the implication of significantly improving crystal quality. Advantages of the traveling magnetic field, in comparison to the more mature rotating magnetic field method, are discussed. Finally, results of experiments with mixing metallic alloys in long ampoules using TMF is presented

Investigations and Simulations of All optical Switches in linear state Based on Photonic Crystal Directional Coupler

Directory of Open Access Journals (Sweden)

S. Maktoobi

2014-10-01

Full Text Available Switching is a principle process in digital computers and signal processing systems. The growth of optical signal processing systems, draws particular attention to design of ultra-fast optical switches. In this paper, All Optical Switches in linear state Based On photonic crystal Directional coupler is analyzed and simulated. Among different methods, the finite difference time domain method (FDTD is a preferable method and is used. We have studied the application of photonic crystal lattices, the physics of optical switching and photonic crystal Directional coupler. In this paper, Electric field intensity and the power output that are two factors to improve the switching performance and the device efficiency are investigated and simulated. All simulations are performed by COMSOL software.

The diluted tri-dimensional spin-one Ising model with crystal field interactions

International Nuclear Information System (INIS)

Saber, M.

1988-09-01

3D spin-one Ising models with nearest-neighbour ferromagnetic interactions with crystal-field exhibit tricritical behaviour. A new method that applies to a wide class of random systems is used to study the influence of site and bond dilution on this behaviour. We have calculated temperature-crystal-field-concentration phase diagrams and determined, in particular, the influence of dilution on the zero temperature tricritical temperature. (author). 10 refs, 8 figs

Redshift of A 1(longitudinal optical) mode for GaN crystals under strong electric field

Science.gov (United States)

Gu, Hong; Wu, Kaijie; Zheng, Shunan; Shi, Lin; Zhang, Min; Liu, Zhenghui; Liu, Xinke; Wang, Jianfeng; Zhou, Taofei; Xu, Ke

2018-01-01

We investigated the property of GaN crystals under a strong electric field. The Raman spectra of GaN were measured using an ultraviolet laser, and a remarkable redshift of the A 1(LO) mode was observed. The role of the surface depletion layer was discussed, and the interrelation between the electric field and phonons was revealed. First-principles calculations indicated that, in particular, the phonons that vibrate along the [0001] direction are strongly influenced by the electric field. This effect was confirmed by a surface photovoltage experiment. The results revealed the origin of the redshift and presented the phonon property of GaN under a strong electric field.

A thermal model for czochralski silicon crystal growth with an axial magnetic field

Science.gov (United States)

Hjellming, L. N.

1990-07-01

This paper presents a thermal model for molten silicon in a Czochralski crystal puller system with an applied uniform axial magnetic field. The melt depth is treated as continually decreasing, which affects the thermal environment of the melt and crystal. The radiative heat loss and the input heat flux are treated as functions of time, with a constraint placed on the heat lost to the crystal from the melt. As the melt motion reaches a steady state rapidly, the temperature and flow fields are treated as instantaneously steady at each melt depth. The heat transport is a mixture of conduction and convection, and by considering the crystal and crucible to be rotating with the same angular velocity, the flows driven by buoyancy and thermocapillarity are isolated and provide the convective heat transport in the melt for the range of magnetic field strengths 0.2 ≤ B ≤ 1.0T.

MO-A-BRD-01: An Investigation of the Dynamic Response of a Novel Acousto-Optic Liquid Crystal Detector for Full-Field Transmission Ultrasound Breast Imaging

International Nuclear Information System (INIS)

Rosenfield, J.R.; La Riviere, P.J.; Sandhu, J.S.

2014-01-01

Purpose: To characterize the dynamic response of a novel acousto-optic (AO) liquid crystal detector for high-resolution transmission ultrasound breast imaging. Transient and steady-state lesion contrast were investigated to identify optimal transducer settings for our prototype imaging system consistent with the FDA limits of 1 W/cm 2 and 50 J/cm 2 on the incident acoustic intensity and the transmitted acoustic energy flux density. Methods: We have developed a full-field transmission ultrasound breast imaging system that uses monochromatic plane-wave illumination to acquire projection images of the compressed breast. The acoustic intensity transmitted through the breast is converted into a visual image by a proprietary liquid crystal detector operating on the basis of the AO effect. The dynamic response of the AO detector in the absence of an imaged breast was recorded by a CCD camera as a function of the acoustic field intensity and the detector exposure time. Additionally, a stereotactic needle biopsy breast phantom was used to investigate the change in opaque lesion contrast with increasing exposure time for a range of incident acoustic field intensities. Results: Using transducer voltages between 0.3 V and 0.8 V and exposure times of 3 minutes, a unique one-to-one mapping of incident acoustic intensity to steady-state optical brightness in the AO detector was observed. A transfer curve mapping acoustic intensity to steady-state optical brightness shows a high-contrast region analogous to the linear portion of the Hurter-Driffield curves of radiography. Using transducer voltages between 1 V and 1.75 V and exposure times of 90 s, the lesion contrast study demonstrated increasing lesion contrast with increasing breast exposure time and acoustic field intensity. Lesion-to-background contrast on the order of 0.80 was observed. Conclusion: Maximal lesion contrast in our prototype system can be obtained using the highest acoustic field intensity and the longest breast

Investigation of the neutron diffraction anomaly and electrical behaviour of α-LiIO3 single crystal under AC field

International Nuclear Information System (INIS)

Wang Guang; Yang Zhen

1990-01-01

A systematic study of the unique neutron diffraction and electric behaviour of α-LiIO 3 single crystal under AC field is reported. A frequency dependent rectification effect was observed and can be explained as the relaxation process in the ionic conduction. Theoretical treatment using Boltzmann equation gives satisfactory agreement with experimental results. The neutron diffraction anomaly can be attributed to the effect of the rectified DC current in the sample

An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostatics

International Nuclear Information System (INIS)

Pyzer-Knapp, Edward O.; Thompson, Hugh P. G.; Day, Graeme M.

2016-01-01

An empirically parameterized intermolecular force field is developed for crystal structure modelling and prediction. The model is optimized for use with an atomic multipole description of electrostatic interactions. We present a re-parameterization of a popular intermolecular force field for describing intermolecular interactions in the organic solid state. Specifically we optimize the performance of the exp-6 force field when used in conjunction with atomic multipole electrostatics. We also parameterize force fields that are optimized for use with multipoles derived from polarized molecular electron densities, to account for induction effects in molecular crystals. Parameterization is performed against a set of 186 experimentally determined, low-temperature crystal structures and 53 measured sublimation enthalpies of hydrogen-bonding organic molecules. The resulting force fields are tested on a validation set of 129 crystal structures and show improved reproduction of the structures and lattice energies of a range of organic molecular crystals compared with the original force field with atomic partial charge electrostatics. Unit-cell dimensions of the validation set are typically reproduced to within 3% with the re-parameterized force fields. Lattice energies, which were all included during parameterization, are systematically underestimated when compared with measured sublimation enthalpies, with mean absolute errors of between 7.4 and 9.0%

Near-field characterization of photonic crystal Y-splitters

DEFF Research Database (Denmark)

Volkov, V. S.; Bozhevolnyi, S. I.; Borel, Peter Ingo

2005-01-01

A scanning near-field optical microscope (SNOM) is used to directly map the propagation of light in a specially designed 50/50 photonic crystal (PC) Y-splitter fabricated on silicon-on-insulator (SOI) wafers. SNOM images are obtained for TE- and TM-polarized light in the wavelength range 1425...

Crystal-field-modulated magnon squeezing states in a ferromagnet

International Nuclear Information System (INIS)

Peng Feng

2003-01-01

The magnon squeezing states in some magnetic crystals allow a reduction in the quantum fluctuations of the spin component to below the zero-point quantum noise level of the coherent magnon states. It is known that there are the magnon squeezing states in an antiferromagnet. However, their generating mechanism is not suitable for the ferromagnet. In this paper, we discuss the possibility of generating the magnon squeezing states in a ferromagnet, and discuss the effect of the crystal field on the magnon squeezing states

Investigations of morphological changes during annealing of polyethylene single crystals

NARCIS (Netherlands)

Tian, M.; Loos, J.

2001-01-01

The morphological evolution of isolated individual single crystals deposited on solid substrates was investigated during annealing experiments using in situ and ex situ atomic force microscopy techniques. The crystal morphology changed during annealing at temperatures slightly above the original

muSR-Investigation of a Liquid Crystal Containing Iron Atoms

CERN Document Server

Mamedov, T N; Galyametdinov, Yu G; Gritsaj, K I; Herlach, D; Kormann, O; Major, J V; Rochev, V Ya; Stoikov, A V; Zimmermann, U

2000-01-01

The work is devoted to the investigation of properties of a liquid crystal whose molecule contains iron atom. The compounds of this type are of interest from the point of view of obtaining liquid crystals with magnetic properties. The temperature dependence of the polarization and relaxation rate of positive muon spin in the liquid crystal was measured in the temperature range 4-300 K. The results obtained do not contradict the suggestion that the iron ions from an antiferromagnetically-ordered structure in this liquid crystal at the temperatures below 80 K.

Liquid crystal parameter analysis for tunable photonic bandgap fiber devices

DEFF Research Database (Denmark)

Weirich, Johannes; Lægsgaard, Jesper; Wei, Lei

2010-01-01

We investigate the tunability of splay-aligned liquid crystals for the use in solid core photonic crystal fibers. Finite element simulations are used to obtain the alignment of the liquid crystals subject to an external electric field. By means of the liquid crystal director field the optical...

Low field anisotropic properties of a single crystals of superconducting YBa2Cu3O7-δ

International Nuclear Information System (INIS)

Hammann, J.; Ocio, M.; Vincent, E.; Bertinotti, A.; Luzet, D.

1987-09-01

Low field (0.4G≤H≤3G) magnetization measurements have been performed on small single crystals of superconducting YBa 2 Cu 3 O 7.δ using a SQUID magnetometer. They revealed anisotropic properties in the temperature dependences of the shielding and the Meissner effects. A sharp unique transition at 95 K is observed with the field parallel to c. In the perpendicular direction a second transition line seems to be crossed at T* = 84 K. This temperature T* remains constant in the range of fields investigated

Crystal-field magnetic anisotropy of dilute dysprosium or erbium in yttrium single crystals

DEFF Research Database (Denmark)

Høg, J.; Touborg, P.

1974-01-01

Magnetization measurements have been performed between 1.3 and 300 K in fields up to 50 × 105 A/m in the a, b, and c directions of hcp crystals of pure Y and Y doped with 0.14-at.% Dy or 0.14-at.% Er, using the Faraday method and a vibrating-sample method. The characteristic behavior of both...

An arc detector for neutron crystal structure investigations

Energy Technology Data Exchange (ETDEWEB)

Habib, N [Reactor and Neutron Physics Dept., Nuclear Research Center. AEA, Cairo (Egypt)

1997-12-31

An arc detector for neutron structure investigations of powder crystals using time-of-flight technique is described. In order to enable the measurement of integral intensity from about 1/4 of the Debye-Scherrer ring and for simplicity reasons, the scattering angle 20-90 degree was chosen and a special arc collimator was built. The arc collimator-detector had a divergency of about 20 minutes of arc, and the distance between detector-sample was 64 cm. Four {sup 3} He detectors were fixed on the arc of the collimator. Both efficiency and space sensitivity of the detector were determined using a point neutron source. Results of measurements show that parameters of the arc detector are acceptable for high resolution crystal structure investigations. 6 figs.

Using Quartz Crystal Microbalance for Field Measurement of Liquid Viscosities

Directory of Open Access Journals (Sweden)

Qingsong Bai

2016-01-01

Full Text Available The field measurement of liquid viscosities, especially the high viscous liquids, is challenging and often requires expensive equipment, long processing time, and lots of reagent. We use quartz crystal microbalances (QCMs operating in solution which are also sensitive to the viscosity and density of the contacting solution. QCMs are typically investigated for sensor applications in which one surface of QCM completely immersed in Newtonian liquid, but the viscous damping in liquids would cause not only large frequency shifts but also large losses in the quality factor Q leading to instability and even cessation of oscillation. A novel mass-sensitivity-based method for field measurement of liquid viscosities using a QCM is demonstrated in this paper and a model describing the influence of the liquid properties on the oscillation frequency is established as well. Two groups of verified experiments were performed and the experimental results show that the presented method is effective and possesses potential applications.

Variable valence ion spectra in a crystal field

International Nuclear Information System (INIS)

Ghiordanescu, V.

1979-01-01

Using the Cadmium chloride as a host lattice, the optical spectra and RES of Mnsup(2+) were studied and the following results were obtained: a) By controlled dopings, the absorbtion and excitation spectra of ion Mnsup(2+) in CdCl 2 within the concentration range between 0.01 M and 25 M were plotted. Thus, the band structure for small concentrations was pointed out to differ from the structure observed for high concentrations. In the literature, this effect has not been observed on similar compounds, due to the small intensity values of the absorbtion spectra. b) Considering that for CdCl 2 :Mnsup(2+) 0.1 M, the optical spectra correspond to the isolated ion in the lattice, the energy levels were evaluated using electrostatic and spin-orbit terms in a perturbation calculation of the crystal field approximation. c) The calculation of parameter a which represents the effect of the cubic field in the spjn Hamiltonian of Mnsup(2+), is closer to the experjmental value -0.5.10 -4 cm -1 of the crystal field Dq and zeta parameters are used, respectively, parameters of the spin-orbit interaction obtained under b). d) The coupling effects of spins into more concentrated crystals with Mn 2+ are a function of temperature. The emjssion yield was given a quasi-cantitative evaluation in thjs paper as a function of temperature and concentratjon on the basis of which the isolated centers of Mn 2+ were found to display ectra whose intensity vary with temperature according to the Laporte forbidden transitions and spin rule theory, and the clusters including Mn 2+ - Mn 2+ pairs provide spectra whose intensity vary with the strength of the spin-spin coupling. (author)

Spin-Orbit Qubits of Rare-Earth-Metal Ions in Axially Symmetric Crystal Fields

Science.gov (United States)

Bertaina, S.; Shim, J. H.; Gambarelli, S.; Malkin, B. Z.; Barbara, B.

2009-11-01

Contrary to the well-known spin qubits, rare-earth-metal qubits are characterized by a strong influence of crystal field due to large spin-orbit coupling. At low temperature and in the presence of resonance microwaves, it is the magnetic moment of the crystal-field ground state which nutates (for several μs) and the Rabi frequency ΩR is anisotropic. Here, we present a study of the variations of ΩR(H→0) with the magnitude and direction of the static magnetic field H→0 for the odd Er167 isotope in a single crystal CaWO4:Er3+. The hyperfine interactions split the ΩR(H→0) curve into eight different curves which are fitted numerically and described analytically. These “spin-orbit qubits” should allow detailed studies of decoherence mechanisms which become relevant at high temperature and open new ways for qubit addressing using properly oriented magnetic fields.

Dielectric properties of layered FeGaInS{sub 4} single crystals in an alternating electric field

Energy Technology Data Exchange (ETDEWEB)

Mammadov, F. M. [Azerbaijan National Academy of Sciences, Nagiyev Institute of Catalysis and Inorganic Chemistry (Azerbaijan); Niftiyev, N. N., E-mail: namiq7@bk.ru [Azerbaijan State Pedagogical University (Azerbaijan)

2016-09-15

The results of investigations of the frequency and temperature dependences of dielectric losses and the imaginary part of the dielectric permittivity in FeGaInS{sub 4} single crystals are presented. Their experimental values are determined. It is established that the loss tangent and the imaginary part of the permittivity of FeGaInS{sub 4} single crystals in a field with frequencies of 10{sup 4}–10{sup 6} Hz decrease inversely proportional to the frequency (tanδ ~ 1/ω), and the conductivity is characterized by the band–hopping mechanism. For FeGaInS{sub 4}, the relaxation time is calculated, and it is established that there is a mechanism of electron polarization caused by thermal motion in this crystal.

Electric-field-induced internal deformation in piezoelectric BiB{sub 3}O{sub 6} crystals

Energy Technology Data Exchange (ETDEWEB)

Schmidt, O.; Gorfman, S.; Pietsch, U. [Solid State Physics Department, University of Siegen (Germany)

2008-11-15

For the first time electric-field-induced atomic displacements (internal strains) in non-ferroelectric polar BiB{sub 3}O{sub 6} single crystal plates (point symmetry 2) were investigated using X-ray diffraction technique. The intensity variations of selected Bragg reflections were collected for three different orientations of the applied external electric field vector with respect to the crystal lattice and used for calculating the microscopic structural response of BiB{sub 3}O{sub 6}. Due to the limited number of the reflections providing measurable changes in Bragg intensities we restricted ourselves in analyzing the shift of the B{sub 3}O{sub 6} sublattice relative to the Bi one. In addition, we considered the deformation of the Bi-O, B(1)-O and B(2)-O bond lengths and identified the [B(2)O{sub 3}] group as the most sensitive structural unit to an external electric perturbation. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Crystal structure prediction of flexible molecules using parallel genetic algorithms with a standard force field.

Science.gov (United States)

Kim, Seonah; Orendt, Anita M; Ferraro, Marta B; Facelli, Julio C

2009-10-01

This article describes the application of our distributed computing framework for crystal structure prediction (CSP) the modified genetic algorithms for crystal and cluster prediction (MGAC), to predict the crystal structure of flexible molecules using the general Amber force field (GAFF) and the CHARMM program. The MGAC distributed computing framework includes a series of tightly integrated computer programs for generating the molecule's force field, sampling crystal structures using a distributed parallel genetic algorithm and local energy minimization of the structures followed by the classifying, sorting, and archiving of the most relevant structures. Our results indicate that the method can consistently find the experimentally known crystal structures of flexible molecules, but the number of missing structures and poor ranking observed in some crystals show the need for further improvement of the potential. Copyright 2009 Wiley Periodicals, Inc.

Dual gauge field theory of quantum liquid crystals in three dimensions

International Nuclear Information System (INIS)

Beekman, Aron J.; Nissinen, Jaakko; Wu, Kai; Zaanen, Jan

2017-01-01

The dislocation-mediated quantum melting of solids into quantum liquid crystals is extended from two to three spatial dimensions, using a generalization of boson-vortex or Abelian-Higgs duality. Dislocations are now Burgers-vector-valued strings that trace out worldsheets in space-time while the phonons of the solid dualize into two-form (Kalb-Ramond) gauge fields. We propose an effective dual Higgs potential that allows for restoring translational symmetry in either one, two, or three directions, leading to the quantum analogues of columnar, smectic, or nematic liquid crystals. In these phases, transverse phonons turn into gapped, propagating modes, while compressional stress remains massless. Rotational Goldstone modes emerge whenever translational symmetry is restored. Lastly, we also consider the effective electromagnetic response of electrically charged quantum liquid crystals, and find among other things that as a hard principle only two out of the possible three rotational Goldstone modes are observable using propagating electromagnetic fields.

Dual gauge field theory of quantum liquid crystals in three dimensions

Science.gov (United States)

Beekman, Aron J.; Nissinen, Jaakko; Wu, Kai; Zaanen, Jan

2017-10-01

The dislocation-mediated quantum melting of solids into quantum liquid crystals is extended from two to three spatial dimensions, using a generalization of boson-vortex or Abelian-Higgs duality. Dislocations are now Burgers-vector-valued strings that trace out worldsheets in space-time while the phonons of the solid dualize into two-form (Kalb-Ramond) gauge fields. We propose an effective dual Higgs potential that allows for restoring translational symmetry in either one, two, or three directions, leading to the quantum analogues of columnar, smectic, or nematic liquid crystals. In these phases, transverse phonons turn into gapped, propagating modes, while compressional stress remains massless. Rotational Goldstone modes emerge whenever translational symmetry is restored. We also consider the effective electromagnetic response of electrically charged quantum liquid crystals, and find among other things that as a hard principle only two out of the possible three rotational Goldstone modes are observable using propagating electromagnetic fields.

Magnetic response of localized spins coupled to itinerant electrons in an inhomogeneous crystal field

International Nuclear Information System (INIS)

Iannarella, L.; Guimaraes, A.P.; Silva, X.A. da.

1990-01-01

The magnetic behavior at T = O K of a system consisting of conduction electrons coupled to localized electrons, the latter submitted to an inhomogeneous crystal field distribution, is studied. The study implies that the inhomogeneity of the crystal field attenuates the quenching effects. The model is interesting to the study of disordered rare-earth intermetallic compounds. (A.C.A.S.) [pt

Effect of pressure on the crystal field splitting in rare earth pnictides and chalcogenides

International Nuclear Information System (INIS)

Schirber, J.E.; Weaver, H.T.

1978-01-01

The experimental situation for the pressure dependence of the crystal field of praseodymium pnictides and chalcogenides is reviewed and compared with the predictions of the point charge model. The problem of separating exchange and crystal field contributions from the measured NMR frequency shift or susceptibility measurements is discussed as well as problems explaining these effects with conduction electron related models

Crystal growth of pure substances: Phase-field simulations in comparison with analytical and experimental results

Science.gov (United States)

Nestler, B.; Danilov, D.; Galenko, P.

2005-07-01

A phase-field model for non-isothermal solidification in multicomponent systems [SIAM J. Appl. Math. 64 (3) (2004) 775-799] consistent with the formalism of classic irreversible thermodynamics is used for numerical simulations of crystal growth in a pure material. The relation of this approach to the phase-field model by Bragard et al. [Interface Science 10 (2-3) (2002) 121-136] is discussed. 2D and 3D simulations of dendritic structures are compared with the analytical predictions of the Brener theory [Journal of Crystal Growth 99 (1990) 165-170] and with recent experimental measurements of solidification in pure nickel [Proceedings of the TMS Annual Meeting, March 14-18, 2004, pp. 277-288; European Physical Journal B, submitted for publication]. 3D morphology transitions are obtained for variations in surface energy and kinetic anisotropies at different undercoolings. In computations, we investigate the convergence behaviour of a standard phase-field model and of its thin interface extension at different undercoolings and at different ratios between the diffuse interface thickness and the atomistic capillary length. The influence of the grid anisotropy is accurately analyzed for a finite difference method and for an adaptive finite element method in comparison.

Neutron Crystal-Field Spectroscopy and Susceptibility in ErcY1-cA1

DEFF Research Database (Denmark)

Heer, H.; Furrer, A.; Walker, E.

1974-01-01

Inelastic neutron scattering experiments and susceptibility measurements have been carried out on polycrystalline ErcY1-cAl2. A least-squares fitting procedure has been applied to the neutron data which favours four sets of crystal-field parameters. The results are compared with the measured...... susceptibility and other bulk magnetic properties. From this it is concluded that the crystal-field parameters x=-0.54 and W=-0.018 meV are the most probable ones....

Field-controllable Spin-Hall Effect of Light in Optical Crystals: A Conoscopic Mueller Matrix Analysis.

Science.gov (United States)

Samlan, C T; Viswanathan, Nirmal K

2018-01-31

Electric-field applied perpendicular to the direction of propagation of paraxial beam through an optical crystal dynamically modifies the spin-orbit interaction (SOI), leading to the demonstration of controllable spin-Hall effect of light (SHEL). The electro- and piezo-optic effects of the crystal modifies the radially symmetric spatial variation in the fast-axis orientation of the crystal, resulting in a complex pattern with different topologies due to the symmetry-breaking effect of the applied field. This introduces spatially-varying Pancharatnam-Berry type geometric phase on to the paraxial beam of light, leading to the observation of SHEL in addition to the spin-to-vortex conversion. A wave-vector resolved conoscopic Mueller matrix measurement and analysis provides a first glimpse of the SHEL in the biaxial crystal, identified via the appearance of weak circular birefringence. The emergence of field-controllable fast-axis orientation of the crystal and the resulting SHEL provides a new degree of freedom for affecting and controlling the spin and orbital angular momentum of photons to unravel the rich underlying physics of optical crystals and aid in the development of active photonic spin-Hall devices.

Molding resonant energy transfer by colloidal crystal: Dexter transfer and electroluminescence

Science.gov (United States)

González-Urbina, Luis; Kolaric, Branko; Libaers, Wim; Clays, Koen

2010-05-01

Building photonic crystals by combination of colloidal ordering and metal sputtering we were able to construct a system sensitive to an electrical field. In corresponding crystals we embedded the Dexter pair (Ir(ppy3) and BAlq) and investigated the influence of the band gap on the resonant energy transfer when the system is excited by light and by an electric field respectively. Our investigations extend applications of photonic crystals into the field of electroluminescence and LED technologies.

Numerically simulated and experimentally obtained X-ray section topographs of a spherical strain field in a floating zone silicon crystal

International Nuclear Information System (INIS)

Okitsu, Kouhei; Iida, Satoshi; Sugita, Yoshimitsu; Takeno, Hiroshi; Yagou, Yasuyoshi; Kawata, Hiroshi.

1992-01-01

An undoped floating zone (FZ) silicon crystal has been investigated by synchrotron X-radiation section topography with high-order reflections up to 14 14 0. Numerically simulated topographs based on the Takagi-Taupin equations were in good agreement with experimental distorted patterns when a spherical strain field was assumed in the crystal. The volume change of the lattice caused by the strain center was estimated to correspond to a sphere with a radius of 10 μm. (author)

Twinning processes in Cu-Al-Ni martensite single crystals investigated by neutron single crystal diffraction method

International Nuclear Information System (INIS)

Molnar, P.; Sittner, P.; Novak, V.; Lukas, P.

2008-01-01

A neutron single crystal diffraction method for inspecting the quality of martensite single crystals is introduced. True interface-free martensite single crystals are indispensable for, e.g. measurement of elastic constants of phases by ultrasonic techniques. The neutron diffraction method was used to detect and distinguish the presence of individual lattice correspondence variants of the 2H orthorhombic martensite phase in Cu-Al-Ni as well as to follow the activity of twinning processes during the deformation test on the martensite variant single crystals. When preparing the martensite single variant prism-shaped crystals by compression deformation method, typically a small fraction of second unwanted martensitic variant (compound twin) remains in the prism samples. Due to the very low stress (∼1 MPa) for the compound twinning in many shape memory alloys, it is quite difficult not only to deplete the martensite prisms of all internal interfaces but mainly to keep them in the martensite single variant state for a long time needed for further investigations

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

International Nuclear Information System (INIS)

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

2005-01-01

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

Travelling-wave amplitudes as solutions of the phase-field crystal equation

Science.gov (United States)

Nizovtseva, I. G.; Galenko, P. K.

2018-01-01

The dynamics of the diffuse interface between liquid and solid states is analysed. The diffuse interface is considered as an envelope of atomic density amplitudes as predicted by the phase-field crystal model (Elder et al. 2004 Phys. Rev. E 70, 051605 (doi:10.1103/PhysRevE.70.051605); Elder et al. 2007 Phys. Rev. B 75, 064107 (doi:10.1103/PhysRevB.75.064107)). The propagation of crystalline amplitudes into metastable liquid is described by the hyperbolic equation of an extended Allen-Cahn type (Galenko & Jou 2005 Phys. Rev. E 71, 046125 (doi:10.1103/PhysRevE.71.046125)) for which the complete set of analytical travelling-wave solutions is obtained by the method (Malfliet & Hereman 1996 Phys. Scr. 15, 563-568 (doi:10.1088/0031-8949/54/6/003); Wazwaz 2004 Appl. Math. Comput. 154, 713-723 (doi:10.1016/S0096-3003(03)00745-8)). The general solution of travelling waves is based on the function of hyperbolic tangent. Together with its set of particular solutions, the general solution is analysed within an example of specific task about the crystal front invading metastable liquid (Galenko et al. 2015 Phys. D 308, 1-10 (doi:10.1016/j.physd.2015.06.002)). The influence of the driving force on the phase-field profile, amplitude velocity and correlation length is investigated for various relaxation times of the gradient flow. This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

Theory of electrolyte crystallization in magnetic field

DEFF Research Database (Denmark)

Madsen, Hans Erik Lundager

2007-01-01

phenomena. The basis of the theory is a crystal model of a sparingly soluble salt with NaCl structure, where the ions are divalent, and the anion is a base. It is assumed that almost all the anions in the surface layer are protonized, and that an approaching metal ion pushes the proton away...... enter an excited state due to its momentum. Spin relaxation in magnetic field may remove hindrances to proton transfer. The theory is supported by numerical results from model calculations....

Modeling of ultrafast THz interactions in molecular crystals

DEFF Research Database (Denmark)

Pedersen, Pernille Klarskov; Clark, Stewart J.; Jepsen, Peter Uhd

2014-01-01

In this paper we present a numerical study of terahertz pulses interacting with crystals of cesium iodide. We model the molecular dynamics of the cesium iodide crystals with the Density Functional Theory software CASTEP, where ultrafast terahertz pulses are implemented to the CASTEP software...... to interact with molecular crystals. We investigate the molecular dynamics of cesium iodide crystals when interacting with realistic terahertz pulses of field strengths from 0 to 50 MV/cm. We find nonlinearities in the response of the CsI crystals at field strengths higher than 10 MV/cm....

Low-frequency electromagnetic field in a Wigner crystal

OpenAIRE

Stupka, Anton

2016-01-01

Long-wave low-frequency oscillations are described in a Wigner crystal by generalization of the reverse continuum model for the case of electronic lattice. The internal self-consistent long-wave electromagnetic field is used to describe the collective motions in the system. The eigenvectors and eigenvalues of the obtained system of equations are derived. The velocities of longitudinal and transversal sound waves are found.

Strong crystal field effect in ? - optical absorption study

Science.gov (United States)

Gajek, Z.; Krupa, J. C.

1998-12-01

=-1 Results of optical absorption measurements in polarized light on tetravalent neptunium diluted in a 0953-8984/10/50/021/img6 single crystal are reported. The recorded spectra are complex, pointing to the presence of an 0953-8984/10/50/021/img7 impurity. The electronic transitions assigned to the 0953-8984/10/50/021/img8 ion are interpreted in terms of the usual model, following the actual understanding of the neptunium electronic structure and independent theoretical predictions. R.m.s. deviations of the order of 0953-8984/10/50/021/img9 have been obtained for 42 levels fitted with 11 free parameters. The crystal field effect resulting from the fitting is considerably larger than that observed for the uranium ion in the same host.

AOM reconciling of crystal field parameters for UCl 3, UBr 3, UI 3 series

Science.gov (United States)

Gajek, Z.; Mulak, J.

1990-07-01

Available inelastic neutron scattering interpretations of crystal field effect in the uranium trihalides have been verified in terms of Angular Overlap Model. For UCl 3 a good reconciling of both INS and optical interpretations of crystal field effect has been obtained. On the contrary, the parameterizations for UBr 3 and UI 3 were found to be highly artificial and suggestion is given to experimentalists to reinterpret their INS spectra.

AOM reconciling of crystal field parameters for UCl3, UBr3, Ul3 series

International Nuclear Information System (INIS)

Gajek, Z.; Mulak, J.

1990-01-01

Available inelastic neutron scattering interpretations of crystal field effect in the uranium trihalides have been verified in terms of Angular Overlap Model. For UCl 3 a good reconciling of both INS and optical interpretations of crystal field effect has been obtained. On the contrary, the parameterizations for UBr 3 and UI 3 were found to be highly artificial and suggestion is given to experimentalists to reinterpret their INS spectra

Fine structure of fields in 2D photonic crystal waveguides

DEFF Research Database (Denmark)

Lavrinenko, Andrei; Volkov, V. S.; Bozhevolnyi, S. I.

2006-01-01

We resolve fine structure of fields in a single-row missing photonic crystal waveguide by finite-difference time-domain modelling and SNOM measurements. Both linear dispersion and slow-light regimes in proximity of the cutoff are addressed in the analysis....

The use of single-crystal iron frames in transient field measurements, ch. 3

International Nuclear Information System (INIS)

Zalm, P.C.

1977-01-01

An experimental technique for measuring g-factors of short-lived states (tausub(m)=0.1-10 ps) is discussed. In this method, one uses the strong hyperfine interaction caused by the transient magnetic field. The transient field method dates from 1967. A gain in measuring time of at least a factor of four is shown to be obtained by the use of a single crystal iron frame as a ferromagnetic target backing in which the excited nuclei, formed in a nuclear reaction, recoil. Such frames can be fully magnetized with low external fields as shown by magneto-optical Kerr-effect measurements. The important improvement is that the associated magnetic fringing field near the target is negligible. This is in contrast to the conventional set-up in which strong external fields, with corresponding large disturbing fringing fields, were necessary. The single-crystal set-up is compared to the conventional set-up in several transient field experiments and proves to be successful

radiation and electric field induced effects on the order-disorder phase in lithium sodium sulphate crystals

Science.gov (United States)

Hamed, A. E.; Kassem, M. E.; El-Wahidy, E. F.; El-Abshehy, M. A.

1995-03-01

The temperature dependence of specific heat at constant pressure, Cp(T), has been measured for lithium sodium sulphate, LiNaSo4 crystals, at different ?-radiation doses and external bias electric field (Eb), in the temperature range 300-900 K. A nonlinear dependence of transition temperature, T1 and a remarkable change in the thermodynamic parameters, were obtained as the effect of both electric field and ?-radiation. The effect of ?-radiation doses on the phase transition in LiNaSO4 crystals was explained as due to an internal bias field, Eb, originating from the interaction of polar defects with the order parameter of the host lattice. The internal bias field effect on the behaviour of Cp(T) in LiNaSO4 crystals was similar to that of the external electric field (E).

Crystal field parameters in UCl4: Experiment versus theory

International Nuclear Information System (INIS)

Zolnierek, Z.; Gajek, Z.; Khan Malek, C.

1984-01-01

Crystal field effect on U 4+ ion with the 3 H 4 ground term in tetragonal ligand field of UCl 4 has been studied in detail. Crystal field parameters determined experimentally from optical spectroscopy and magnetic susceptibility are in good agreement with CEP sets derived from the modified point charge model and the ab initio method. Theoretical calculations lead to overestimating the A 4 4 4 > and lowering the A 2 0 2 > values in comparison to those found in the experiments. The discrepancies are, however, within an accuracy of calculations. A large reduction of expectation values of the magnetic moment operator for the eigenvectors of lowest CF levels (17.8%), determined from magnetic susceptibility, cannot be attributed to the overlap and covalency effects only. The detailed calculations have shown that the latter effects provide about 4.6% reduction of respective matrix elements, and the applied J-J mixing procedure increases this factor up to 6.5%. Since similar, as in UCl 4 , reduction factor (proportional15%) has already been observed in a number of different uranium compounds, it seems to be likely that this feature is involved in the intrinsic properties of the U 4+ ion. We endeavor to explain this effect in terms of configuration interaction mechanisms. (orig.)

Crystal field parameters in UCI 4: Experiment versus theory

Science.gov (United States)

Zolnierek, Z.; Gajek, Z.; Malek, Ch. Khan

1984-08-01

Crystal field effect on U 4+ ion with the 3H 4 ground term in tetragonal ligand field of UCl 4 has been studied in detail. Crystal field parameters determined experimentally from optical spectroscopy and magnetic susceptibility are in good agreement with CFP sets derived from the modified point charge model and the ab initio method. Theoretical calculations lead to overestimating the A44 and lowering the A02 values in comparison to those found in the experiments. The discrepancies are, however, within an accuracy of calculations. A large reduction of expectation values of the magnetic moment operator for the eigenvectors of lowest CF levels (17.8%), determined from magnetic susceptibility, cannot be attributed to the overlap and covalency effects only. The detailed calculations have shown that the latter effects provide about 4.6% reduction of respective matrix elements, and the applied J-J mixing procedure increases this factor up to 6.5%. Since similar, as in UCl 4, reduction factor(≈15%) has already been observed in a number of different uranium compounds, it seems likely that this feature is involved in the intrinsic properties of the U 4+ ion. We endeavor to explain this effect in terms of configuration interaction mechanisms.

Investigation of SiC crystals by means of synchrotron topography

International Nuclear Information System (INIS)

Wierzchowski, W.; Tymicki, E.; Balcer, T.; Pawlowska, M.; Wieteska, K.; Malinowska, A.; Wierzbicka, E.; Grasza, K.; Graeff, W.

2006-01-01

The crystallographic quality of monopolytypic 6H SiC crystals grown by Physical Vapour Transport in graphite crucible was studied. The diameter of crystals was increased up to 65 mm. The crystals were investigated using several methods of characterisation including white and monochromatic beam synchrotron diffraction topography and scanning electron microscopy. Particularly useful results were obtained using back reflection white beam synchrotron section topography, which provided the intersection of the large thickness of the sample investigated. The topographs revealed a great part of macro and micropipes present in the samples, reproduced as white areas. The additional possibility offered the section topographs taken using a fine grid with the distance between the wires equal to 0.7 mm, which enabled evaluation of the lattice deformation. The scanning electron microscopy was also very useful in studying the micropipes and voids as well as in observation of the selective etching pattern. (author)

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

Science.gov (United States)

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

2018-06-01

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

Vectorial near-field imaging of a GaN based photonic crystal cavity

International Nuclear Information System (INIS)

La China, F.; Intonti, F.; Caselli, N.; Lotti, F.; Vinattieri, A.; Gurioli, M.; Vico Triviño, N.; Carlin, J.-F.; Butté, R.; Grandjean, N.

2015-01-01

We report a full optical deep sub-wavelength imaging of the vectorial components of the electric local density of states for the confined modes of a modified GaN L3 photonic crystal nanocavity. The mode mapping is obtained with a scanning near-field optical microscope operating in a resonant forward scattering configuration, allowing the vectorial characterization of optical passive samples. The optical modes of the investigated cavity emerge as Fano resonances and can be probed without the need of embedded light emitters or evanescent light coupling into the nanocavity. The experimental maps, independently measured in the two in-plane polarizations, turn out to be in excellent agreement with numerical predictions

On beam shaping of the field radiated by a line source coupled to finite or infinite photonic crystals.

Science.gov (United States)

Ceccuzzi, Silvio; Jandieri, Vakhtang; Baccarelli, Paolo; Ponti, Cristina; Schettini, Giuseppe

2016-04-01

Comparison of the beam-shaping effect of a field radiated by a line source, when an ideal infinite structure constituted by two photonic crystals and an actual finite one are considered, has been carried out by means of two different methods. The lattice sums technique combined with the generalized reflection matrix method is used to rigorously investigate the radiation from the infinite photonic crystals, whereas radiation from crystals composed of a finite number of rods along the layers is analyzed using the cylindrical-wave approach. A directive radiation is observed with the line source embedded in the structure. With an increased separation distance between the crystals, a significant edge diffraction appears that provides the main radiation mechanism in the finite layout. Suitable absorbers are implemented to reduce the above-mentioned diffraction and the reflections at the boundaries, thus obtaining good agreement between radiation patterns of a localized line source coupled to finite and infinite photonic crystals, when the number of periods of the finite structure is properly chosen.

A simple localized-itinerant model for PrAl3: crystal field and exchange effects

International Nuclear Information System (INIS)

Ranke, P.J. von; Palermo, L.

1990-01-01

We present a simple magnetic model for PrAl sub(3). The effects of crystal field are treated using a reduced set of levels and the corresponding wave functions are extracted from the actual crystal field levels of Pr sup(+3) in a hexagonal symmetry. The exchange between 4f- and conduction electrons are dealt within a molecular field approximation. An analytical magnetic state equation is derived and the magnetic behaviour discussed. The parameters of the model are estimated from a fitting of the inverse susceptibility of PrAl sub(3) given in the literature. (author)

Waveguide modes of 1D photonic crystals in a transverse magnetic field

Energy Technology Data Exchange (ETDEWEB)

Sylgacheva, D. A., E-mail: sylgacheva.darjja@physics.msu.ru; Khokhlov, N. E.; Kalish, A. N.; Belotelov, V. I. [Moscow State University, Physics Department (Russian Federation)

2016-11-15

We analyze waveguide modes in 1D photonic crystals containing layers magnetized in the plane. It is shown that the magnetooptical nonreciprocity effect emerges in such structures during the propagation of waveguide modes along the layers and perpendicularly to the magnetization. This effect involves a change in the phase velocity of the mode upon reversal of the direction of magnetization. Comparison of the effects in a nonmagnetic photonic crystal with an additional magnetic layer and in a photonic crystal with magnetic layers shows that the magnitude of this effect is several times larger in the former case in spite of the fact that the electromagnetic field of the modes in the latter case is localized in magnetic regions more strongly. This is associated with asymmetry of the dielectric layers contacting with the magnetic layer in the former case. This effect is important for controlling waveguide structure modes with the help of an external magnetic field.

Investigation of the liquid crystal alignment layer: effect on electrical properties

International Nuclear Information System (INIS)

Abderrahmen, Asma; Romdhane, Fayda Fekih; Gharbi, Abdelhafidh; Ouada, Hafedh Ben

2008-01-01

We investigate the electrical behavior of a symmetric liquid crystal (LC) cell: elecrode-silane-LC-silane-electrode. The silane (chlorodimethyloctadecyl-silane) layer induces a homeotropic orientation of the nematic liquid crystal (NLC) molecules. The wettability technique is used to detect the change of the surface energy of the electrode upon cleaning and silane layer deposition. We report on the dynamic impedance measurements of the nematic liquid crystal cell. It is found that the silane alignment layer has a blocking effect on the liquid crystal (LC) cell. We also study the relaxation behavior of the cell which is later assimilated as an electrical equivalent circuit

Investigation of the liquid crystal alignment layer: effect on electrical properties

Energy Technology Data Exchange (ETDEWEB)

Abderrahmen, Asma; Romdhane, Fayda Fekih; Gharbi, Abdelhafidh [Laboratoire de la matiere molle, Faculte des sciences, Tunis (Tunisia); Ouada, Hafedh Ben [Laboratoire de physique et chimie des interfaces, Faculte des sciences, 5000 Monastir (Tunisia)], E-mail: asma_abderrahmen@yahoo.fr

2008-04-01

We investigate the electrical behavior of a symmetric liquid crystal (LC) cell: elecrode-silane-LC-silane-electrode. The silane (chlorodimethyloctadecyl-silane) layer induces a homeotropic orientation of the nematic liquid crystal (NLC) molecules. The wettability technique is used to detect the change of the surface energy of the electrode upon cleaning and silane layer deposition. We report on the dynamic impedance measurements of the nematic liquid crystal cell. It is found that the silane alignment layer has a blocking effect on the liquid crystal (LC) cell. We also study the relaxation behavior of the cell which is later assimilated as an electrical equivalent circuit.

Modeling local structure using crystal field and spin Hamiltonian parameters: the tetragonal FeK3+-OI2- defect center in KTaO3 crystal

International Nuclear Information System (INIS)

Gnutek, P; Rudowicz, C; Yang, Z Y

2009-01-01

The local structure and the spin Hamiltonian (SH) parameters, including the zero-field-splitting (ZFS) parameters D and (a+2F/3), and the Zeeman g factors g || and g perpendicular , are theoretically investigated for the Fe K 3+ -O I 2- center in KTaO 3 crystal. The microscopic SH (MSH) parameters are modeled within the framework of the crystal field (CF) theory employing the CF analysis (CFA) package, which also incorporates the MSH modules. Our approach takes into account the spin-orbit interaction as well as the spin-spin and spin-other-orbit interactions omitted in previous studies. The superposition model (SPM) calculations are carried out to provide input CF parameters for the CFA/MSH package. The combined SPM-CFA/MSH approach is used to consider various structural models for the Fe K 3+ -O I 2- defect center in KTaO 3 . This modeling reveals that the off-center displacement of the Fe 3+ ions, Δ 1 (Fe 3+ ), combined with an inward relaxation of the nearest oxygen ligands, Δ 2 (O 2- ), and the existence of the interstitial oxygen O I 2- give rise to a strong tetragonal crystal field. This finding may explain the large ZFS experimentally observed for the Fe K 3+ -O I 2- center in KTaO 3 . Matching the theoretical MSH predictions with the available structural data as well as electron magnetic resonance (EMR) and optical spectroscopy data enables predicting reasonable ranges of values of Δ 1 (Fe 3+ ) and Δ 2 (O 2- ) as well as the possible location of O I 2- ligands around Fe 3+ ions in KTaO 3 . The defect structure model obtained using the SPM-CFA/MSH approach reproduces very well the ranges of the experimental SH parameters D, g || and g perpendicular and importantly yields not only the correct magnitude of D but also the sign, unlike previous studies. More reliable predictions may be achieved when experimental data on (a+2F/3) and/or crystal field energy levels become available. Comparison of our results with those arising from alternative models existing

Dipolar local field in homogeneously magnetized quasi-two-dimensional crystals

International Nuclear Information System (INIS)

Leon, H; Estevez-Rams, E

2009-01-01

A formalism to calculate the dipolar local field in homogeneously magnetized quasi-two-dimensional (Q2D) crystals is comprehensively presented. Two fundamental tests for this formalism are accomplished: the transition from the Q2D quantities to the corresponding 3D ones; and the recovering of the macroscopic quantities of the 3D continuum theory. The additive separation between lattice and shape contributions to the local field allows an unambiguous interpretation of the respective effects. Calculated demagnetization tensors for square and circular lateral geometries of dipole layers show that for a single crystal layer an extremely thin film, but still with a finite thickness, is a better physical representation than a strictly 2D plane. Distinct close-packed structures are simulated and calculations of the local field at the nodes of the stacked 2D lattices allow one to establish the number of significantly coupled dipole layers, depending on the ratio between the interlayer distance and the 2D lattice constant. The conclusions drawn are of interest for the study of the dipolar interaction in magnetic ultrathin films and other nanostructured materials, where magnetic nanoparticles are embedded in non-magnetic matrices.

Nanomechanical control of optical field and quality factor in photonic crystal structures

Science.gov (United States)

Cotrufo, Michele; Midolo, Leonardo; Zobenica, Žarko; Petruzzella, Maurangelo; van Otten, Frank W. M.; Fiore, Andrea

2018-03-01

Actively controlling the properties of localized optical modes is crucial for cavity quantum electrodynamics experiments. While several methods to tune the optical frequency have been demonstrated, the possibility of controlling the shape of the modes has scarcely been investigated. Yet an active manipulation of the mode pattern would allow direct control of the mode volume and the quality factor and therefore of the radiative processes. In this work, we propose and demonstrate a nano-optoelectromechanical device in which a mechanical displacement affects the spatial pattern of the electromagnetic field. The device is based on a double-membrane photonic crystal waveguide which, upon bending, creates a spatial modulation of the effective refractive index, resulting in an effective potential well or antiwell for the optical modes. The change in the field pattern drastically affects the optical losses: large modulations of the quality factors and dissipative coupling rates larger than 1 GHz/nm are predicted by calculations and confirmed by experiments. This concept opens new avenues in solid-state cavity quantum electrodynamics in which the field, instead of the frequency, is coupled to the mechanical motion.

Grain boundary barrier modification due to coupling effect of crystal polar field and water molecular dipole in ZnO-based structures

International Nuclear Information System (INIS)

Ji, Xu; Zhu, Yuan; Chen, Mingming; Su, Longxing; Chen, Anqi; Zhao, Chengchun; Gui, Xuchun; Xiang, Rong; Huang, Feng; Tang, Zikang

2014-01-01

Surface water molecules induced grain boundaries (GBs) barrier modification was investigated in ZnO and ZnMgO/ZnO films. Tunable electronic transport properties of the samples by water were characterized via a field effect transistor (FET) device structure. The FETs fabricated from polar C-plane ZnO and ZnMgO/ZnO films that have lots of GBs exhibited obvious double Schottky-like current-voltage property, whereas that fabricated from nonpolar M-plane samples with GBs and ZnO bulk single-crystal had no obvious conduction modulation effects. Physically, these hallmark properties are supposed to be caused by the electrostatical coupling effect of crystal polar field and molecular dipole on GBs barrier.

Ambipolar Cu- and Fe-phthalocyanine single-crystal field-effect transistors

NARCIS (Netherlands)

De Boer, R.W.I.; Stassen, A.F.; Craciun, M.F.; Mulder, C.L.; Molinari, A.; Rogge, S.; Morpurgo, A.F.

2005-01-01

We report the observation of ambipolar transport in field-effect transistors fabricated on single crystals of copper- and iron-phthalocyanine, using gold as a high work-function metal for the fabrication of source and drain electrodes. In these devices, the room-temperature mobility of holes reaches

Behaviour of nematic liquid crystals doped with ferroelectric nanoparticles in the presence of an electric field

Science.gov (United States)

Emdadi, M.; Poursamad, J. B.; Sahrai, M.; Moghaddas, F.

2018-06-01

A planar nematic liquid crystal cell (NLC) doped with spherical ferroelectric nanoparticles is considered. Polarisation of the nanoparticles are assumed to be along the NLC molecules parallel and antiparallel to the director with equal probability. The NLC molecules anchoring to the cell walls are considered to be strong, while soft anchoring at the nanoparticles surface is supposed. Behaviour of the NLC molecules and nanoparticles in the presence of a perpendicular electric field to the NLC cell is theoretically investigated. The electric field of the nanoparticles is taken into account in the calculations. Freedericksz transition (FT) threshold field in the presence of nanoparticles is found. Then, the director and particles reorientations for the electric fields larger than the threshold field are studied. Measuring the onset of the nanoparticles reorientation is proposed as a new method for the FT threshold measurement.

Superconducting transition and low-field magnetoresistance of a niobium single crystal at 4.2 deg. K

International Nuclear Information System (INIS)

Perriot, G.

1967-01-01

We report the study of the electrical resistance of a niobium single crystal, at 4.2 deg. K, from the beginning of the superconductive transition to 80 kilo oersteds. Critical fieldsH c2 and H c3 have been determined. Influences on superconductive transition of current density, field-current angle, crystal orientation and magnetoresistance have been studied. Variation laws of low-field transverse and longitudinal magneto-resistances have been determined. (author) [fr

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

Science.gov (United States)

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

2017-07-01

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

Size effects in spin-crossover nanoparticles in framework of 2D and 3D Ising-like breathing crystal field model

International Nuclear Information System (INIS)

Gudyma, Iu.; Maksymov, A.; Spinu, L.

2015-01-01

Highlights: • We study the thermal hysteresis in spin-crossover nanoparticles with stochastic perturbation. • The dependence of system behavior on its dimensionality and size were examined. • The spin-crossover compounds where described by breathing crystal field Ising-like model. • The fluctuations may enlarge the hysteresis width which is dependent on the system size. - Abstract: The spin-crossover nanoparticles of different sizes and stochastic perturbations in external field taking into account the influence of the dimensionality of the lattice was studied. The analytical tools used for the investigation of spin-crossover system are based on an Ising-like model described using of the breathing crystal field concept. The changes of transition temperatures characterizing the systems’ bistable properties for 2D and 3D lattices, and their dependence on its size and fluctuations strength were obtained. The state diagrams with hysteretic and non-hysteretic behavior regions have also been determined.

Size effects in spin-crossover nanoparticles in framework of 2D and 3D Ising-like breathing crystal field model

Energy Technology Data Exchange (ETDEWEB)

Gudyma, Iu. [Department of General Physics, Chernivtsi National University, Chernivtsi 58012 (Ukraine); Maksymov, A., E-mail: maxyartur@gmail.com [Department of General Physics, Chernivtsi National University, Chernivtsi 58012 (Ukraine); Advanced Material Research Institute (AMRI), University of New Orleans, New Orleans, LA 70148 (United States); Spinu, L. [Advanced Material Research Institute (AMRI), University of New Orleans, New Orleans, LA 70148 (United States); Department of Physics, University of New Orleans, New Orleans, LA 70148 (United States)

2015-10-15

Highlights: • We study the thermal hysteresis in spin-crossover nanoparticles with stochastic perturbation. • The dependence of system behavior on its dimensionality and size were examined. • The spin-crossover compounds where described by breathing crystal field Ising-like model. • The fluctuations may enlarge the hysteresis width which is dependent on the system size. - Abstract: The spin-crossover nanoparticles of different sizes and stochastic perturbations in external field taking into account the influence of the dimensionality of the lattice was studied. The analytical tools used for the investigation of spin-crossover system are based on an Ising-like model described using of the breathing crystal field concept. The changes of transition temperatures characterizing the systems’ bistable properties for 2D and 3D lattices, and their dependence on its size and fluctuations strength were obtained. The state diagrams with hysteretic and non-hysteretic behavior regions have also been determined.

High-field Transport in Low Symmetry β-Ga2O3 Crystal

Science.gov (United States)

Ghosh, Krishnendu; Singisetti, Uttam

High-field carrier transport plays an important role in many disciplines of electronics. Conventional transport theories work well on high-symmetry materials but lacks insight as the crystal symmetry goes down. Newly emerging materials, many of which possess low symmetry, demand more rigorous treatment of charge transport. We will present a comprehensive study of high-field transport using ab initio electron-phonon interaction (EPI) elements in a full-band Monte Carlo (FBMC) algorithm. We use monoclinic β-Ga2O3 as a benchmark low-symmetry material which is also an emerging wide-bandgap semiconductor. β-Ga2O3 has a C2m space group and a 10 atom primitive cell. In this work the EPIs are calculated under density-functional perturbation theory framework. We will focus on the computational challenges arising from many phonon modes and low crystal symmetry. Significant insights will be presented on the details of energy relaxation by the hot electrons mediated by different phonon modes. We will also show the velocity-field curves of electrons in different crystal directions. The authors acknowledge the support from the National Science Foundation Grant (ECCS 1607833). The authors also acknowledge the computing support provided by the Center for Computational Research at the University at Buffalo.

Crystal field effect in YbMnO.sub.3./sub..

Czech Academy of Sciences Publication Activity Database

Diviš, M.; Hölsä, J.; Lastusaari, M.; Litvinchuk, A. P.; Nekvasil, Vladimír

2008-01-01

Roč. 451, 1-2 (2008), s. 662-665 ISSN 0925-8388 R&D Projects: GA AV ČR IAA100100627 Institutional research plan: CEZ:AV0Z10100521 Keywords : ytterbium * manganites * IR spectroscopy * crystal field Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.510, year: 2008

Phase field simulations of ice crystal growth in sugar solutions

NARCIS (Netherlands)

Sman, Van Der R.G.M.

2016-01-01

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

Low-frequency-field-induced spontaneous-emission interference in a two-level atom placed in an anisotropic photonic crystal

International Nuclear Information System (INIS)

Li Gaoxiang; Evers, Joerg; Keitel, Christoph H

2005-01-01

We investigate the spontaneous-emission properties of a two-level atom embedded in a three-dimensional anisotropic photonic crystal. In addition to the modified density of states, the atom is driven by a coherent intense low-frequency field (LFF), which creates additional multiphoton decay channels with the exchange of two low-frequency photons and one spontaneous photon during an atomic transition. Due to the low frequency of the applied field, the various transition pathways may interfere with each other and thus give rise to a modified system dynamics. We find that even if all the atomic (bare and induced) transition frequencies are in the conducting band of the photonic crystal, there still may exist a photon-atom bound state in coexistence with propagating modes. The system also allows us to generate narrow lines in the spontaneous-emission spectrum. This spectrum is a function of the distance of the observer from the atom due to the band gap in the photonic crystal. The system properties depend on three characteristic frequencies, which are influenced by quantum interference effects. Thus these results can be attributed to a combination of interference and band-gap effects

Wide-field imaging of birefringent synovial fluid crystals using lens-free polarized microscopy for gout diagnosis

Science.gov (United States)

Zhang, Yibo; Lee, Seung Yoon Celine; Zhang, Yun; Furst, Daniel; Fitzgerald, John; Ozcan, Aydogan

2016-06-01

Gout is a form of crystal arthropathy where monosodium urate (MSU) crystals deposit and elicit inflammation in a joint. Diagnosis of gout relies on identification of MSU crystals under a compensated polarized light microscope (CPLM) in synovial fluid aspirated from the patient’s joint. The detection of MSU crystals by optical microscopy is enhanced by their birefringent properties. However, CPLM partially suffers from the high-cost and bulkiness of conventional lens-based microscopy, and its relatively small field-of-view (FOV) limits the efficiency and accuracy of gout diagnosis. Here we present a lens-free polarized microscope which adopts a novel differential and angle-mismatched polarizing optical design achieving wide-field and high-resolution holographic imaging of birefringent objects with a color contrast similar to that of a standard CPLM. The performance of this computational polarization microscope is validated by imaging MSU crystals made from a gout patient’s tophus and steroid crystals used as negative control. This lens-free polarized microscope, with its wide FOV (>20 mm2), cost-effectiveness and field-portability, can significantly improve the efficiency and accuracy of gout diagnosis, reduce costs, and can be deployed even at the point-of-care and in resource-limited clinical settings.

Effect of an external magnetic field on polytypism of CdI2 crystals grown from solutions

International Nuclear Information System (INIS)

Palosz, B.; Przedmojski, J.

1982-01-01

The effect of growth conditions on the polytypic structure of crystals of CdI 2 was analyzed for crystallization from solutions. Three solvents were used: H 2 O, 3 H 2 O + 1 C 2 H 5 OH and 1 H 2 O + 1 C 2 H 5 OH. Crystals were grown at two temperatures: 5 and 25 0 C with low and high growth rates; an external magnetic field of about 0.25 tesla was used. The effect of the above three parameters on the formation of the basic polytypes 2H and 4H and on the ordering of faults in disordered structures and in polytype cells was studied by X-ray analysis of crystal surfaces. Some distinct relations between the polytypic structure of crystals of CdI 2 and the magnetic field were found. (author)

On the neutron diffraction in a crystal in the field of a standing laser wave

International Nuclear Information System (INIS)

Grigoryan, K.K.; Hayrapetyan, A.G.; Petrosyan, R.G.

2010-01-01

The possibility of high-energy neutron diffraction in a crystal is shown by applying the solution of time-dependent Schroedinger equation for a neutron in the field of a standing laser wave. The scattering picture is examined within the framework of non-stationary S-matrix theory, where the neutron-laser field interaction is considered exactly and the neutron-crystal interaction is considered as a perturbation described by Fermi pseudopotential (Farri representation). The neutron-crystal interaction is elastic, and the neutron-laser field interaction has both inelastic and elastic behaviors which results in the observation of an analogous to the Kapitza-Dirac effect for neutrons. The neutron scattering probability is calculated and the analysis of the results are adduced. Both inelastic and elastic diffraction conditions are obtained and the formation of a 'sublattice' is illustrated in the process of neutron-photon-phonon elastic interaction.

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.

Impact of incoherent pumping field and Er3+ ion concentration on group velocity and index of refraction in an Er3+-doped YAG crystal

International Nuclear Information System (INIS)

Jafarzadeh, Hossein; Asadpour, Seyyed Hossein; Soleimani, H Rahimpour

2015-01-01

The effect of Er 3+ ion concentration and incoherent pumping field on the refractive index and group index in an Er 3+ : YAG crystal is investigated. It is shown that under different concentrations of Er 3+ ion in the crystal, the index of refraction and absorption can be changed and a high index of refraction is accompanied by amplification in the medium. Also, it is shown that with the switching from subluminal to superluminal, or vice versa, light propagation can be obtained by different concentrations of Er 3+ ions in the crystal. (paper)

Investigation of organic desulfurization additives affecting the calcium sulfate crystals formation

Directory of Open Access Journals (Sweden)

Lv Lina

2017-01-01

Full Text Available In the study, the optimal experimental conditions for gypsum crystals formation were 323 K, 300 rpm stirring speed. The major impurities of Mg2+, Al3+ and Fe3+ were found to inhibit calcium sulfate crystals formation. Fe3+ caused the strongest inhibition, followed by Mg2+ and Al3+. The influence of desulfurization additives on the gypsum crystals formation was explored with the properties of moisture content, particle size distribution and crystal morphology. The organic desulfurization additives of adipic acid, citric acid, sodium citrate and benzoic acid were investigated. Citric acid and sodium citrate were found to improve the quality of gypsum. Moisture contents were reduced by more than 50%, gypsum particle sizes were respectively enlarged by 9.1 and 22.8%, induction time extended from 4.3 (blank to 5.3 and 7.8 min, and crystal morphology trended to be thicker.

A statistical analysis of the elastic distortion and dislocation density fields in deformed crystals

KAUST Repository

Mohamed, Mamdouh S.

2015-05-18

The statistical properties of the elastic distortion fields of dislocations in deforming crystals are investigated using the method of discrete dislocation dynamics to simulate dislocation structures and dislocation density evolution under tensile loading. Probability distribution functions (PDF) and pair correlation functions (PCF) of the simulated internal elastic strains and lattice rotations are generated for tensile strain levels up to 0.85%. The PDFs of simulated lattice rotation are compared with sub-micrometer resolution three-dimensional X-ray microscopy measurements of rotation magnitudes and deformation length scales in 1.0% and 2.3% compression strained Cu single crystals to explore the linkage between experiment and the theoretical analysis. The statistical properties of the deformation simulations are analyzed through determinations of the Nye and Kröner dislocation density tensors. The significance of the magnitudes and the length scales of the elastic strain and the rotation parts of dislocation density tensors are demonstrated, and their relevance to understanding the fundamental aspects of deformation is discussed.

A statistical analysis of the elastic distortion and dislocation density fields in deformed crystals

KAUST Repository

Mohamed, Mamdouh S.; Larson, Ben C.; Tischler, Jon Z.; El-Azab, Anter

2015-01-01

The statistical properties of the elastic distortion fields of dislocations in deforming crystals are investigated using the method of discrete dislocation dynamics to simulate dislocation structures and dislocation density evolution under tensile loading. Probability distribution functions (PDF) and pair correlation functions (PCF) of the simulated internal elastic strains and lattice rotations are generated for tensile strain levels up to 0.85%. The PDFs of simulated lattice rotation are compared with sub-micrometer resolution three-dimensional X-ray microscopy measurements of rotation magnitudes and deformation length scales in 1.0% and 2.3% compression strained Cu single crystals to explore the linkage between experiment and the theoretical analysis. The statistical properties of the deformation simulations are analyzed through determinations of the Nye and Kröner dislocation density tensors. The significance of the magnitudes and the length scales of the elastic strain and the rotation parts of dislocation density tensors are demonstrated, and their relevance to understanding the fundamental aspects of deformation is discussed.

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-09-01

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

Investigation on the growth of DAST crystals of large surface area for THz applications

International Nuclear Information System (INIS)

Vijay, R. Jerald; Melikechi, N.; Thomas, Tina; Gunaseelan, R.; Arockiaraj, M. Antony; Sagayaraj, P.

2012-01-01

Graphical abstract: It is evident from the photographs that the crystal tend to grow as a needle (Fig. 1a) in the lower concentration region (2–3 g/200 mL); whereas, in the high concentration region (5 g/200 mL) though there is a marked enlargement in the size of the crystal, the morphology of the resulting DAST crystal is slightly irregular (Fig. 1d) in nature. Among the four concentrations employed, best result was obtained with the DAST–methanol solution of concentration 4 g/200 mL; which resulted in the DAST crystal of large surface area (270 mm 2 ) with high transparency and nearly square shape (Fig. 1c) in a growth period of 20–25 days. Highlights: ► DAST crystals of different sizes are obtained for different concentrations. ► The main focus is to grow DAST crystals with large surface area. ► Structural, optical, thermal and mechanical properties are investigated. - Abstract: The growth of high quality 4-N,N-dimethylamino-4-N-methyl-stilbazoliumtosylate (DAST) crystal with large surface area is reported by adopting the slope nucleation coupled slow evaporation method (SNM-SE). The structure and composition of the crystal are studied by single crystal X-ray diffraction and CHN analyses. The linear optical properties are investigated by UV–vis absorption. The melting point and thermal behavior of DAST are investigated using differential scanning calorimetric (DSC) and thermogravimetric analyses (TGA). The Vickers microhardness number (VHN) and work hardening coefficient of the grown crystal have been determined. The surface features of the DAST crystal are analyzed by scanning electron microscopy (SEM) and it confirmed the presence of narrow line defects (NLDs) in the sample.

Fast fringe-field switching of a liquid crystal cell by two-dimensional confinement with virtual walls

OpenAIRE

Choi, Tae-Hoon; Oh, Seung-Won; Park, Young-Jin; Choi, Yeongyu; Yoon, Tae-Hoon

2016-01-01

We report a simple method for reducing the response time of a fringe-field switching liquid crystal cell by using two-dimensional confinement of the liquid crystals. Through both numerical calculations and experiments, we show that the switching speed can be increased by several fold in a fringe-field switching cell by simply using a rubbing angle of zero, which causes virtual walls to be built when an electric field is applied between the interdigitated electrodes and the common electrode, w...

Actual and Idealized Crystal Field Parameterizations for the Uranium Ions in UF 4

Science.gov (United States)

Gajek, Z.; Mulak, J.; Krupa, J. C.

1993-12-01

The crystal field parameters for the actual coordination symmetries of the uranium ions in UF 4, C2 and C1, and for their idealizations to D2, C2 v , D4, D4 d , and the Archimedean antiprism point symmetries are given. They have been calculated by means of both the perturbative ab initio model and the angular overlap model and are referenced to the recent results fitted by Carnall's group. The equivalency of some different sets of parameters has been verified with the standardization procedure. The adequacy of several idealized approaches has been tested by comparison of the corresponding splitting patterns of the 3H 4 ground state. Our results support the parameterization given by Carnall. Furthermore, the parameterization of the crystal field potential and the splitting diagram for the symmetryless uranium ion U( C1) are given. Having at our disposal the crystal field splittings for the two kinds of uranium ions in UF 4, U( C2) and U( C1), we calculate the model plots of the paramagnetic susceptibility χ( T) and the magnetic entropy associated with the Schottky anomaly Δ S( T) for UF 4.

Magnetostriction of Tb-Dy-Fe crystals

International Nuclear Information System (INIS)

Mei Wu; Okane, T.; Umeda, T.

1998-01-01

left angle 111 right angle -oriented twin free Tb-Dy-Fe single crystals, left angle 112 right angle - and left angle 110 right angle -oriented twinned ''single'' Tb-Dy-Fe crystals were prepared using floating zone melting crystal growth methods. Magnetostrictive performances of the crystals were investigated. Better low-field properties were observed in the left angle 110 right angle twinned crystals than in the left angle 112 right angle crystals. The highest properties were achieved in the left angle 111 right angle twin free single crystals. Even though there were still oxidized particles in the present left angle 111 right angle single crystals, a large magnetostrictive jump of 1700 ppm and a very low saturation magnetic field of 500 Oe were obtained. To understand magnetization and magnetostriction of different Tb-Dy-Fe crystals, theoretical modeling was carried out based on a simplified domain rotation model. Magnetization moment rotation paths of different domains were simulated and hence the resultant magnetostriction was obtained, which could adequately account for the experimental results of different crystals. The limitation of the domain rotation model was also discussed. (orig.)

Crystal field and magnetism with Wannier functions: Orthorhombic rare-earth manganites

Czech Academy of Sciences Publication Activity Database

Novák, Pavel; Nekvasil, Vladimír; Knížek, Karel

358-359, MAY (2014), s. 228-232 ISSN 0304-8853 R&D Projects: GA ČR GA13-25251S Institutional support: RVO:68378271 Keywords : crystal field * rare- earth magnetism Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.970, year: 2014

Crystal-field tuning of photoluminescence in two-dimensional materials with embedded lanthanide ions

Energy Technology Data Exchange (ETDEWEB)

Xu, Ding; Chen, Weiyin; Zeng, Mengqi; Xue, Haifeng; Chen, Yunxu; Xiao, Yao; Zhang, Tao; Fu, Lei [College of Chemistry and Molecular Sciences, Institute for Advanced Studies, Wuhan University, Wuhan (China); Sang, Xiahan; Unocic, Raymond R.; Xiao, Kai [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN (United States)

2018-01-15

Lanthanide (Ln) group elements have been attracting considerable attention owing to the distinct optical properties. The crystal-field surroundings of Ln ions in the host materials can determine their energy level splitting, which is of vital importance to tailor their optical properties. 2D MoS{sub 2} single crystals were utilized as the host material to embed Eu{sup 3+} and energy-level splitting was achieved for tuning its photoluminescence (PL). The high anisotropy of the 2D host materials makes them distort the degenerate orbitals of the Ln ions more efficiently than the symmetrical bulk host materials. A significant red-shift of the PL peak for Eu{sup 3+} was observed. The strategy for tailoring the energy level splitting of Ln ions by the highly designable 2D material crystal field provides a new method to extend their optical properties. (copyright 2018 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Photonic crystal fiber injected with Fe{sub 3}O{sub 4} nanofluid for magnetic field detection

Energy Technology Data Exchange (ETDEWEB)

Thakur, Harneet V.; Nalawade, Sandipan M.; Gupta, Swati [Photonics Group, Department of Applied Physics, Defence Institute of Advanced Technology, Girinagar, Pune 411 025 (India); Kitture, Rohini [Department of Electronic-Science, Fergusson College, Pune 411 004 (India); Kale, S. N. [Nanotechnology Group, Department of Applied Physics, Defence Institute of Advanced Technology, Girinagar, Pune 411 025 (India)

2011-10-17

We report a magnetic field sensor having advantages of both photonic crystal fiber and optofluidics, combining them on a single platform by infiltrating small amount of Fe{sub 3}O{sub 4} magnetic optofluid/nanofluid in cladding holes of polarization-maintaining photonic crystal fiber. We demonstrated that magnetic field of few mT can be easily and very well detected with higher sensitivity of 242 pm/mT. The change in the birefringence values has been correlated to the response of nanofluid to applied field.

Evaluation of the exchange interaction and crystal fields in a prototype Dy2 SMM

Science.gov (United States)

Zhang, Qing; Sarachik, Myriam; Baker, Michael; Chen, Yizhang; Kent, Andrew; Pineda, Eufemio; McInnes, Eric

In order to gain an understanding of the INS and magnetization data obtained for Dy2, the simplest member of a newly synthesized family of dysprosium-based molecular magnets, we report on calculations of the magnetic behavior of a Dy2 cluster with the formula [hqH2][Dy2(hq)4(NO3)3].MeOH. The molecular complex contains one high symmetry Dy(III) ion and one low symmetry Dy(III) ion. Our calculations suggest that exchange coupling between the two ions controls the behavior of the magnetization at low temperature, while the crystal field of the low symmetry Dy(III) ion controls the behavior at higher temperature. A point charge electrostatic model, based on crystallographic coordinates, provides a starting point for the determination of the crystal field. Parameters in these calculations are adjusted to provide best fits to inelastic neutron scattering data (INS) and low temperature magnetometry: the INS measurements access crystal field energies and low temperature magnetization probes the Dy-Dy exchange interaction. Work supported by ARO W911NF-13-1-1025 (CCNY) and NSF-DMR-1309202 (NYU).

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

Science.gov (United States)

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

2014-01-14

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

Random crystal field effects on the integer and half-integer mixed-spin system

Science.gov (United States)

Yigit, Ali; Albayrak, Erhan

2018-05-01

In this work, we have focused on the random crystal field effects on the phase diagrams of the mixed spin-1 and spin-5/2 Ising system obtained by utilizing the exact recursion relations (ERR) on the Bethe lattice (BL). The distribution function P(Di) = pδ [Di - D(1 + α) ] +(1 - p) δ [Di - D(1 - α) ] is used to randomize the crystal field.The phase diagrams are found to exhibit second- and first-order phase transitions depending on the values of α, D and p. It is also observed that the model displays tricritical point, isolated point, critical end point and three compensation temperatures for suitable values of the system parameters.

Monoclinic MB phase and phase instability in [110] field cooled Pb(Zn1/3Nb2/3)O3-4.5%PbTiO3 single crystals

Science.gov (United States)

Yao, Jianjun; Cao, Hu; Ge, Wenwei; Li, Jiefang; Viehland, D.

2009-08-01

We report the finding of a monoclinic MB phase in Pb(Zn1/3Nb2/3)O3-4.5%PbTiO3 single crystals. High precision x-ray diffraction investigations of [110] field cooled crystals have shown a transformation sequence of cubic(C)→tetragonal(T)→orthorhombic(O)→monoclinic(MB), which is different from that previously reported [A.-E. Renault et al., J. Appl. Phys. 97, 044105 (2005)]. Beginning in the zero-field-cooled condition at 383 K, a rhombohedral (R)→MB→O sequence was observed with increasing field. Coexisting MB and O phases were then found upon removal of field, which fully transformed to MB on cooling to room temperature.

Creep Properties of NiAl-1Hf Single Crystals Re-Investigated

Science.gov (United States)

Whittenberger, J. Daniel; Locci, Ivan E.; Darolia, Ram; Bowman, Randy R.

2000-01-01

NiAl-1Hf single crystals have been shown to be quite strong at 1027 C, with strength levels approaching those of advanced Ni-based superalloys. Initial testing, however, indicated that the properties might not be reproducible. Study of the 1027 C creep behavior of four different NiAl-1Hf single-crystal ingots subjected to several different heat treatments indicated that strength lies in a narrow band. Thus, we concluded that the mechanical properties are reproducible. Recent investigations of the intermetallic NiAl have confirmed that minor alloying additions combined with single-crystal growth technology can produce elevated temperature strength levels approaching those of Ni-based superalloys. For example, General Electric alloy AFN 12 {Ni-48.5(at.%) Al-0.5Hf-1Ti-0.05Ga} has a creep rupture strength equivalent to Rene 80 combined with a approximately 30-percent lower density, a fourfold improvement in thermal conductivity, and the ability to form a self-protective alumina scale in aggressive environments. Although the compositions of strong NiAl single crystals are relatively simple, the microstructures are complex and vary with the heat treatment and with small ingot-toingot variations in the alloy chemistry. In addition, initial testing suggested a strong dependence between microstructure and creep strength. If these observations were true, the ability to utilize NiAl single-crystal rotating components in turbine machinery could be severely limited. To investigate the possible limitations in the creep response of high-strength NiAl single crystals, the NASA Glenn Research Center at Lewis Field initiated an in depth investigation of the effect of heat treatment on the microstructure and subsequent 1027 C creep behavior of [001]-oriented NiAl-1Hf with a nominal chemistry of Ni-47.5Al-1Hf-0.5Si. This alloy was selected since four ingots, grown over a number of years and possessing slightly different compositions, were available for study. Specimens taken from the

The influence of defect drift in external electric field on green luminescence of ZnO single crystals

International Nuclear Information System (INIS)

Korsunska, N.O.; Borkovska, L.V.; Bulakh, B.M.; Khomenkova, L.Yu.; Kushnirenko, V.I.; Markevich, I.V.

2003-01-01

In nominally undoped Zn O single crystals, the influence of electric field on photoluminescence in visible wavelength range was investigated. A well-known broad unstructured band consisting of green and orange ones was observed. It was found that the action of direct electric field of about 100 V/cm at 600-700 deg. C resulted in the increase of green band intensity near the cathode and its decrease near the anode, while orange band intensity was not influenced by this treatment. The redistribution of green band intensity along the sample under electric field is accounted for by drift of zinc interstitials from the anode to the cathode. It is supposed that emitting centres responsible for green luminescence are complex defects including zinc interstitials

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

Directory of Open Access Journals (Sweden)

Xiao Xiang

2017-12-01

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

Crystal field and magnetism with Wannier functions: rare-earth dopedaluminum garnets

Czech Academy of Sciences Publication Activity Database

Mihóková, Eva; Novák, Pavel; Laguta, Valentyn

2015-01-01

Roč. 33, č. 12 (2015), 1316-1323 ISSN 1002-0721 R&D Projects: GA ČR GA13-09876S Institutional support: RVO:68378271 Keywords : crystal field * ab initio calculations * garnets * rare earths Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.188, year: 2015

40-Tesla pulsed-field cryomagnet for single crystal neutron diffraction

Science.gov (United States)

Duc, F.; Tonon, X.; Billette, J.; Rollet, B.; Knafo, W.; Bourdarot, F.; Béard, J.; Mantegazza, F.; Longuet, B.; Lorenzo, J. E.; Lelièvre-Berna, E.; Frings, P.; Regnault, L.-P.

2018-05-01

We present the first long-duration and high duty cycle 40-T pulsed-field cryomagnet addressed to single crystal neutron diffraction experiments at temperatures down to 2 K. The magnet produces a horizontal field in a bi-conical geometry, ±15° and ±30° upstream and downstream of the sample, respectively. Using a 1.15 MJ mobile generator, magnetic field pulses of 100 ms length are generated in the magnet, with a rise time of 23 ms and a repetition rate of 6-7 pulses per hour at 40 T. The setup was validated for neutron diffraction on the CEA-CRG three-axis spectrometer IN22 at the Institut Laue Langevin.

Investigation of classical radiation reaction with aligned crystals

Energy Technology Data Exchange (ETDEWEB)

Di Piazza, A., E-mail: dipiazza@mpi-hd.mpg.de [Max-Planck-Institut für Kernphysik, Saupfercheckweg 1, D-69117 (Germany); Wistisen, Tobias N.; Uggerhøj, Ulrik I. [Department of Physics and Astronomy, Aarhus University, 8000 Aarhus (Denmark)

2017-02-10

Classical radiation reaction is the effect of the electromagnetic field emitted by an accelerated electric charge on the motion of the charge itself. The self-consistent underlying classical equation of motion including radiation–reaction effects, the Landau–Lifshitz equation, has never been tested experimentally, in spite of the first theoretical treatments of radiation reaction having been developed more than a century ago. Here we show that classical radiation reaction effects, in particular those due to the near electromagnetic field, as predicted by the Landau–Lifshitz equation, can be measured in principle using presently available facilities, in the energy emission spectrum of 30-GeV electrons crossing a 0.55-mm thick diamond crystal in the axial channeling regime. Our theoretical results indicate the feasibility of the suggested setup, e.g., at the CERN Secondary Beam Areas (SBA) beamlines.

Exchange and crystal field effects in the ESR spectra of Eu2+ in LaB6

Science.gov (United States)

Duque, J. G. S.; Urbano, R. R.; Venegas, P. A.; Pagliuso, P. G.; Rettori, C.; Fisk, Z.; Oseroff, S. B.

2007-09-01

Electron spin resonance of Eu2+ ( 4f7 , S=7/2 ) in a La hexaboride (LaB6) single crystal shows a single anisotropic Dysonian resonance. From the observed negative g shift of the resonance, it is inferred that the Eu2+ ions are covalent exchange coupled to the B2p -like host conduction electrons. From the anisotropy of the spectra (linewidth and field for resonance), we found that the S ground state of Eu2+ ions experience a cubic crystal field of a negative fourth order crystal field parameter (CFP), b4=-11.5(2.0)Oe , in agreement with the negative fourth order CFP, A4 , found for the non- S ground state R hexaborides. These results support covalency as the dominant contribution to the fourth order CFP for the whole R hexaboride family.

Crystal field parameters in UCl/sub 4/: Experiment versus theory

Energy Technology Data Exchange (ETDEWEB)

Zolnierek, Z.; Gajek, Z. (Polska Akademia Nauk, Wroclaw. Inst. Niskich Temperatur i Badan Strukturalnych); Khan Malek, C. (Paris-11 Univ., 91 - Orsay (France). Inst. de Physique Nucleaire)

1984-08-01

Crystal field effect on U/sup 4 +/ ion with the /sup 3/H/sub 4/ ground term in tetragonal ligand field of UCl/sub 4/ has been studied in detail. Crystal field parameters determined experimentally from optical spectroscopy and magnetic susceptibility are in good agreement with CEP sets derived from the modified point charge model and the ab initio method. Theoretical calculations lead to overestimating the A/sub 4//sup 4/ and lowering the A/sub 2//sup 0/ values in comparison to those found in the experiments. The discrepancies are, however, within an accuracy of calculations. A large similar reduction of expectation values of the magnetic moment operator for the eigenvectors of lowest CF levels (17.8%), determined from magnetic susceptibility, cannot be attributed to the overlap and covalency effects only. The detailed calculations have shown that the latter effects provide about 4.6% reduction of respective matrix elements, and the applied J-J mixing procedure increases this factor up to 6.5%. Since similar reduction factor has already been observed in a number of different uranium compounds, as in UCl/sub 4/ it seems to be likely that this feature is involved in the intrinsic properties of the U/sup 4 +/ ion. The authors endeavor to explain this effect in terms of configuration interaction mechanisms.

Relative work function of clean molybdenum single-crystal planes determined by field emission microscopy

International Nuclear Information System (INIS)

Bergeret, G.; Abon, M.; Tardy, B.; Teichner, S.J.

1974-01-01

A probe-hole field emission microscope was used to determine the work function of clean molybdenum single crystal planes relative to the average work function of the field emitter, assumed to be 4.20 eV. Results are compared with other available data

Crystal field and site deformation in spinels and pentavalent uranium compounds

International Nuclear Information System (INIS)

Drifford, M.; Soulie, E.

1976-01-01

Magnesium aluminates with different alumina contents have the spinel structure. The optical absorption spectra of doped spinel compounds (Cr 3+ , Ni 2+ , Co 2+ ) or E.S.R. spectra (Cr 3+ , Mn 2+ ) are used for the investigation of the position of the doping materials and the deformation of the crystal sites, and give information on the structural disorders. The local structural information given by the doping materials are compared with the mean structure parameters obtained from X-ray diffraction. The optical absorption spectrum and the principal components of the g tensor for UF 6 Cs and the thermal variation in the magnetic susceptibility for UF 8 Cs 3 and UF 8 (NH 4 ) are used for determining the parameters of the electron Hamiltonian for the f 1 configuration. A rather significant covalent aspect is evidenced for UF 6 Cs, in the framework of the model of Eisenstein and Pryce, this property being weaker for the other two complex compounds. The three parameters giving the crystal field at a deformed cubic site with Dsub(3d) symmetry in the Newman superposition model are noticeably weaker for the 8-coordination than for the 6-coordination. As for UF 8 Cs 3 and UF 8 (NH 4 ) 3 a calculation predicts an electronic levels with a very low excitation, at about 110 and 70cm -1 respectively [fr

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

KAUST Repository

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

2015-01-01

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

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

KAUST Repository

Vignal, P.

2015-10-01

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

Wave dispersion relation of two-dimensional plasma crystals in a magnetic field

International Nuclear Information System (INIS)

Uchida, G.; Konopka, U.; Morfill, G.

2004-01-01

The wave dispersion relation in a two-dimensional strongly coupled plasma crystal is studied by theoretical analysis and molecular dynamics simulation taking into account a constant magnetic field parallel to the crystal normal. The expression for the wave dispersion relation clearly shows that high-frequency and low-frequency branches exist as a result of the coupling of longitudinal and transverse modes due to the Lorenz force acting on the dust particles. The high-frequency and the low-frequency branches are found to belong to right-hand and left-hand polarized waves, respectively

Simultaneous negative refraction and focusing of fundamental frequency and second-harmonic fields by two-dimensional photonic crystals

Energy Technology Data Exchange (ETDEWEB)

Zhang, Jun [School of Physics, Beijing Institute of Technology and Beijing Key Laboratory of Fractional Signals and Systems, Beijing 100081 (China); College of Physics and Electronic Engineering, Henan Normal University, 453007 Xinxiang, Henan (China); Zhang, Xiangdong, E-mail: zhangxd@bit.edu.cn [School of Physics, Beijing Institute of Technology and Beijing Key Laboratory of Fractional Signals and Systems, Beijing 100081 (China)

2015-09-28

Simultaneous negative refraction for both the fundamental frequency (FF) and second-harmonic (SH) fields in two-dimensional nonlinear photonic crystals have been found through both the physical analysis and exact numerical simulation. By combining such a property with the phase-matching condition and strong second-order susceptibility, we have designed a SH lens to realize focusing for both the FF and SH fields at the same time. Good-quality non-near field images for both FF and SH fields have been observed. The physical mechanism for such SH focusing phenomena has been disclosed, which is different from the backward SH generation as has been pointed out in the previous investigations. In addition, the effect of absorption losses on the phenomena has also been discussed. Thus, potential applications of these phenomena to biphotonic microscopy technique are anticipated.

Distribution of the solute in the lithium niobate crystal grown by the Stepanov method in a periodically changing external electric field

International Nuclear Information System (INIS)

Zhdanov, A.; Nikolayeva, L.; Red'kin, B.

2000-01-01

The Iithium niobate crystals with the periodic domain structure are characterised by the capacity for the light frequency adoption of the laser light. Consequently, they are promising for the development of compact light sources. There are several methods of producing periodic ferroelectric domain structures of the lithium niobate crystals in the growth process. It is evident that the main method of production of the periodic structures in the lithium niobate is the Stepanov method. The development of the mathematical model of the variation of the concentration of the alloying solute with the periodic variation of the conditions of growth of the crystal in the growth of the crystal by the Stepanov methods in the conditions of periodic changes of the drawing rate of the crystal V and the temperature of the thermal junction T have been investigated elsewhere. The formation of the domain structure is also possible in the case of the periodic variation of the electric field, during the supply of the alternating voltage between the shaper and the seed. In this work, we proposed mathematical model discounting the process of formation of the domain structure in the alternating electric field during the growth of the lithium niobate crystal by the Stepanov method. In the mathematical modelling we obtain the numerical solutions of the unidimensional nonstationary problem of the Stepanov type, the diffusion equation for concentration, and the Laplace capillary equation. The proposed mathematical model is at the present and the most complete and accurate description of the variation of the concentration of the solute in the growing crystal. The semi-discrete Galerkin method was used for the equations

Channeling and related crystal effects

International Nuclear Information System (INIS)

Uggerhoj, Erik

1995-01-01

Channeling, the interaction of particles with oriented crystals, has been applied in a wide variety of scientific and technological areas. A workshop at Aarhus, Denmark, this summer highlighted progress and future directions. Radiation emission has been explored and linked to coherent bremsstrahlung and other oriented crystal radiations. Dramatic effects have been found for ultra-relativistic electrons with Lorentz factors of 105 6. Single crystals are unique for investigations of quantum electrodynamics in strong external fields because probabilities for processes in axial/ planar fields are determined by the magnitude of these fields in the particle rest frame. Erik Uggerhoj of Aarhus reported on an extensive series of experiments concerning radiation emission, pair production, and shower formation carried out at CERN by the NA43 collaboration. As Vladimir Baier of Novosibirsk and Yuri Kononets of Kurchatov noted, theoretical treatment of these interconnected radiation distributions is challenging and much work needs to be done. In general, the agreement with the CERN experiments is good, but many areas like polarization phenomena and particle production need investigation. Prominent among high energy applications is extraction from accelerators. At the workshop, Alexei Asseev reported on beam extraction using a bent crystal at Serpukhov. Konrad Elsener and Jukka Klem reviewed recent CERN SPS studies driven by the possibility of using crystals for extraction of LHC beams. Thornton Murphy of Fermilab announced a step in that direction, with a demonstration this summer of extraction from the Tevatron at 900 GeV. Bent crystal channeling is also used for handling extracted high energy beams. Niels Doble presented a beautiful example of a beam for the CERN NA48 CP-violation experiment. Yuri Chesnokov reported that beams had been deflected through angles up to 150 milliradians at Serpukhov

Controllable optical bistability in photonic-crystal one-atom laser

International Nuclear Information System (INIS)

Guo Xiaoyong; Lue Shuchen

2009-01-01

We investigate the property of optical bistability in a photonic-crystal one-atom laser when nonlinear microcavity is present. The physical system consists of a coherently driven two-level light emitter strongly coupled to a high-quality microcavity which is embedded within a photonic crystal and another coherent probing field which has incident into the microcavity. In our case, the microcavity is fabricated by nonlinear material and placed as an impurity in photonic crystal. This study reveals that such a system can exhibit optical bistability. The dependence of threshold value and hysteresis loop on the photonic band gap of the photonic crystal, driving field Rabi frequency and dephasing processes, are studied. Our results clearly illustrate the ability to control optical bistability through suitable photonic-crystal architectures and external coherent driving field, and this study suggests that in a photonic-crystal nonlinear microcavity, the one-atom laser acts as an effective controllable bistable device in the design of all-light digital computing systems in the near future.

Meshed doped silicon photonic crystals for manipulating near-field thermal radiation

Science.gov (United States)

Elzouka, Mahmoud; Ndao, Sidy

2018-01-01

The ability to control and manipulate heat flow is of great interest to thermal management and thermal logic and memory devices. Particularly, near-field thermal radiation presents a unique opportunity to enhance heat transfer while being able to tailor its characteristics (e.g., spectral selectivity). However, achieving nanometric gaps, necessary for near-field, has been and remains a formidable challenge. Here, we demonstrate significant enhancement of the near-field heat transfer through meshed photonic crystals with separation gaps above 0.5 μm. Using a first-principle method, we investigate the meshed photonic structures numerically via finite-difference time-domain technique (FDTD) along with the Langevin approach. Results for doped-silicon meshed structures show significant enhancement in heat transfer; 26 times over the non-meshed corrugated structures. This is especially important for thermal management and thermal rectification applications. The results also support the premise that thermal radiation at micro scale is a bulk (rather than a surface) phenomenon; the increase in heat transfer between two meshed-corrugated surfaces compared to the flat surface (8.2) wasn't proportional to the increase in the surface area due to the corrugations (9). Results were further validated through good agreements between the resonant modes predicted from the dispersion relation (calculated using a finite-element method), and transmission factors (calculated from FDTD).

Reorientation of single-wall carbon nanotubes in negative anisotropy liquid crystals by an electric field

Directory of Open Access Journals (Sweden)

Amanda García-García

2016-06-01

Full Text Available Single-wall carbon nanotubes (SWCNT are anisotropic nanoparticles that can cause modifications in the electrical and electro-optical properties of liquid crystals. The control of the SWCNT concentration, distribution and reorientation in such self-organized fluids allows for the possibility of tuning the liquid crystal properties. The alignment and reorientation of CNTs are studied in a system where the liquid crystal orientation effect has been isolated. Complementary studies including Raman spectroscopy, microscopic inspection and impedance studies were carried out. The results reveal an ordered reorientation of the CNTs induced by an electric field, which does not alter the orientation of the liquid crystal molecules. Moreover, impedance spectroscopy suggests a nonnegligible anchoring force between the CNTs and the liquid crystal molecules.

Flood field uniformity testing - effects of crystal hydration

International Nuclear Information System (INIS)

Dimcheva, M.; Sergieva, S.; Doldurova, M.; Jovanovska, A.

2012-01-01

The most basic and sensitive routine quality control (QC) of gamma camera is that of intrinsic flood-field uniformity. The routine QC test must be assessed daily and any nonuniformity must be eliminated before patient testing to eliminate artifacts and false positive or false-negative patient results. The purpose of this study was to compare uniformity analysis results for scintillation crystal hydration with symmetric and asymmetric energy window on the Siemens Symbia T2 SPECTCT camera. Integral and differential uniformity analysis was performed by placing a point source 99m Tc in front of the detector with removed collimator to measure the effect of correction matrix, a count rate and activity volume on intrinsic uniformity. A 15% energy window set symmetrically over the 99m Tc photo peak is equivalent to 140±10% keV or a window spanning 126-154 keV. The results, received from Detector 2 gave the following uniformity parameter values: Both asymmetric energy window images show clearly multiple focal spots due to crystal hydration: discrete hot spots in the asymmetric low window image and discrete cold spots in the asymmetric high window image. The above results are not seen yet on the symmetric window image. We had replaced Detector 2 in order to avoid spots become visible in flood images obtained with the clinical energy window. The uniformity of a gamma camera is maybe the most important parameter that expresses the quality of the camera's performance. Non uniform areas in the field of view can result in misdiagnosed patients and low quality of clinical services. (authors)

Pressure-induced effects on the spectroscopic properties of Nd{sup 3+} in MgO:LiNbO{sub 3} single crystal. A crystal field approach

Energy Technology Data Exchange (ETDEWEB)

Muñoz Santiuste, J.E., E-mail: jems@fis.uc3m.es [Departamento de Física, Escuela Politécnica Superior, Universidad Carlos III de Madrid, Avenida de la Universidad 30, E-28913 Leganés, Madrid (Spain); MALTA Consolider Team (Spain); Lavín, V.; Rodríguez-Mendoza, U.R. [MALTA Consolider Team (Spain); Departamento de Física, INM and IUdEA, Universidad de La Laguna, Apdo. 456. E-38200 San Cristóbal de La Laguna, Santa Cruz de Tenerife (Spain); Tardio, M.M.; Ramírez-Jiménez, R. [Departamento de Física, Escuela Politécnica Superior, Universidad Carlos III de Madrid, Avenida de la Universidad 30, E-28913 Leganés, Madrid (Spain)

2017-04-15

The effects of pressure on the Nd{sup 3+}-doped MgO:LiNbO{sub 3} single crystal have been studied by luminescence spectroscopy at low temperature and high pressures from ambient conditions up to 33 GPa. Specifically, the pressure-induced evolution of the emission spectra, corresponding to the {sup 4}F{sub 3/2}→{sup 4}I{sub 9/2},{sup 4}I{sub 11/2} transitions, and the excitation spectra, corresponding to the {sup 4}I{sub 9/2}→{sup 4}F{sub 5/2}+{sup 2}H{sub 9/2}, and {sup 4}I{sub 9/2}→{sup 4}F{sub 7/2}+{sup 4}S{sub 3/2} transitions, show a gradual red-shift that follows a linear pressure dependence and a decrease in the intensity of the spectra with increasing pressure. The initial effect of increasing pressure on the MgO:LiNbO{sub 3} crystal is the modification of the relative amount of the several centers in the sample. At pressures around 20 GPa the characteristic multicenter Nd{sup 3+} structure eventually disappears indicating that all the centers have very similar environments near this pressure. At higher pressures, observed changes seem to have a different origin. The evolution of Nd{sup 3+} luminescence is studied in the frame of crystal-field theory in order to evaluate its capability of monitoring the pressure-induced structural changes. Crystal-field analysis, under approximated C{sub 3v} symmetry, shows a smooth increase of the overall crystal-field strength on the luminescent ion, which can be related to the volume reduction as pressure increases. Crystal-field parameters also show a general monotonic behavior with pressure that indicates a structural modification of the local structure that, maintaining the trigonal symmetry around the impurity ion, evolves towards a lower axial character. No evidences of a phase transition have been observed in the studied pressure range.

Bifurcation properties of nematic liquid crystals exposed to an electric field: Switchability, bistability, and multistability

KAUST Repository

Cummings, L. J.

2013-07-01

Bistable liquid crystal displays (LCDs) offer the potential for considerable power savings compared with conventional (monostable) LCDs. The existence of two (or more) stable field-free states that are optically distinct means that contrast can be maintained in a display without an externally applied electric field. An applied field is required only to switch the device from one state to the other, as needed. In this paper we examine the basic physical principles involved in generating multiple stable states and the switching between these states. We consider a two-dimensional geometry in which variable surface anchoring conditions are used to control the steady-state solutions and explore how different anchoring conditions can influence the number and type of solutions and whether or not switching is possible between the states. We find a wide range of possible behaviors, including bistability, tristability, and tetrastability, and investigate how the solution landscape changes as the boundary conditions are tuned. © 2013 American Physical Society.

Low-field dc magnetization investigations in a Bi2Sr2CaCu2O8 single crystal: observation of a magnetic phase transition at the vortex melting line

International Nuclear Information System (INIS)

Revaz, B.; Triscone, G.; Fabrega, L.; Junod, A.; Muller, J.

1996-01-01

The mixed-state magnetization M(H parallel c, T) of a Bi-2212 single crystal has been investigated with high resolution using a SQUID magnetometer. In the high-temperature region (50 K c = 80.2 K), we found that the slope ∂M/∂H vertical stroke T vs. H shows a positive step at H trans (T) ∼ H 0 x (1 - T/T c ) n with H 0 = 2340 Oe and n = 1.28. This observation is compatible with a first-order phase transition with a distribution of internal fields, and is attributed to the melting of the 3D vortex lattice. The estimated entropy jump is 1 k B /vortex/layer CuO. However, when T is lower than 50 K, we observe radical changes in M(H); the 3D melting line divides into a decoupling line at a temperature-independent field and the onset of the irreversibility. (orig.)

Automation of electron channeling investigations into crystals on the experimental stand

International Nuclear Information System (INIS)

Kolodin, L.G.; Kupchishin, A.A.; Bunegin, V.V.

1995-01-01

Automated control system of technological processes of the experimental stand is proposed for electron channeling investigation into crystals. The system is proposed for stand control automation and registration of corresponding radiations. There are four main parts in stand complex: Ehlu-6 type electron accelerator; forming and transporting system of electron beams; goniometer system; radiation detection system. Purposes of the automated system creation are following: - improvement of EhLU accelerator operating stability by of automation stabilization of its parameters; - quality improvement of electron beam monochromatization by of automation of monochromator electromagnet control; - simplification of crystal adjustment process relatively of primary electron beam and crystal transporting to the position by of goniometer automation control; - providing of automating collection and processing of data of physical experiments

Lattice distortion under an electric field in BaTiO3 piezoelectric single crystal

International Nuclear Information System (INIS)

Tazaki, Ryoko; Fu Desheng; Daimon, Masahiro; Koshihara, Shin-ya; Itoh, Mitsuru

2009-01-01

Lattice distortions under an electric field in a mono-domain of BaTiO 3 ferroelectric crystal have been detected with synchrotron x-ray radiation. The variation of the lattice constant with an electric field observed with high angle diffraction shows a linear response nature of the piezoelectric effect. When an electric field is applied along the spontaneous polarization direction, the c-axis of the lattice elongates and the a-axis of the lattice shrinks at a rate of d 33 = 149 ± 54 pm V -1 and d 31 = -82 ± 61 pm V -1 ; these represent the longitudinal and transverse piezoelectric coefficients of BaTiO 3 crystal, respectively. These results give an insight into the intrinsic piezoelectric response on the lattice scale in BaTiO 3 that has been widely used to explore high performance lead-free piezoelectric alloys.

Pulsed zero field NMR of solids and liquid crystals

International Nuclear Information System (INIS)

Thayer, A.M.

1987-02-01

This work describes the development and applications to solids and liquid crystals of zero field nuclear magnetic resonance (NMR) experiments with pulsed dc magnetic fields. Zero field NMR experiments are one approach for obtaining high resolution spectra of amorphous and polycrystalline materials which normally (in high field) display broad featureless spectra. The behavior of the spin system can be coherently manipulated and probed in zero field with dc magnetic field pulses which are employed in a similar manner to radiofrequency pulses in high field NMR experiments. Nematic phases of liquid crystalline systems are studied in order to observe the effects of the removal of an applied magnetic field on sample alignment and molecular order parameters. In nematic phases with positive and negative magnetic susceptibility anisotropies, a comparison between the forms of the spin interactions in high and low fields is made. High resolution zero field NMR spectra of unaligned smectic samples are also obtained and reflect the symmetry of the liquid crystalline environment. These experiments are a sensitive measure of the motionally induced asymmetry in biaxial phases. Homonuclear and heteronuclear solute spin systems are compared in the nematic and smectic phases. Nonaxially symmetric dipolar couplings are reported for several systems. The effects of residual fields in the presence of a non-zero asymmetry parameter are discussed theoretically and presented experimentally. Computer programs for simulations of these and other experimental results are also reported. 179 refs., 75 figs

Magnetic properties and crystal field effects in TlLnX2 compounds (X=S, Se, Te)

International Nuclear Information System (INIS)

Duczmal, M.; Pawlak, L.

1997-01-01

Ternary thallium lanthanide chalcogenides TlLnX 2 (X=S, Se or Te) crystallize in the α-NaFeO 2 type of structure (R anti 3m). Each kind of the metal ions, surrounded by the distorted chalcogenide octahedra, forms separate layers. The TlX 6 octahedra are strongly elongated and the LnX 6 octahedra slightly shrunk along the threefold axis. The deformations of the coordination polyhedra and the cell volumes change regularly with the lanthanide ionic radii. The difference between the experimental and the calculated M-X distances increases on going from sulphides to tellurides, as a result of the growing covalent character of the bonds. The crystal field parameters were estimated from the high field magnetization (0-14 T) assuming trigonal distortion of the octahedral symmetry of LnX 6 polyhedra. The second-order crystal field parameters were found to correlate with the deformation of the lanthanide ions' environments. No magnetic transition was observed down to 4.2 K. (orig.)

Optical Investigation of Nanoconfined Crystal Growth

Science.gov (United States)

Kohler, F.; Dysthe, D. K.

2015-12-01

Crystals growing in a confined space exert forces on their surroundings. This crystallization force causes deformation of solids and is therefore particularly relevant for the comprehension of geological processes such as replacement and weathering [1]. In addition, these forces are relevant for the understanding of damages in porous building materials caused by crystallization, which is of great economical importance and fundamental for methods that can help to preserve our cultural heritage [2,3]. However, the exact behavior of the growth and the dissolution process in close contact to an interface are still not known in detail. The crystallization, the dissolution and the transport of material is mediated by a nanoconfined water film. We observe brittle NaClO3 crystals growing against a glass surface by optical methods such as reflective interference contrast microscopy (RICM) [4]. In order to carefully control the supersaturation of the fluid close to the crystal interface, a temperature regulated microfluidic system is used (fig. A). The interference based precision of RICM enables to resolve distance variations down to the sub nanometer range without any unwanted disturbances by the measuring method. The combination of RICM with a sensitive camera allows us to observe phenomena such as periodic, wavelike growth of atomic layers. These waves are particularly obvious when observing the difference between two consecutive images (fig. B). In contradiction to some theoretical results, which predict a smooth interface, some recent experiments have shown that the nanoconfined growth surfaces are rough. In combination with theoretical studies and Kinetic Monte Carlo simulations we aim at providing more realistic descriptions of surface energies and energy barriers which are able to explain the discrepancies between experiments and current theory. References:[1] Maliva, Diagenetic replacement controlled by force of crystallization, Geology, August (1988), v. 16 [2] G

Crystal Deflectors for High Energy Ion Beams

CERN Document Server

Scandale, W

2013-01-01

The motion of charged particles entering a crystal at small angles with respect to a crystalline plane is strongly influenced by the average electric field of the ordered nuclei. For sufficiently small angles the particles can be captured in channeling states, thus performing quasi-harmonic oscillations in the potential well between the crystal planes. Channeled particles in a bent crystal are deflected along the bent planes of the crystal. This provides a powerful method to steer and control particle trajectories that has been investigated and occasionally exploited for some decades already.

Magneto-optical properties of biogenic photonic crystals in algae

International Nuclear Information System (INIS)

Iwasaka, M.; Mizukawa, Y.

2014-01-01

In the present study, the effects of strong static magnetic fields on the structural colors of the cell covering crystals on a microalgae, coccolithophore, were investigated. The coccolithophore, Emiliania huxleyi, generates a precise assembly of calcite crystals called coccoliths by biomineralization. The coccoliths attached to the cells exhibited structural colors under side light illumination, and the colors underwent dynamic transitions when the magnetic fields were changed between 0 T and 5 T, probably due to diamagnetically induced changes of their inclination under the magnetic fields. The specific light-scattering property of individual coccoliths separated from the cells was also observed. Light scattering from a condensed suspension of coccoliths drastically decreased when magnetic fields of more than 4 T were applied parallel to the direction of observation. The magnetically aligned cell-covering crystals of the coccolithophores exhibited the properties of both a photonic crystal and a minimum micromirror

Symmetry-adaptation and selection rules for effective crystal field Hamiltonians

International Nuclear Information System (INIS)

Tuszynski, J.A.

1986-01-01

The intention of this paper is to systematically derive an effective Hamiltonian in the presence of crystal fields in such a way as to incorporate relativistic effects and higher order perturbation corrections including configuration mixing. This Hamiltonian will then be conveniently represented as a symmetry-adapted series of one- and two-body double tensor operators whose matrix elements will be analyzed for selection rules. 16 references, 4 tables

Double hydrogen bonded ferroelectric liquid crystals: A study of field induced transition (FiT)

Science.gov (United States)

Vijayakumar, V. N.; Madhu Mohan, M. L. N.

2009-12-01

A novel series of chiral hydrogen bonded liquid crystals have been isolated. Hydrogen bond was formed between chiral nonmesogen ingredient levo tartaric acid and mesogenic p-n-alkoxybenzoic acids. Phase diagram was constructed from the transition temperatures obtained by DSC and polarizing optical microscopic (POM) studies. Thermal and electrical properties exhibited by three complexes namely LTA+8BA, LTA+7BA and LTA+5BA were discussed. Salient feature of the present work was the observation of a reentrant smectic ordering in LTA+8BA complex designated as C r∗ phase. This reentrant phenomenon was confirmed by DSC thermograms, optical textures of POM and temperature variation of capacitance and dielectric loss studies. Tilt angle was measured in smectic C ∗ and reentrant smectic C r∗ phases. Another interesting feature of the present investigation was the observation of a field induced transition (FiT) in the LTA+ nBA homologous series. Three threshold field values were noticed which give rise to two new phases (E 1 and E 2) induced by electric field and on further enhancement of the applied field the mesogen behaves like an optical shutter. FiT is reversible in the sense that when applied field is removed the original texture was restored.

Crystallization kinetics and spectroscopic investigations on Tb3+ and Yb3+ codoped glass ceramics containing CaF2 nanocrystals

International Nuclear Information System (INIS)

Huang Lihui; Qin Guanshi; Arai, Yusuke; Jose, Rajan; Suzuki, Takenobu; Ohishi, Yasutake; Yamashita, Tatsuya; Akimoto, Yusuke

2007-01-01

Transparent Tb 3+ and Yb 3+ codoped oxyfluoride glass ceramics containing CaF 2 nanocrystals were prepared by melt quenching and subsequent heat treatment. Crystallization kinetics of CaF 2 nanocrystals was investigated by differential scanning calorimetric method. The average apparent activation energy E a of the crystallization was ∼498 kJ/mol. Moreover, the value of the Avrami exponent n was 1.01. These results suggest that the crystallization mechanism of CaF 2 is a diffusion controlled growth process of needles and plates of finite long dimensions. X-ray diffraction patterns and transmission electron microscopy image confirmed the CaF 2 nanocrystals in the glass ceramic. Ultraviolet (UV) and visible emission spectra of the as-made glass and the glass ceramic with an excitation of a 974 nm laser diode were recorded at room temperature. An intense UV emission at 381 nm was observed in the glass ceramic. The origin of the enhancement of the emission at 381 nm was investigated using spectroscopic technique and Judd-Ofelt analysis. The enhancement of the emission at 381 nm could be attributed to the change of the ligand field of Tb 3+ ions due to the incorporation of some Tb 3+ and Yb 3+ ions into CaF 2 nanocrystals in the glass ceramic

Investigation of self-frequency doubling crystals, yttrium calcium oxyborate (YCOB), doped with neodymium or ytterbium

Science.gov (United States)

Ye, Qing

1999-09-01

There is a need for low cost red, green, and blue (RGB) lasers for a number of commercial applications such as high-resolution laser printing, full color laser display. While semiconductor lasers still have both availability (green and blue) and beam quality (red) problems, nonlinear frequency conversion of diode-pumped solid state lasers are good alternatives. Among them, self- frequency doubling is an attractive approach because of its simpler design and lower cost. Unfortunately, few known crystals possess self-frequency doubling property. A newly discovered yttrium calcium oxyborate (YCOB) can fill in the role because it has adequate lasing and nonlinear frequency conversion efficiency. More importantly, YCOB crystal melts congruently so that high quality, large size single crystals can be grown using conventional Czochralski melt pulling technique. The thermal mechanical properties, linear and nonlinear optical properties of YCOB, laser properties of Nd:YCOB and Yb:YCOB crystals were investigated. Based on the calculated second harmonic phase matching angles, Nd:YCOB laser rods were fabricated. Self-frequency doubled green emission with 62 mW output power and red emission with 16 mW output power were successfully demonstrated using diode-pumping. It is the first time to achieve the continuous wave (cw) red lasing in Nd doped rare-earth calcium oxyborates. Rare-earth ions doping in YCOB crystal can not only achieve lasing, but also affect the physical and chemical properties of the crystal. The stability field of YCOB is reduced in proportion to both the ionic size differences from yttrium and doping concentrations of the rare-earth ions. The doping also changes the linear and nonlinear optical properties of the material. For example, the second harmonic conversion efficiency of 20% Yb doped YCOB was enhanced by more than 15% compared to undoped YCOB. The absorption cutoff edge of 20% Yb:YCOB was red- shift by more than 60 nm. Similar effects were observed in

The Juno Magnetic Field Investigation

DEFF Research Database (Denmark)

Connerney, J. E. P.; Benn, Mathias; Bjarnø, Jonas Bækby

2017-01-01

The Juno Magnetic Field investigation (MAG) characterizes Jupiter’s planetary magnetic field and magnetosphere, providing the first globally distributed and proximate measurements of the magnetic field of Jupiter. The magnetic field instrumentation consists of two independent magnetometer sensor ...

Spectroscopy of Charge Carriers and Traps in Field-Doped Single Crystal Organic Semiconductors

Energy Technology Data Exchange (ETDEWEB)

Zhu, Xiaoyang [Columbia Univ., New York, NY (United States); Frisbie, Daniel [Univ. of Minnesota, Minneapolis, MN (United States)

2017-03-31

The proposed research aims to achieve quantitative, molecular level understanding of charge carriers and traps in field-doped crystalline organic semiconductors via in situ linear and nonlinear optical spectroscopy, in conjunction with transport measurements and molecular/crystal engineering.

Gigantic magnetoelectric effect caused by magnetic-field-induced canted antiferromagnetic-paramagnetic transition in quasi-two-dimensional Ca2CoSi2O7 crystal

Science.gov (United States)

Akaki, M.; Tozawa, J.; Akahoshi, D.; Kuwahara, H.

2009-05-01

We have investigated the magnetic and dielectric properties of Ca2CoSi2O7 crystal. The dielectricity and magnetism of Ca2CoSi2O7 are strongly coupled below a canted antiferromagnetic transition temperature (TN). Magnetic fields induce electric polarization below TN. Interestingly, the magnetic-field-induced electric polarization is detected even without poling electric fields. Below TN, a canted antiferromagnetic-paramagnetic transition is induced by magnetic fields. The large magnetocapacitance is observed around TN. The origin of the large magnetocapacitance is due to the magnetic-field-induced the canted antiferromagnetic-paramagnetic transition.

Optical switching in nonlinear photonic crystals lightly doped with nanostructures

Energy Technology Data Exchange (ETDEWEB)

Singh, Mahi R [Department of Physics and Astronomy, University of Western Ontario, London, ON N6A 3K7 (Canada); Lipson, R H [Department of Chemistry, University of Western Ontario, London, ON N6A 5B7 (Canada)

2008-01-14

A possible switching mechanism has been investigated for nonlinear photonic crystals doped with an ensemble of non-interacting three-level nanoparticles. In this scheme, an intense pump laser field is used to change the refractive index of the nonlinear photonic crystal while a weaker probe field monitors an absorption transition in the nanoparticles. In the absence of the strong laser field the system transmits the probe field when the resonance energy of the nanoparticles lies near the edge of the photonic band gap due to strong coupling between the photonic crystal and the nanoparticles. However, upon application of an intense pump laser field the system becomes absorbing due to a band edge frequency shift that arises due to a nonlinear Kerr effect which changes the refractive index of the crystal. It is anticipated that the optical switching mechanism described in this work can be used to make new types of photonic devices.

Crystal field parameters with Wannier functions: application to rare-earth aluminates

Czech Academy of Sciences Publication Activity Database

Novák, Pavel; Knížek, Karel; Kuneš, Jan

2013-01-01

Roč. 87, č. 20 (2013), "205139-1"-"205139-7" ISSN 1098-0121 R&D Projects: GA ČR(CZ) GAP204/11/0713 Institutional support: RVO:68378271 Keywords : crystal-field * rare earths * Wannier functions Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.664, year: 2013 http://link.aps.org/doi/10.1103/PhysRevB.87.205139

Crystal chemistry of nephelines from ijolites and nepheline-rich pegmatites: influence of composition and genesis on the crystal structure investigated by X-ray diffraction

DEFF Research Database (Denmark)

Vulić, Predrag; Balić-Žunić, Tonči; Belmonte, Louise Josefine

2011-01-01

Ten nepheline single crystals from five different localities representing rocks from nepheline-syenite pegmatites to urtite, ijolite and cancrinite-ijolite were investigated chemically and structurally. The chemical compositions were determined by electron microprobe, whereas the crystal structur...

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

Directory of Open Access Journals (Sweden)

Jan Kubicek

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

Near-field-optical-microscopy studies of micro-modifications caused by femtosecond laser irradiation in lithium niobate crystals

International Nuclear Information System (INIS)

Lamela, J.; Jaque, D.; Rodenas, A.; Jaque, F.; Torchia, G.A.; Vazquez, J.R.; Mendez, C.; Roso, L.

2008-01-01

Near-field-optical-microscopy has been used to study the micro-modifications caused by femtosecond laser pulses focused at the surface and in the volume of lithium niobate crystals. We have found experimental evidence of the existence, close to femtosecond ablation craters, of periodic modifications in the surface reflectivity. In addition, the potential application of near-field-optical microscopy for the spatial location of permanent modifications caused by femtosecond pulses focused inside lithium niobate crystals has been also demonstrated. (orig.)

Synthesis, optical, experimental and theoretical investigation of third order nonlinear optical properties of 8-hydroxyquinolinium 2-carboxy-6-nitrophthalate monohydrate single crystal

Science.gov (United States)

Bharathi, M. Divya; Bhuvaneswari, R.; Srividya, J.; Vinitha, G.; Prithiviraajan, R. N.; Anbalagan, G.

2018-02-01

Single crystals of 8-hydroxyquinolinium 2-carboxy-6-nitrophthalate monohydrate (8HQNP) were obtained from slow evaporation solution growth method using methanol-water (1:1) as a solvent. Powder X-ray diffraction was utilized to compute the unit cell parameters and dislocation density of 8HQNP crystal. The crystalline perfection of the as-grown crystal was investigated by high-resolution X-ray diffraction at room temperature. The molecular structure was analyzed by identifying the functional groups from FT-IR and FT-Raman spectra. The cut-off wavelength and the corresponding optical band gap obtained from an optical spectrum were 376 nm and 3.29 eV respectively. The dispersion nature of refractive index was investigated by the single-oscillator Wemple and Di-Domenico model. Red emission was observed in the photoluminescence spectrum when excited with 376 nm. The low birefringence and high laser damage threshold (8.538 GW/cm2) values dictate the suitability of the crystal for optical devices. Z-scan studies revealed the third order nonlinear absorption coefficient (β) and refractive index (n2) of the 8HQNP crystal. The theoretical value of third order nonlinear susceptibility obtained from density function theory is good accordance with the experimental value. The frontier molecular orbital energy gap decreases with increasing external electric field in different directions which attributed to the enhancement of the second hyperpolarizability. The grown title crystal is thermally stable up to 102 °C which was identified using thermal analysis. Mechanical strength of 8HQNP was estimated by using Vicker's microhardness studies.

Growth and surface topography of WSe_2 single crystal

International Nuclear Information System (INIS)

Dixit, Vijay; Vyas, Chirag; Pataniya, Pratik; Jani, Mihir; Pathak, Vishal; Patel, Abhishek; Pathak, V. M.; Patel, K. D.; Solanki, G. K.

2016-01-01

Tungsten Di-Selenide belongs to the family of TMDCs showing their potential applications in the fields of Optoelectronics and PEC solar cells. Here in the present investigation single crystals of WSe_2 were grown by Direct Vapour Transport Technique in a dual zone furnace having temperature difference of 50 K between the two zones. These single crystals were characterized by EDAX which confirms the stiochiometry of the grown crystals. Surface topography of the crystal was studied by optical micrograph showing the left handed spirals on the surface of WSe_2 crystals. Single crystalline nature of the crystals was confirmed by SAED.

Crystal field levels of tetravalent actinide ions in actinide dioxides UO2, NpO2 and PuO2

International Nuclear Information System (INIS)

Krupa, J.C.; Gajek, Z.

1991-01-01

Crystal-field parameters resulting from analysis of optical spectroscopy and neutron diffraction data recorded on UO 2 and NpO 2 as well as ab-initio calculated parameters were used to calculate the crystal-field eigenfunctions and eigenvalues for the J ground-state manifold of U 4+ , Np 4+ and Pu 4+ in UO 2 , NpO 2 and PuO 2

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

Energy Technology Data Exchange (ETDEWEB)

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

2017-03-15

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

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

Directory of Open Access Journals (Sweden)

Dongjia Cao

2017-12-01

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

Magnetic islands modelled by a phase-field-crystal approach

Science.gov (United States)

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

2018-03-01

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

FDTD simulation for plasma photonic crystals

International Nuclear Information System (INIS)

Liu Shaobin; Zhu Chuanxi; Yuan Naichang

2005-01-01

Plasma photonic crystals are artificially periodic structures, which are composed of plasmas and dielectric structures (or vacuum). In this paper, the piecewise linear current density recursive convolution (PLCDRC) finite-difference time-domain (FDTD) method is applied to study the plasma photonic crystals and those containing defects. In time-domain, the electromagnetic (EM) propagation process and reflection/transmission electric field of Gauss pulses passing through the plasma photonic crystals are investigated. In frequency-domain, the reflection and transmission coefficients of the pulses through the two kinds of crystals are computed. The results illustrate that the plasma photonic crystals mostly reflect for the EM wave of frequencies less than the plasma frequency, and mostly transmit for EM wave of frequencies higher than the plasma frequency. In high frequency domain, the plasma photonic crystals have photonic band gaps, which is analogous to the conventional photonic crystals. (authors)

Theoretical investigation of zero field splitting parameter of Cr{sup 3+} doped diammonium hexaaqua magnesium sulfate

Energy Technology Data Exchange (ETDEWEB)

Kripal, Ram, E-mail: ram_kripal2001@rediffmail.com; Yadav, Awadhesh Kumar, E-mail: aky.physics@gmail.com

2015-01-01

The zero field splitting parameter D of Cr{sup 3+} doped diammonium hexaaqua magnesium sulfate (DHMS) are calculated with perturbation formula using crystal field (CF) parameters from superposition model. The theoretically calculated ZFS parameters for Cr{sup 3+} in DHMS single crystal are compared with the experimental value obtained by electron paramagnetic resonance (EPR). The theoretical ZFS parameter D is similar to that from experiment. The energy band positions of optical absorption spectra of Cr{sup 3+} doped DHMS single crystal are calculated with CFA package, which are in good match with experimental values.

Electrically Rotatable Polarizer Using One-Dimensional Photonic Crystal with a Nematic Liquid Crystal Defect Layer

Directory of Open Access Journals (Sweden)

Ryotaro Ozaki

2015-09-01

Full Text Available Polarization characteristics of defect mode peaks in a one-dimensional (1D photonic crystal (PC with a nematic liquid crystal (NLC defect layer have been investigated. Two different polarized defect modes are observed in a stop band. One group of defect modes is polarized along the long molecular axis of the NLC, whereas another group is polarized along its short axis. Polarizations of the defect modes can be tuned by field-induced in-plane reorientation of the NLC in the defect layer. The polarization properties of the 1D PC with the NLC defect layer is also investigated by the finite difference time domain (FDTD simulation.

X-ray diffraction from ideal mosaic crystals in external fields of certain types. I. Atomic displacements and the corresponding diffraction patterns

International Nuclear Information System (INIS)

Treushnikov, E.N.

2000-01-01

The problem of the theoretical description of X-ray diffraction from ideal mosaic crystals under the effect of various external fields has been formulated. Electric, magnetic, electromagnetic, and acoustic perturbations are considered. The atomic displacements in crystals under the effect of external fields and the types of the corresponding diffraction patterns are analyzed for various types of perturbations. The crystal classes are determined in which atomic displacements can be recorded experimentally. Diffraction patterns formed under the effect of various external factors are considered on the basis of the derived dependence of the structure factor on the characteristics of an applied force field

Crystal field influence on vibration spectra: anhydrous uranyl chloride and dihydroxodiuranyl chloride tetrahydrate

International Nuclear Information System (INIS)

Perrin, Andre; Caillet, Paul

1976-01-01

Vibrational spectra of anhydrous uranyl chloride UO 2 Cl 2 and so called basic uranyl chloride: dihydroxodiuranyl chloride tetrahydrate /UO 2 (OH) 2 UO 2 /Cl 2 (H 2 O) 4 are reported. Factor group method analysis leads for the first time to complete and comprehensive interpretation of their spectra. Two extreme examples of crystal field influence on vibrational spectra are pointed out: for UO 2 Cl 2 , one is unable to explain spectra without taking into account all the elements of primitive crystalline cell, whilst for dihydroxodiuranyl dichloride tetrahydrate the crystal packing has very little effect on vibrational spectra [fr

Near-field imaging of out-of-plane light scattering in photonic crystal slabs

DEFF Research Database (Denmark)

Volkov, Valentyn; Bozhevolnyi, Sergey; Taillaert, Dirk

2003-01-01

A collection scanning near-field optical microscope (SNOM) is used to image the propagating of light at telecommunication wavelengths (1520-1570 nm) along photonic crystal (PC) slabs, which combine slab waveguides with in-plane PCs consisting of one- and two-dimensional gratings. The efficient out...

Crystal field effect in the uranium compounds - model calculations for CsUF6, Cs2UCl6 and UCl4

International Nuclear Information System (INIS)

Gajek, Z.; Mulak, J.

1987-01-01

A practical crystal field model allowing one to estimate the crystal field parameters from first principles is presented and applied to the actinide compounds. The model results directly from the renormalization (and reduction) procedure of the true Schroedinger equation for an effective Hamiltonian acting on the 5f spin-orbitals only. In practice this approach becomes convergent with the ab initio model of Newman. Three ionic uranium compounds: CsUF 6 , Cs 2 UCl 6 and UCl 4 have served as examples of the application. The results obtained, particularly for the first two compounds, are in good agreement with the experimental data. The contributions of different mechanisms responsible for the crystal field effect are discussed. (author)

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

International Nuclear Information System (INIS)

Keskin, Mustafa; Canko, Osman; Deviren, Bayram

2007-01-01

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

All-electron ab initio calculations of YBa2Cu3O7 with self-consistence crystal field

Institute of Scientific and Technical Information of China (English)

刘洪霖; 陈念贻

1995-01-01

The quantum chemical calculations of cluster YBa2Cu3O7 considering all electrons have been per-formed by using the ab initio HF method with self-consistence crystal field.A Hartree-Fork surface potentialis proposed to make an asymmetric duster model possess a relatively symmetric potential field and to obtaina relatively symmetric electronic structure,electronic distributions,frontier orbitals,and bond order,etc.Thesuggestions that there exists a covalent bonding complex,[CuO2-O-CuO-O-Cu2]6,8-,in the cell unit ofthe crystal,and the cell units are connected with each other by ionic bonds along the c direction of the crys-tal lattice are offered based on the chemical bonding characteristics from the calculated results.The importantcontribution of the apical oxygen to superconductivities is emphasized as well.

Experimental investigation on dependency of interparticle distance in Coulomb crystal on various parameters

OpenAIRE

Adachi, Satoshi; Takayanagi, Masahiro; 足立　聡; 高柳　昌弘

2007-01-01

Dependency of interparticle distance in Coulomb crystal on various parameters such as plasma density, electron temperature, plasma potential and the Debye length are experimentally investigated. From the investigation, it is found that the interparticle distance is proportional to the Debye length.

Crystal fields in Sc, Y, and the heavy-rare-earth metals Tb, Dy, Ho, Er, Tm, and Lu

International Nuclear Information System (INIS)

Touborg, P.

1977-01-01

Experimental investigations of the magnetic poperties of dilute alloys of the rare-earth solutes Tb, Dy, Ho, Er, and Tm in the nonmagnetic hosts Lu, Y, and Sc have been performed. These measurements, which include and supplement earlier published results, have been analyzed and crystal-field parameters for all these 15 alloy systems deduced. The consistency of the parameters was confirmed by a variety of magnetic measurements, including neutron spectroscopy. Crystal-field parameters have also been derived for the ions in pure magnetic rare-earth metals and their alloys using the results for the dilute alloys supplemented with paramagnetic measurements up to high temperatures on the concentrated systems. Mean values and standard deviations of the higher-order crystal-field parameters for all Y and Lu alloys are B 40 /β = 6.8 +- 0.9 K, B 60 /γ = 13.6 +- 0.7 K, and B 66 /γ = (9.7 +- 1.1) B 60 /γ. These values: with the inaccuracies somewhat increased: are expected to be representative also for the magnetic rare-earth metals. For rare-earth ions in the Sc host the values B 40 /β = 9.9 +- 1.9 K, B 60 /γ = 19.8 +- 1.5 K, and B 66 /γ = (9.4 +- 0.9) B 60 /γ were deduced. B 20 /α is a host-sensitive parameter which has the average values of -102.7, -53.4, and 29.5 K for rare-earth ions in Y, Lu, and Sc, respectively. There is also evidence that this parameter varies with the solute. B 20 /α for ions in the pure magnetic rare-earth metals and their alloys shows a linear variation with c/a ratio characteristic of each ion. The results indicate a contribution from anisotropic exchange to the high-temperature paramagnetic anisotropy of approximately 20% for Tb, Dy, Ho, and Er, and approximately 10% for Tm

Experimental investigation of 4-dimensional superspace crystals

International Nuclear Information System (INIS)

Rasing, T.; Janner, A.

1983-09-01

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

Bistable switching in dual-frequency liquid crystals

Energy Technology Data Exchange (ETDEWEB)

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

2006-06-15

Various bistable switching modes in nematic liquid crystals with frequency inversion of the sign of dielectric anisotropy are revealed and investigated. Switching between states with different helicoidal distributions of the director field of a liquid crystal, as well as between uniform and helicoidal states, is realized by dual-frequency waveforms of a driving voltage. A distinctive feature of the dual-frequency switching is that the uniform planar distribution of the director field may correspond to a thermodynamically equilibrium state, and the chirality of an LC is not a necessary condition for switching to a helicoidal state.

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.

Electric-field-induced flow-aligning state in a nematic liquid crystal.

Science.gov (United States)

Fatriansyah, Jaka Fajar; Orihara, Hiroshi

2015-04-01

The response of shear stress to a weak ac electric field as a probe is measured in a nematic liquid crystal under shear flow and dc electric fields. Two states with different responses are clearly observed when the dc electric field is changed at a constant shear rate: the flow aligning and non-flow aligning states. The director lies in the shear plane in the flow aligning state and out of the plane in the non-flow aligning state. Through application of dc electric field, the non-flow aligning state can be changed to the flow aligning state. In the transition from the flow aligning state to the non-flow aligning state, it is found that the response increases and the relaxation time becomes longer. Here, the experimental results in the flow aligning state are discussed on the basis of the Ericksen-Leslie theory.

Effect of elastic deformation and the magnetic field on the electrical conductivity of p-Si crystals

Science.gov (United States)

Lys, R.; Pavlyk, B.; Didyk, R.; Shykorjak, J.; Karbovnyk, I.

2018-03-01

It is shown that at a deformation rate of 0.41 kg/min, the characteristic feature of the dependence of the surface resistance of the p-Si sample on the magnitude of its elastic deformation (R(σ)) is the reduction of the resistance during compression and unclamping. With the increase in the number of "compression-unclamping" cycles, the difference between the positions of the compression and unclamping curves decreases. The transformation of two types of magnetically sensitive defects occurs under the impact of a magnetic field on p-Si crystals. The defects are interrelated with two factors that cause the mutually opposite influence on the conductivity of the crystal. The first factor is that the action of the magnetic field decreases the activation energy of the dislocation holders, which leads to an increase in the electrical conductivity of the sample. The second factor is that due to the decay of molecules of oxygen-containing impurities in the magnetic field, the stable chemisorption bonds appear in the crystal that leads to a decrease in its conductivity. If the sample stays in the magnetic field for a long time, the one or the other mechanism predominates, causing a slow growth or decrease in resistance around a certain (averaged) value. Moreover, the frequency of such changes is greater in the deformed sample. The value of the surface resistance of p-Si samples does not change for a long time without the influence of the magnetic field.

Large piezoelectricity in electric-field modified single crystals of SrTiO3

Science.gov (United States)

Khanbabaee, B.; Mehner, E.; Richter, C.; Hanzig, J.; Zschornak, M.; Pietsch, U.; Stöcker, H.; Leisegang, T.; Meyer, D. C.; Gorfman, S.

2016-11-01

Defect engineering is an effective and powerful tool to control the existing material properties and produce completely new ones, which are symmetry-forbidden in a defect-free crystal. For example, the application of a static electric field to a single crystal of SrTiO3 forms a strained near-surface layer through the migration of oxygen vacancies out of the area beneath the positively charged electrode. While it was previously shown that this near-surface phase holds pyroelectric properties, which are symmetry-forbidden in centrosymmetric bulk SrTiO3, this paper reports that the same phase is strongly piezoelectric. We demonstrate the piezoelectricity of this phase through stroboscopic time-resolved X-ray diffraction under alternating electric field and show that the effective piezoelectric coefficient d33 ranges between 60 and 100 pC/N. The possible atomistic origins of the piezoelectric activity are discussed as a coupling between the electrostrictive effect and spontaneous polarization of this near-surface phase.

The Use Of Scanning Probe Microscopy To Investigate Crystal-Fluid Interfaces

International Nuclear Information System (INIS)

Orme, C A; Giocondi, J L

2007-01-01

Over the past decade there has been a natural drive to extend the investigation of dynamic surfaces in fluid environments to higher resolution characterization tools. Various aspects of solution crystal growth have been directly visualized for the first time. These include island nucleation and growth using transmission electron microscopy and scanning tunneling microscopy; elemental step motion using scanning probe microscopy; and the time evolution of interfacial atomic structure using various diffraction techniques. In this lecture we will discuss the use of one such in situ method, scanning probe microscopy, as a means of measuring surface dynamics during crystal growth and dissolution. We will cover both practical aspects of imaging such as environmental control, fluid flow, and electrochemical manipulation, as well as the types of physical measurements that can be made. Measurements such as step motion, critical lengths, nucleation density, and step fluctuations, will be put in context of the information they provide about mechanistic processes at surfaces using examples from metal and mineral crystal growth

Influence of Superconductivity on Crystal Electric Field Transitions in La1-xTbxAl2

DEFF Research Database (Denmark)

Feile, R.; Loewenhaupt, M.; Kjems, Jørgen

1981-01-01

Inelastic neutron scattering from the crystal electric field transitions in La1-xTbxAl2 single crystals has revealed an abrupt increase in the lifetimes of these transitions when the system becomes superconducting. An increase in the integrated intensities is also observed. The lifetime effects...... are quantitatively reproduced by existing theories, which take into account the reduced scattering of the conduction electrons by the magnetic ions due to the creation of the superconducting energy gap 2Δ(T)....

Re-investigation of the crystal structure of enstatite under high-pressure conditions

DEFF Research Database (Denmark)

Periotto, Benedetta; Balic Zunic, Tonci; Nestola, Fabrizio

2012-01-01

A synthetic single crystal of pure orthoenstatite (MgSiO3, space group Pbca) has been investigated at high pressure for structural determinations by in situ single-crystal X‑ray diffraction using a diamond-anvil cell. Ten complete intensity data collections were performed up to 9.36 GPa. This study...... with different compositions. The structural evolution determined in this work confirms the high-pressure evolution found previously for other orthopyroxenes and removes some ambiguities originating from the less accurate published data on the MgSiO3 structure at high pressure. The structural compression...

Phenomenological crystal-field model of the magnetic and thermal properties of the Kondo-like system UCu2Si2

Science.gov (United States)

Troć, R.; Gajek, Z.; Pikul, A.; Misiorek, H.; Colineau, E.; Wastin, F.

2013-07-01

The transport properties described previously [Troć , Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.85.224434 85, 224434 (2012)] as well as the magnetic and thermal properties presented in this paper, observed for single-crystalline UCu2Si2, are discussed by assuming a dual (localized-itinerant) scenario. The electronic states of the localized 5f electrons in UCu2Si2 are constructed using the effective Hamiltonian known for ionic systems, allowing us to treat the Coulomb, spin-orbital, and crystal-field interactions on equal footing. The space of parameters has been restricted in the initial steps with the aid of the angular overlap model approximation. The final crystal-field parameters, obtained from the refined steps of calculations, are relatively large (in absolute values), which we attribute to the hybridization characteristic of the metallic systems on the verge of localization. The proposed crystal-field model reproduces correctly with satisfactory accuracy the magnetic and thermal properties of UCu2Si2 in agreement also with the transport properties reported previously. Considerable crystal-field splitting of the ground multiplet of 2760 K is responsible for a large anisotropy in the magnetic behavior, observed in the whole temperature range explored.

Electric field influence on exciton absorption of Er doped and undoped InSe single crystals

International Nuclear Information System (INIS)

Guerbulak, B; Kundakci, M; Ates, A; Yildirim, M

2007-01-01

Undoped InSe and Er doped InSe (InSe:Er) single crystals were grown by using the Stockbarger method. Ingots had no cracks and voids on the surface. The absorption measurements were carried out in InSe and InSe:Er samples for U=0 and U=30 V in the temperature range 10-320 K with a step of 10 K. Electric field effects on excitons are observed in InSe and InSe:Er single crystals. The absorption edge shifted towards longer wavelengths and decreased intensity in absorption spectra under an electric field E≅5.9 kV cm -1 . The applied electric field caused a shifting and a decreasing of intensity in the absorption spectra. The shifting of the absorption edge can be explained on the basis of the Franz-Keldysh effect (FKE) or thermal heating of the sample under the electric field. At 10 and 320 K, the first exciton energies for InSe were calculated as 1.336 and 1.291 eV for zero voltage and 1.331 and 1.280 eV for electric field and InSe:Er as 1.329 and 1.251 eV for zero voltage and 1.318 and 1.248 eV for electric field, respectively

Tellurium adsorption on single crystal faces of molybdenum and tungsten field emitters

International Nuclear Information System (INIS)

Collins, R.A.; Kiwanga, C.A.

1978-01-01

The purpose of this letter is to report the extension of previous studies of Te adsorption on Mo and W field emitters to measurements on single crystal planes. The adsorption of semiconductors on metallic emitters has been found to be characterized by simultaneous decreases in emission current and the Fowler-Nordheim work function for adsorbate coverages of less than a monolayer. (Auth.)

Broken symmetry phase transition in solid p-H 2, o-D 2 and HD: crystal field effects

Science.gov (United States)

Freiman, Yu. A.; Hemley, R. J.; Jezowski, A.; Tretyak, S. M.

1999-04-01

We report the effect of the crystal field (CF) on the broken symmetry phase transition (BSP) in solid parahydrogen, orthodeuterium, and hydrogen deuteride. The CF was calculated taking into account a distortion from the ideal HCP structure. We find that, in addition to the molecular field generated by the coupling terms in the intermolecular potential, the Hamiltonian of the system contains a crystal-field term, originating from single-molecular terms in the intermolecular potential. Ignoring the CF is the main cause of the systematic underestimation of the transition pressure, characteristic of published theories of the BSP transition. The distortion of the lattice that gives rise to the negative CF in response to the applied pressure is in accord with the general Le Chatelier-Braun principle.

Crystal Field Levels of Pr3+ in PrFeO3 and PrGaO3 Determined by Inelastic Neutron Scattering

DEFF Research Database (Denmark)

Feldmann, K.; Henning, K.; Kaun, L.

1975-01-01

The crystal field splitting of the 3H4 ground state of the Pr ion in PrFeO3 and PrGaO3 has been investigated by inelastic scattering of thermal neutrons. At several temperatures the transitions have been measured by TAS and TOF methods for polycrystalline PrFeO3 and by the TOF method...... for polycrystalline PrGaO3. Energy level schemes which are different for these materials are given....

Magnetic Order and Crystal Field Excitations in Er2Ru2O7: A Neutron Scattering Study

International Nuclear Information System (INIS)

Ehlers, Georg; Gardner, Jason

2009-01-01

The magnetic pyrochlore Er 2 Ru 2 O 7 has been studied with neutron scattering and susceptibility measurements down to a base temperature of 270 mK. For the low temperature phase in which the Er sublattice orders, new magnetic Bragg peaks are reported which can be indexed with integer (hkl) for a face centered cubic cell. Inelastic measurements reveal a wealth of crystal field levels of the Er ion and a copious amount of magnetic scattering below 15 meV. The three lowest groups of crystal field levels are at 6.7, 9.1 and 18.5 meV.

Thermal behaviour of strontium tartrate single crystals grown in gel

Indian Academy of Sciences (India)

Thermal behaviour of strontium tartrate crystals grown with the aid of sodium metasilicate gel is investigated using thermogravimetry (TG) and differential thermal analysis (DTA). Effect of magnetic field and dopant (Pb)2+ on the crystal stability is also studied using thermal analysis. This study reveals that water molecules are ...

MyCrystals - a simple visual data management program for laboratory-scale crystallization experiments

DEFF Research Database (Denmark)

Løvgreen, Monika Nøhr; Løvgreen, Mikkel; Christensen, Hans Erik Mølager

2009-01-01

MyCrystals is designed as a user-friendly program to display crystal images and list crystallization conditions. The crystallization conditions entry fields can be customized to suit the experiments. MyCrystals is also able to sort the images by the entered crystallization conditions, which...

Photonic time crystals.

Science.gov (United States)

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

2017-12-07

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

Crystallization of Polymers Investigated by Temperature-Modulated DSC

OpenAIRE

Maria Cristina Righetti

2017-01-01

The aim of this review is to summarize studies conducted by temperature-modulated differential scanning calorimetry (TMDSC) on polymer crystallization. This technique can provide several advantages for the analysis of polymers with respect to conventional differential scanning calorimetry. Crystallizations conducted by TMDSC in different experimental conditions are analysed and discussed, in order to illustrate the type of information that can be deduced. Isothermal and non-isothermal crystal...

Extensional flow of nematic liquid crystal with an applied electric field

KAUST Repository

CUMMINGS, L. J.; LOW, J.; MYERS, T. G.

2013-01-01

Systematic asymptotic methods are used to formulate a model for the extensional flow of a thin sheet of nematic liquid crystal. With no external body forces applied, the model is found to be equivalent to the so-called Trouton model for Newtonian sheets (and fibres), albeit with a modified 'Trouton ratio'. However, with a symmetry-breaking electric field gradient applied, behaviour deviates from the Newtonian case, and the sheet can undergo finite-time breakup if a suitable destabilizing field is applied. Some simple exact solutions are presented to illustrate the results in certain idealized limits, as well as sample numerical results to the full model equations. Copyright © Cambridge University Press 2013.

Extensional flow of nematic liquid crystal with an applied electric field

KAUST Repository

CUMMINGS, L. J.

2013-10-17

Systematic asymptotic methods are used to formulate a model for the extensional flow of a thin sheet of nematic liquid crystal. With no external body forces applied, the model is found to be equivalent to the so-called Trouton model for Newtonian sheets (and fibres), albeit with a modified \\'Trouton ratio\\'. However, with a symmetry-breaking electric field gradient applied, behaviour deviates from the Newtonian case, and the sheet can undergo finite-time breakup if a suitable destabilizing field is applied. Some simple exact solutions are presented to illustrate the results in certain idealized limits, as well as sample numerical results to the full model equations. Copyright © Cambridge University Press 2013.

Crystallization In Multicomponent Glasses

International Nuclear Information System (INIS)

Kruger, A.A.; Hrma, P.R.

2009-01-01

In glass processing situations involving glass crystallization, various crystalline forms nucleate, grow, and dissolve, typically in a nonuniform temperature field of molten glass subjected to convection. Nuclear waste glasses are remarkable examples of multicomponent vitrified mixtures involving partial crystallization. In the glass melter, crystals form and dissolve during batch-to-glass conversion, melter processing, and product cooling. Crystals often agglomerate and sink, and they may settle at the melter bottom. Within the body of cooling glass, multiple phases crystallize in a non-uniform time-dependent temperature field. Self-organizing periodic distribution (the Liesegnang effect) is common. Various crystallization phenomena that occur in glass making are reviewed.

CRYSTALLIZATION IN MULTICOMPONENT GLASSES

Energy Technology Data Exchange (ETDEWEB)

KRUGER AA; HRMA PR

2009-10-08

In glass processing situations involving glass crystallization, various crystalline forms nucleate, grow, and dissolve, typically in a nonuniform temperature field of molten glass subjected to convection. Nuclear waste glasses are remarkable examples of multicomponent vitrified mixtures involving partial crystallization. In the glass melter, crystals form and dissolve during batch-to-glass conversion, melter processing, and product cooling. Crystals often agglomerate and sink, and they may settle at the melter bottom. Within the body of cooling glass, multiple phases crystallize in a non-uniform time-dependent temperature field. Self-organizing periodic distribution (the Liesegnang effect) is common. Various crystallization phenomena that occur in glass making are reviewed.

Sensitized charge carrier injection into organic crystals studied by isotope effects in weak magnetic fields

International Nuclear Information System (INIS)

Bube, W.; Michel-Beyerle, M.E.; Haberkorn, R.; Steffens, E.

1977-01-01

The magnetic field (H approximately 50 Oe) dependence of the rhodamine sensitized triplet exciton density in anthracene crystals is influenced by isotopic substitution. This confirms the hyperfine interaction as mechanism explaining the change of the spin multiplicity in the initially formed singlet state of the radical pair. The isotope effect occurs in the sensitizing dye ( 14 N/ 15 N) rather than at the molecular site of the injected charge within the crystal. This can be understood in terms of the high hopping frequency of the charge carriers as compared to the time constant of the hyperfine induced singlet-triplet transition. Since the dye molecules adsorb in an oriented fashion, the angular dependence of the magnetic field modulation of the triplet exciton density can be interpreted without assuming any additional interactions. (Auth.)

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

Science.gov (United States)

Aland, Sebastian; Lowengrub, John; Voigt, Axel

2012-10-01

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

Photorefractive lithium niobate crystals for applications in photonics

International Nuclear Information System (INIS)

Hartwig, U.

2006-12-01

Lithium niobate crystals (LiNbO 3 ) generally show a photorefractive response, i.e., light-induced refractive index changes. Crystals are investigated at room temperature and at elevated temperatures. As a result 'classical' photorefractive holographic volume-phase gratings, originating from space charge fields and the electro-optic effect, and 'non-classical' photorefractive volume-phase gratings, which can be traced back to strong absorption gratings, emerge. Single domain and periodically poled crystals (PPLN) are investigated. PPLN is typically used in non-linear optics for frequency conversion. The crystals also show non-linear photorefractive response during holographic recording with isotropically polarized light beams of equal intensity and, in the case of PPLN, by mixing of domain and holographic gratings. The results are important for applications combining the photorefractive and non-linear optical properties of LiNbO 3 . (orig.)

Theoretically informed Monte Carlo simulation of liquid crystals by sampling of alignment-tensor fields

Energy Technology Data Exchange (ETDEWEB)

Armas-Pérez, Julio C.; Londono-Hurtado, Alejandro [Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637 (United States); Guzmán, Orlando [Departamento de Física, Universidad Autónoma Metropolitana, Iztapalapa, DF 09340, México (Mexico); Hernández-Ortiz, Juan P. [Departamento de Materiales y Minerales, Universidad Nacional de Colombia, Sede Medellín, Medellín (Colombia); Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637 (United States); Pablo, Juan J. de, E-mail: depablo@uchicago.edu [Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637 (United States); Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

2015-07-28

A theoretically informed coarse-grained Monte Carlo method is proposed for studying liquid crystals. The free energy functional of the system is described in the framework of the Landau-de Gennes formalism. The alignment field and its gradients are approximated by finite differences, and the free energy is minimized through a stochastic sampling technique. The validity of the proposed method is established by comparing the results of the proposed approach to those of traditional free energy minimization techniques. Its usefulness is illustrated in the context of three systems, namely, a nematic liquid crystal confined in a slit channel, a nematic liquid crystal droplet, and a chiral liquid crystal in the bulk. It is found that for systems that exhibit multiple metastable morphologies, the proposed Monte Carlo method is generally able to identify lower free energy states that are often missed by traditional approaches. Importantly, the Monte Carlo method identifies such states from random initial configurations, thereby obviating the need for educated initial guesses that can be difficult to formulate.

Theoretically informed Monte Carlo simulation of liquid crystals by sampling of alignment-tensor fields.

Energy Technology Data Exchange (ETDEWEB)

Armas-Perez, Julio C.; Londono-Hurtado, Alejandro; Guzman, Orlando; Hernandez-Ortiz, Juan P.; de Pablo, Juan J.

2015-07-27

A theoretically informed coarse-grained Monte Carlo method is proposed for studying liquid crystals. The free energy functional of the system is described in the framework of the Landau-de Gennes formalism. The alignment field and its gradients are approximated by finite differences, and the free energy is minimized through a stochastic sampling technique. The validity of the proposed method is established by comparing the results of the proposed approach to those of traditional free energy minimization techniques. Its usefulness is illustrated in the context of three systems, namely, a nematic liquid crystal confined in a slit channel, a nematic liquid crystal droplet, and a chiral liquid crystal in the bulk. It is found that for systems that exhibit multiple metastable morphologies, the proposed Monte Carlo method is generally able to identify lower free energy states that are often missed by traditional approaches. Importantly, the Monte Carlo method identifies such states from random initial configurations, thereby obviating the need for educated initial guesses that can be difficult to formulate.

The investigation of stress in freestanding GaN crystals grown from Si substrates by HVPE.

Science.gov (United States)

Lee, Moonsang; Mikulik, Dmitry; Yang, Mino; Park, Sungsoo

2017-08-17

We investigate the stress evolution of 400 µm-thick freestanding GaN crystals grown from Si substrates by hydride vapour phase epitaxy (HVPE) and the in situ removal of Si substrates. The stress generated in growing GaN can be tuned by varying the thickness of the MOCVD AlGaN/AlN buffer layers. Micro Raman analysis shows the presence of slight tensile stress in the freestanding GaN crystals and no stress accumulation in HVPE GaN layers during the growth. Additionally, it is demonstrated that the residual tensile stress in HVPE GaN is caused only by elastic stress arising from the crystal quality difference between Ga- and N-face GaN. TEM analysis revealed that the dislocations in freestanding GaN crystals have high inclination angles that are attributed to the stress relaxation of the crystals. We believe that the understanding and characterization on the structural properties of the freestanding GaN crystals will help us to use these crystals for high-performance opto-electronic devices.

Investigation of grain competitive growth during directional solidification of single-crystal nickel-based superalloys

Energy Technology Data Exchange (ETDEWEB)

Zhao, Xinbao [National Energy R and D Center of Clean and High-Efficiency Fossil-Fired Power Generation Technology, Xi' an Thermal Power Research Institute Co. Ltd., Xi' an (China); Northwestern Polytechnical University, State Key Laboratory of Solidification Processing, Xi' an (China); Liu, Lin; Zhang, Jun [Northwestern Polytechnical University, State Key Laboratory of Solidification Processing, Xi' an (China)

2015-08-15

Grain competitive growth of nickel-based single-crystal superalloys during directional solidification was investigated. A detailed characterization of bi-crystals' competitive growth was performed to explore the competitive grain evolution. It was found that high withdrawal rate improved the efficiency of grain competitive growth. The overgrowth rate was increased when the misorientation increased. Four patterns of grain competitive growth with differently oriented dispositions were characterized. The results indicated that the positive branching of the dendrites played a significant role in the competitive growth process. The effect of crystal orientation and heat flow on the competitive growth can be attributed to the blocking mechanism between the adjacent grains. (orig.)

Investigation of 2D photonic crystal structure based channel drop filter using quad shaped photonic crystal ring resonator for CWDM system

Energy Technology Data Exchange (ETDEWEB)

Chhipa, Mayur Kumar, E-mail: mayurchhipa1@gmail.com; Dusad, Lalit Kumar [Government Engineering College Ajmer, Rajasthan (India); Rajasthan Technical University, Kota, Rajasthan (India)

2016-05-06

In this paper, the design & performance of two dimensional (2-D) photonic crystal structure based channel drop filter is investigated using quad shaped photonic crystal ring resonator. In this paper, Photonic Crystal (PhC) based on square lattice periodic arrays of Gallium Indium Phosphide (GaInP) rods in air structure have been investigated using Finite Difference Time Domain (FDTD) method and photonic band gap is being calculated using Plane Wave Expansion (PWE) method. The PhC designs have been optimized for telecommunication wavelength λ= 1571 nm by varying the rods lattice constant. The number of rods in Z and X directions is 21 and 20, with lattice constant 0.540 nm it illustrates that the arrangement of Gallium Indium Phosphide (GaInP) rods in the structure which gives the overall size of the device around 11.4 µm × 10.8 µm. The designed filter gives good dropping efficiency using 3.298, refractive index. The designed structure is useful for CWDM systems. This device may serve as a key component in photonic integrated circuits. The device is ultra compact with the overall size around 123 µm{sup 2}.

The spin-3/2 Ising model AFM/AFM two-layer lattice with crystal field

International Nuclear Information System (INIS)

Yigit, A.; Albayrak, E.

2010-01-01

The spin-3/2 Ising model is investigated for the case of antiferromagnetic (AFM/AFM) interactions on the two-layer Bethe lattice by using the exact recursion relations in a pairwise approach for given coordination numbers q=3, 4 and 6 when the layers are under the influences of equal external magnetic and equal crystal fields. The ground state (GS) phase diagrams are obtained on the different planes in detail and then the temperature dependent phase diagrams of the system are calculated accordingly. It is observed that the system presents both second- and first-order phase transitions for all q, therefore, tricritical points. It was also found that the system exhibits double-critical end points and isolated points. The model also presents two Neel temperatures, TN, and the existence of which leads to the reentrant behavior.

Buoyant convection during Czochralski silicon growth with a strong, non-uniform, axisymmetric magnetic field

Science.gov (United States)

Khine, Y. Y.; Walker, J. S.

1995-02-01

This paper treats the buoyant convection during the Czochralski growth of silicon crystals with a steady, strong, non-uniform, axisymmetric magnetic field. We consider a family of magnetic fields which includes a uniform axial magnetic field and a "cusp" field which is produced by identical solenoids placed symmetrically above and below the plane of the crystal-melt interface and free surface. We investigate the evolution of the buoyant convection as the magnetic field is changed continuously from a uniform axial field to a cusp field, with a constant value of the root-mean-squared magnetic flux density in the melt. We also investigate changes as the magnetic flux density is increased. While the cusp field appears very promising, perfect alignment between the local magnetic field vector and the crystal-melt interface or free surface is not possible, so the effects of a slight misalignment are also investigated.

Uniform angular overlap model interpretation of the crystal field effect in U(5+) fluoride compounds

Energy Technology Data Exchange (ETDEWEB)

Gajek, Z.; Mulak, J. (W. Trzebiatowski Inst. of Low Temperature and Structure Research, Polish Academy of Sciences, Wroclaw (Poland))

1990-11-01

The uniform interpretation of the crystal field effect in three different U(5+) fluoride compounds: CsUF{sub 6}, {alpha}-UF{sub 5} and {beta}-UF{sub 5} within the angular overlap model (AOM) is given. Some characteristic relations between the AOM parameters and their distance dependencies resulting from ab initio calculations are introduced and examined from a phenomenological point of view. The traditional simplest approach with only one independent parameter, i.e. e{sub {sigma}} with e{sub {pi}}:e{sub {sigma}} = 0.32 and e{sub {delta}} = 0, is shown to provide a consistent interpretation of the crystal field effect of the whole class of the compounds. The parameters obtained for one compound are easily and successfully extrapolated to others. The specificity and importance of the e{sub {delta}} parameter for 5f{sup 1} systems is discussed. (orig.).

Low-field dc magnetization investigations in a Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} single crystal: observation of a magnetic phase transition at the vortex melting line

Energy Technology Data Exchange (ETDEWEB)

Revaz, B. [Geneva Univ. (Switzerland). Dept. de Physique de la Matiere Condensee; Triscone, G. [Geneva Univ. (Switzerland). Dept. de Physique de la Matiere Condensee; Fabrega, L. [Geneva Univ. (Switzerland). Dept. de Physique de la Matiere Condensee; Junod, A. [Geneva Univ. (Switzerland). Dept. de Physique de la Matiere Condensee; Muller, J. [Geneva Univ. (Switzerland). Dept. de Physique de la Matiere Condensee

1996-03-20

The mixed-state magnetization M(H parallel c, T) of a Bi-2212 single crystal has been investigated with high resolution using a SQUID magnetometer. In the high-temperature region (50 K < T < T{sub c} = 80.2 K), we found that the slope {partial_derivative}M/{partial_derivative}H vertical stroke {sub T} vs. H shows a positive step at H{sub trans}(T) {approx} H{sub 0} x (1 - T/T{sub c}){sup n} with H{sub 0} = 2340 Oe and n = 1.28. This observation is compatible with a first-order phase transition with a distribution of internal fields, and is attributed to the melting of the 3D vortex lattice. The estimated entropy jump is 1 k{sub B}/vortex/layer CuO. However, when T is lower than 50 K, we observe radical changes in M(H); the 3D melting line divides into a decoupling line at a temperature-independent field and the onset of the irreversibility. (orig.).

First principles investigation of the structure of a bacteriochlorophyll crystal

Energy Technology Data Exchange (ETDEWEB)

Marchi, M. [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)]|[Centre d`Etudes Saclay, Gif-sur-Yvette (France); Hutter, J.; Parrinello, M. [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)

1996-08-21

In this communication we present an ab initio study of the crystal of methyl bacteriophorbide (MeBPheo) a, a bacteriochlorophyll derivative, and high-precision structure of which is available. Our main purpose has been to investigate the viability of the technique toward complex molecular systems relevant to biologically important phenomena, in this particular case photosynthesis. Here we present the following results: First, we show that DFT is capable of calculating nuclear positions in excellent agreement with the experimental X-ray structure. Second, the calculated electronic density of the HOMO orbital reveals a {pi} type bond between rings I and III, consistent with the one-dimensional chain structure of the MeBPheo a molecules in the crystal. Finally, after performing the optimization of the molecular geometry with one electron in the LUMO state, we find localized bond length changes near the ring II of the MeBPheo a. 19 refs., 3 figs.

Transient dynamics in cavity electromagnetically induced transparency with ion Coulomb crystals

Science.gov (United States)

Albert, Magnus; Dantan, Aurélien; Drewsen, Michael

2018-03-01

We experimentally investigate the transient dynamics of an optical cavity field interacting with large ion Coulomb crystals in a situation of electromagnetically induced transparency (EIT). EIT is achieved by injecting a probe field at the single photon level and a more intense control field with opposite circular polarization into the same mode of an optical cavity to couple Zeeman substates of a metastable level in ? ions. The EIT interaction dynamics are investigated both in the frequency-domain - by measuring the probe field steady state reflectivity spectrum - and in the time-domain - by measuring the progressive buildup of transparency. The experimental results are observed to be in excellent agreement with theoretical predictions taking into account the inhomogeneity of the control field in the interaction volume, and confirm the high degree of control on light-matter interaction that can be achieved with ion Coulomb crystals in optical cavities.

Phase-Field Modeling of Polycrystalline Solidification: From Needle Crystals to Spherulites—A Review

Science.gov (United States)

Gránásy, László; Rátkai, László; Szállás, Attila; Korbuly, Bálint; Tóth, Gyula I.; Környei, László; Pusztai, Tamás

2014-04-01

Advances in the orientation-field-based phase-field (PF) models made in the past are reviewed. The models applied incorporate homogeneous and heterogeneous nucleation of growth centers and several mechanisms to form new grains at the perimeter of growing crystals, a phenomenon termed growth front nucleation. Examples for PF modeling of such complex polycrystalline structures are shown as impinging symmetric dendrites, polycrystalline growth forms (ranging from disordered dendrites to spherulitic patterns), and various eutectic structures, including spiraling two-phase dendrites. Simulations exploring possible control of solidification patterns in thin films via external fields, confined geometry, particle additives, scratching/piercing the films, etc. are also displayed. Advantages, problems, and possible solutions associated with quantitative PF simulations are discussed briefly.

Spin-glass polyamorphism induced by a magnetic field in LaMnO3 single crystal

Science.gov (United States)

Eremenko, V. V.; Sirenko, V. A.; Baran, A.; Čižmár, E.; Feher, A.

2018-05-01

We present experimental evidence of field-driven transition in spin-glass state, similar to pressure-induced transition between amorphous phases in structural and metallic glasses, attributed to the polyamorphism phenomena. Cusp in temperature dependences of ac magnetic susceptibility of weakly disordered LaMnO3 single crystal is registered below the temperature of magnetic ordering. Frequency dependence of the cusp temperature proves its spin-glass origin. The transition induced by a magnetic field in spin-glass state, is manifested by peculiarity in dependence of cusp temperature on applied magnetic field. Field dependent maximum of heat capacity is observed in the same magnetic field and temperature range.

Investigation of a metallic photonic crystal high power microwave mode converter

Directory of Open Access Journals (Sweden)

Dong Wang

2015-02-01

Full Text Available It is demonstrated that an L band metallic photonic crystal TEM-TE11 mode converter is suitable for narrow band high power microwave application. The proposed mode converter is realized by partially filling metallic photonic crystals along azimuthal direction in a coaxial transmission line for phase-shifting. A three rows structure is designed and simulated by commercial software CST Microwave Studio. Simulation results show that its conversion efficiency is 99% at the center frequency 1.58 GHz. Over the frequency range of 1.56-1.625 GHz, the conversion efficiency exceeds 90 %, with a corresponding bandwidth of 4.1 %. This mode converter has a gigawatt level power handling capability which is suitable for narrow band high power microwave application. Using magnetically insulated transmission line oscillator(MILO as a high power microwave source, particle-in-cell simulation is carried out to test the performance of the mode converter. The expected TE11 mode microwave output is obtained and the MILO works well. Mode conversion performance of the converter is tested by far-field measurement method. And the experimental result confirms the validity of our design. Then, high power microwave experiment is carried out on a Marx-driven Blumlein water line pulsed power accelerator. Microwave frequency, radiated pattern and power are measured in the far-field region and the results agree well with simulation results. The experiment also reveals that no microwave breakdown or pulse shortening took place in the experimental setup.

Synthesis of the semi-organic nonlinear optical crystal l-glutamic acid zinc chloride and investigation of its growth and physiochemical properties

Directory of Open Access Journals (Sweden)

S. Chennakrishnan

2017-11-01

Full Text Available The aim of this study is to synthesize and investigate the growth and physiochemical properties of the nonlinear optical semi-organic crystal l-glutamic acid zinc chloride (LGAZC. An optically transparent and defect-free crystal was grown with the slow evaporation solution growth technique under optimized conditions. The induction periods were measured at various supersaturations, and the interfacial energies were evaluated. Single crystal X-ray diffraction reveals that the crystal has an orthorhombic structure with space group P212121, and the calculated lattice parameters are a = 5.20 Å, b = 6.99 Å, c = 17.58 Å, α = β = γ = 90° and volume = 623.411 Å3. Spectroscopic properties were investigated by recording the Fourier transform infrared and optical transmission spectra. The thermal decomposition of the grown crystal was investigated by Thermo Gravimetric and Differential Thermal Analysis (TG/DTA. The LGAZC crystal exhibits second harmonic generation (SHG efficiency 1.5 times that of inorganic KDP crystal. The presence of the metal ion (Zn+ in a grown crystal was identified by EDAX spectrum analysis. The photoconductivity study demonstrates that LGAZC crystal has a positive photo conducting nature. The dielectric response of the LGAZC crystal was investigated and reported. Keywords: Semi-organic nonlinear optical crystal, X-ray Diffraction, UV-vis-NIR, Thermal study

Ultrasound Flow Mapping for the Investigation of Crystal Growth.

Science.gov (United States)

Thieme, Norman; Bonisch, Paul; Meier, Dagmar; Nauber, Richard; Buttner, Lars; Dadzis, Kaspars; Patzold, Olf; Sylla, Lamine; Czarske, Jurgen

2017-04-01

A high energy conversion and cost efficiency are keys for the transition to renewable energy sources, e.g., solar cells. The efficiency of multicrystalline solar cells can be improved by enhancing the understanding of its crystallization process, especially the directional solidification. In this paper, a novel measurement system for the characterization of flow phenomena and solidification processes in low-temperature model experiments on the basis of ultrasound (US) Doppler velocimetry is described. It captures turbulent flow phenomena in two planes with a frame rate of 3.5 Hz and tracks the shape of the solid-liquid interface during multihour experiments. Time-resolved flow mapping is performed using four linear US arrays with a total of 168 transducer elements. Long duration measurements are enabled through an online, field-programmable gate array (FPGA)-based signal processing. Nine single US transducers allow for in situ tracking of a solid-liquid interface. Results of flow and solidification experiments in the model experiment are presented and compared with numerical simulation. The potential of the developed US system for measuring turbulent flows and for tracking the solidification front during a directional crystallization process is demonstrated. The results of the model experiments are in good agreement with numerical calculations and can be used for the validation of numerical models, especially the selection of the turbulence model.

Crystal structure investigations of ZrAsxSey (x>y, x+y≤2) by single crystal neutron diffraction at 300 K, 25 K and 2.3 K

International Nuclear Information System (INIS)

Niewa, Rainer; Czulucki, Andreas; Schmidt, Marcus; Auffermann, Gudrun; Cichorek, Tomasz; Meven, Martin; Pedersen, Bjoern; Steglich, Frank; Kniep, Ruediger

2010-01-01

Large single crystals of ZrAs x Se y (x>y, x+y≤2, PbFCl type of structure, space group P4/nmm) were grown by Chemical Transport. Structural details were studied by single crystal neutron diffraction techniques at various temperatures. One single crystal specimen with chemical composition ZrAs 1.595(3) Se 0.393(1) was studied at ambient temperature (R1=5.10 %, wR2=13.18 %), and a second crystal with composition ZrAs 1.420(3) Se 0.560(1) was investigated at 25 K (R1=2.70%, wR2=5.70 %) and 2.3 K (R1=2.30 %, wR2=4.70 %), respectively. The chemical compositions of the crystals under investigation were determined by wavelength dispersive X-ray spectroscopy. The quantification of trace elements was carried out by Laser Ablation-Inductively Coupled Plasma-Mass Spectrometry. According to the crystal structure refinements the crystallographic 2a site is occupied by As, together with a significant amount of vacancies. One of the 2c sites is fully occupied by As and Se (random distribution). With respect to the fractional coordinates of the atoms, the crystal structure determinations based on the data obtained at 25.0 K and 2.3 K did not show significant deviations from ambient temperature results. The temperature dependence of the displacement parameters indicates a static displacement of As on the 2a sites (located on the (0 0 1) planes) for all temperatures. No indications for any occupation of interstitial sites or the presence of vacancies on the Zr (2a) site were found. - Graphical abstract: Large single crystals of ZrAs x Se y grown by Chemical Transport to study structural details as the As-Se order scheme by single crystal neutron diffraction.

Investigation of inorganic nonlinear optical potassium penta borate tetra hydrate (PPBTH) single crystals grown by slow evaporation method

Science.gov (United States)

Arivuselvi, R.; Babu, P. Ramesh

2018-03-01

Borates family crystals were plays vital role in the field of non linear optics (NLO) due to needs of wide range of applications. In this report, NLO crystals (potassium penta borate tetra hydrate (KB5H8O12) are grown by slow evaporation method at room temperature (28° C) and studied their physical properties. The harvested single crystals are transparent with the dimension of 12 × 10 × 6 mm3 and colourless. X-ray diffraction of single crystals reveals that the grown crystal belongs to orthorhombic system with non-centrosymmetric space group Pba2. All the absorbed functional groups are present in the order of inorganic compounds expect 1688 cm-1 because of water (Osbnd H sbnd O blending) molecule present in the pristine. Crystals show transparent in the entire visible region with 5.9 eV optical band gap and also it shows excellence in both second and third order nonlinear optical properties. Crystals can withstand upto 154 °C without any phase changes which is observed using thermal (TGA/DTA) analysis.

Origin of electronic properties of PbGa2Se4 crystal: Experimental and theoretical investigations

International Nuclear Information System (INIS)

Babuka, T.; Kityk, I.V.; Parasyuk, O.V.; Myronchuk, G.; Khyzhun, O.Y.; Fedorchuk, A.O.; Makowska-Janusik, M.

2015-01-01

Graphical abstract: In the presented work the structural and electronic properties of the PbGa 2 Se 4 single crystal were investigated experimentally as well as theoretically. The XPS spectra, Urbach’s rule and steepness parameters of PbGa 2 Se 4 single crystal have been investigated for the first time. The quantum chemical calculations were also never performed before for the studied structure. The theoretically obtained data help to explain the properties of material. - Highlights: • Urbach’s rule and steepness parameters for PbGa 2 Se 4 crystals explored for the first time. • Non-reactivity of the PbGa 2 Se 4 surface was established by XPS. • DFT approach shows its efficiency to describe electronic properties of PbGa 2 Se 4 . • Electronic parameters are affected by existence of electron–phonon interaction. - Abstract: The PbGa 2 Se 4 crystal is a promising material for optoelectronic applications. It is caused by coexistence of the large polarized Pb cations and a huge contribution of anharmonic phonon subsystem caused by chalcogenide anions. In the present work the electronic and optical properties of the mentioned material were studied theoretically as well as experimentally by optical and X-ray photoelectron spectroscopy methods. The DFT approach has been used for the quantum chemical electronic properties calculations. Urbach rule and steepness parameters of the PbGa 2 Se 4 crystal have been evaluated for the first time. These parameters and Urbach energies increase with increasing temperature of the samples that is typical for the semiconducting materials. The XPS measurements of the investigated crystal reveal that all the spectral features are originated from core-level states of the constituent elements. Simultaneously these results also confirm non-reactivity of the PbGa 2 Se 4 surface. However, the titled single crystal possesses a number of intrinsic structural defects and vacancies thereby affecting its electronic properties. The

Evanescent Field Enhancement in Liquid Crystal Optical Fibers: A Field Characteristics Based Analysis

Directory of Open Access Journals (Sweden)

P. K. Choudhury

2013-01-01

Full Text Available The paper presents the analysis of the electromagnetic wave propagation through liquid crystal optical fibers (LCOFs of two different types—conventional guides loaded with liquid crystals (addressed as LCOFs and those with additional twists due to conducting helical windings (addressed as HCLCOFs. More precisely, the three-layer optical waveguide structures are considered along with its outermost region being loaded with radially anisotropic liquid crystal material and the inner regions being made of usual silica, as used in conventional optical fibers. In addition to that, LCOF with twists introduced in the form of conducting helical windings at the interface of the silica core and the liquid crystal clad is also taken into account. Emphasis has been put on the power confinements by the lower-order TE modes sustained in the different sections of the LCOF structure. The results demonstrate useful applications of these guides in integrated optics as the power sustained in the liquid crystal section by the excited TE modes remains very high. In the case of twisted clad liquid crystal guides, descriptions are limited to the nature of dispersion relation only under the TE mode excitation, and corresponding to the cases of helix orientations being parallel and perpendicular to the optical axis.

Control of liquid crystal molecular orientation using ultrasound vibration

Energy Technology Data Exchange (ETDEWEB)

Taniguchi, Satoki [Faculty of Life and Medical Sciences, Doshisha University, 1-3 Tataramiyakodani, Kyotanabe, Kyoto 610-0321 (Japan); Wave Electronics Research Center, Doshisha University, 1-3 Tataramiyakodani, Kyotanabe, Kyoto 610-0321 (Japan); Koyama, Daisuke; Matsukawa, Mami [Wave Electronics Research Center, Doshisha University, 1-3 Tataramiyakodani, Kyotanabe, Kyoto 610-0321 (Japan); Faculty of Science and Engineering, Doshisha University, 1-3 Tataramiyakodani, Kyotanabe, Kyoto 610-0321 (Japan); Shimizu, Yuki; Emoto, Akira [Faculty of Science and Engineering, Doshisha University, 1-3 Tataramiyakodani, Kyotanabe, Kyoto 610-0321 (Japan); Nakamura, Kentaro [Precision and Intelligence Laboratory, Tokyo Institute of Technology, 4259-R2-26, Nagatsuta-cho, Midori-ku, Yokohama 226-8503 (Japan)

2016-03-07

We propose a technique to control the orientation of nematic liquid crystals using ultrasound and investigate the optical characteristics of the oriented samples. An ultrasonic liquid crystal cell with a thickness of 5–25 μm and two ultrasonic lead zirconate titanate transducers was fabricated. By exciting the ultrasonic transducers, the flexural vibration modes were generated on the cell. An acoustic radiation force to the liquid crystal layer was generated, changing the molecular orientation and thus the light transmission. By modulating the ultrasonic driving frequency and voltage, the spatial distribution of the molecular orientation of the liquid crystals could be controlled. The distribution of the transmitted light intensity depends on the thickness of the liquid crystal layer because the acoustic field in the liquid crystal layer is changed by the orientational film.

Investigation of distribution microhomogeneity of doped elements in oxide single crystals by means of LMA-AES

International Nuclear Information System (INIS)

Nikolova, L.; Krasnobaeva, N.; Manuilov, N.

1989-01-01

The distribution of V and Ti in oxide single crystals Al 2 O 3 :V 3+ , Y 3 Al 5 O 12 :V 3+ , Al 2 O 3 :Ti 3+ , Y 3 Al 5 O 12 :Ti 3+ is investigated by laser emission microspectral analysis with photographic registration of spectra. Single crystals have been grown by the method of vertical directed crystallization (method of Bridgman-Stockbarger). For evaluation of microhomogeneity of the investigated elements distribution the following statistical methods are applied: one-way variance analysis, two-way variance analysis, regression models and gradient method. A PC programme package is developed allowing to process photoregistration data, to choose the internal standard line by scatter diagrams, to perform all statistical analysis and to plot the distribution diagrams of the elements in the samples. 2 refs. (author)

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

Energy Technology Data Exchange (ETDEWEB)

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

2007-06-15

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

Investigation on Guided-Mode Characteristics of Hollow-Core Photonic Crystal Fibre at Near-Infrared Wavelengths

International Nuclear Information System (INIS)

Jin-Hui, Yuan; Chong-Xiu, Yu; Xin-Zhu, Sang; Wen-Jing, Li; Gui-Yao, Zhou; Shu-Guang, Li; Lan-Tian, Hou

2009-01-01

Guided-mode characteristics of hollow-core photonic crystal fibre (HC-PCF) are experimentally and theoretically investigated. The transmission spectrum in the range from 755 to 845 nm is observed and the loss is measured to be 0.12 dB/m at 800 nm by cut-back method. Based on the full-vector beam propagation method and the full-vector plane-wave method, the characteristics of mode field over propagation distance 1 m are simulated, and the results show that the propagation efficiency can be above 80%. Compared with the fundamental guided mode well confined in air core within shorter propagation distance, the second-order guided mode leaks into the cladding region and gradually attenuates due to larger refractive index difference. The primary loss factors in HC-PCF and the corresponding solutions are elementarily discussed. (fundamental areas of phenomenology (including applications))

Investigation of the operating conditions to morphology evolution of β-L-glutamic acid during seeded cooling crystallization

Science.gov (United States)

Zhang, Fangkun; Liu, Tao; Huo, Yan; Guan, Runduo; Wang, Xue Z.

2017-07-01

In this paper the effects of operating conditions including cooling rate, initial supersaturation, and seeding temperature were investigated on the morphology evolution of β-L-glutamic acid (β-LGA) during seeded cooling crystallization. Based on the results of in-situ image acquisition of the crystal morphology evolution during the crystallization process, it was found that the crystal products tend to be plate-like or short rod-like under a slow cooling rate, low initial supersaturation, and low seeding temperature. In the opposite, the operating conditions of a faster cooling rate, higher initial supersaturation, and higher seeding temperature tend to produce long rod-like or needle-like crystals, and meanwhile, the length and width of crystal products will be increased together with a wider crystal size distribution (CSD). The aspect ratio of crystals, defined by the crystal length over width measured from in-situ or sample images, was taken as a shape index to analyze the crystal morphologies. Based on comparative analysis of the experimental results, guidelines on these operating conditions were given for obtaining the desired crystal shapes, along with the strategies for obtaining a narrower CSD for better product quality. Experimental verifications were performed to illustrate the proposed guidelines on the operating conditions for seeded cooling crystallization of LGA solution.

Difference-frequency generation in the field of a few-cycle laser pulse propagating in a GaAs crystal with a domain structure

International Nuclear Information System (INIS)

Oganesyan, David L; Vardanyan, Aleksandr O; Oganesyan, G D

2013-01-01

Difference-frequency generation in a GaAs crystal with a periodic domain structure in the field of a few-cycle laser pulse is considered for the case of weakly pronounced material dispersion. The straight-line method is used to solve numerically the system of coupled nonlinear partial differential equations describing the evolution of the electric field of this laser pulse in GaAs crystals with periodic and chirped domain structures. It is shown that application of a GaAs crystal with a chirped domain structure makes it possible to control the frequency-modulation law for a broadband differencefrequency pulse. (nonlinear optical phenomena)

Irradiation damage of alkali halide crystals during positron bombardment

International Nuclear Information System (INIS)

Arefiev, K.P.; Arefiev, V.P.; Vorobiev, S.A.

1978-01-01

The bleaching effect of positron irradiation of KCl and KBr single crystals previously coloured with electrons or protons was investigated. Positrons injection in the coloured alkali halide samples reduced the F-centres concentration considerably. For KCl crystals thicker than the positrons range the appearance of additional bands in the absorption spectra is noticeable. The experimental data show that the bleaching phenomenon should be observed merely throughout the positron exposure both for irradiated and non-irradiated regions of the sample. Irradiation effects, due to positron source, on the peak counting rate of (γ-γ) angular correlation in KCl crystals under applied magnetic field were also investigated. The growth of peak counting rate shows the increase of positronium-like states formation near defects of cation sublattice. (author)

Investigating the nucleation of protein crystals with hydrostatic pressure

Energy Technology Data Exchange (ETDEWEB)

Kadri, A [Departement ' Mecanismes et Macromolecules de la Synthese Proteique et Cristallogenese' UPR 9002, Institut de Biologie Moleculaire et Cellulaire du CNRS, 15 rue Rene Descartes, F-67084 Strasbourg Cedex (France); Damak, M [Laboratoire de Chimie des Substances Naturelles, Faculte des Sciences de Sfax, BP 802, 3018 Sfax (Tunisia); Jenner, G [Laboratoire de Piezochimie Organique, UMR 7123, Faculte de Chimie, Universite Louis Pasteur, 1 rue Blaise Pascal, F-67008 Strasbourg Cedex (France); Lorber, B [Departement ' Mecanismes et Macromolecules de la Synthese Proteique et Cristallogenese' UPR 9002, Institut de Biologie Moleculaire et Cellulaire du CNRS, 15 rue Rene Descartes, F-67084 Strasbourg Cedex (France); Giege, R [Departement ' Mecanismes et Macromolecules de la Synthese Proteique et Cristallogenese' UPR 9002, Institut de Biologie Moleculaire et Cellulaire du CNRS, 15 rue Rene Descartes, F-67084 Strasbourg Cedex (France)

2003-12-17

Hydrostatic pressure in the 0.1-75 MPa range has been used as a non-invasive tool to study the crystallization process of the tetragonal crystal form of the protein thaumatin (M{sub r} 22 200). Crystals were prepared within agarose gel and at temperatures in the range from 283 to 303 K. The solubility, i.e. the concentration of soluble macromolecules remaining in equilibrium with the crystals, decreases when the pressure increases and when the temperature decreases. High pressure was used to probe the nucleation behaviour of thaumatin. The pressure dependence of the nucleation rate leads to an activation volume of -46.5cm{sup 3} mol{sup -1}. It is shown that an increase in pressure decreases the enthalpy, the entropy and the free energy of crystallization of thaumatin. The data are discussed in the light of the results of crystallographic analyses and of the structure of the protein.

Investigating the nucleation of protein crystals with hydrostatic pressure

International Nuclear Information System (INIS)

Kadri, A; Damak, M; Jenner, G; Lorber, B; Giege, R

2003-01-01

Hydrostatic pressure in the 0.1-75 MPa range has been used as a non-invasive tool to study the crystallization process of the tetragonal crystal form of the protein thaumatin (M r 22 200). Crystals were prepared within agarose gel and at temperatures in the range from 283 to 303 K. The solubility, i.e. the concentration of soluble macromolecules remaining in equilibrium with the crystals, decreases when the pressure increases and when the temperature decreases. High pressure was used to probe the nucleation behaviour of thaumatin. The pressure dependence of the nucleation rate leads to an activation volume of -46.5cm 3 mol -1 . It is shown that an increase in pressure decreases the enthalpy, the entropy and the free energy of crystallization of thaumatin. The data are discussed in the light of the results of crystallographic analyses and of the structure of the protein

Molecular dynamics on diffusive time scales from the phase-field-crystal equation.

Science.gov (United States)

Chan, Pak Yuen; Goldenfeld, Nigel; Dantzig, Jon

2009-03-01

We extend the phase-field-crystal model to accommodate exact atomic configurations and vacancies by requiring the order parameter to be non-negative. The resulting theory dictates the number of atoms and describes the motion of each of them. By solving the dynamical equation of the model, which is a partial differential equation, we are essentially performing molecular dynamics simulations on diffusive time scales. To illustrate this approach, we calculate the two-point correlation function of a fluid.

Investigation of the influence of crystal quality on Borrmann spectroscopy

International Nuclear Information System (INIS)

Kalaydzhyan, Aram

2012-12-01

The goal of thesis is to apply the dynamical theory of X-ray diffraction for perfect crystals to mosaic crystals, which are composed of slightly misoriented blocks. For this purpose statistical methods were used for the description of crystal defects. This concept was combined with the diffraction theory and implemented in code. This program was used for numerical simulations of diffraction processes in transmission geometry by plane barium titanate crystals. The computed dependencies on defects for Borrmann spectroscopy satisfy the initial expectations for medium orders of crystal defects qualitatively.

Investigation of the influence of crystal quality on Borrmann spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Kalaydzhyan, Aram

2012-12-15

The goal of thesis is to apply the dynamical theory of X-ray diffraction for perfect crystals to mosaic crystals, which are composed of slightly misoriented blocks. For this purpose statistical methods were used for the description of crystal defects. This concept was combined with the diffraction theory and implemented in code. This program was used for numerical simulations of diffraction processes in transmission geometry by plane barium titanate crystals. The computed dependencies on defects for Borrmann spectroscopy satisfy the initial expectations for medium orders of crystal defects qualitatively.

One-dimensional modulation instability in biased two-photon photorefractive-photovoltaic crystals

International Nuclear Information System (INIS)

Zhan Kaiyun; Hou Chunfeng; Li Xin

2010-01-01

The one-dimensional modulation instability of broad optical beams in biased two-photon photorefractive-photovoltaic crystals is investigated under steady-state conditions. Our analysis indicates that the modulation instability growth rate depends on the external bias field, the bulk photovoltaic effect and the ratio of the intensity of the incident beam to that of the dark irradiance. Moreover, our results show that this modulation instability growth rate is the same as that in two-photon photorefractive-photovoltaic crystals under open circuit conditions in the absence of an external bias field, and the modulation instability growth rate in two-photon biased photorefractive-nonphotovoltaic crystals can be predicted when the bulk photovoltaic effect is neglected.

Study of crystal-field excitations and Raman active phonons in o-DyMnO3

International Nuclear Information System (INIS)

Jandl, S.; Mansouri, S.; Mukhin, A.A.; Yu Ivanov, V.; Balbashov, A.; Gospodino, M.M.; Nekvasil, V.; Orlita, M.

2011-01-01

In DyMnO 3 orthorhombic single crystals, the weak Raman active phonon softening below T=100 K is correlated with the study of infrared active Dy 3+ CF excitations as a function of temperature and under applied magnetic field. We detect five H 13/2 CF transitions that we predict with appropriate CF Hamiltonian and we confirm that the magnetic easy axis lies in the ab plane. While the CF energy level shifts below T=100 K reflect different displacements of the oxygen ions that contribute to the phonon softening, lifting of the ground state Kramers doublet degeneracy (∼30 cm -1 ) is observed below T N =39 K due to the anisotropic Mn 3+ -Dy 3+ interaction, which could be responsible for the stability of the bc-cycloid ferroelectric phase. - Research highlights: → Origin of Raman active phonon softening in the multiferroic o-DyMnO 3 . → A crystal-field study under magnetic field of Dy 3+ in o-DyMnO 3 . → Location of the magnetic easy axis in o-DyMnO 3 . → Lifting of Kramers doublet degeneracy in o-DyMnO 3 .

Metadynamics studies of crystal nucleation

Science.gov (United States)

Giberti, Federico; Salvalaglio, Matteo; Parrinello, Michele

2015-01-01

Crystallization processes are characterized by activated events and long timescales. These characteristics prevent standard molecular dynamics techniques from being efficiently used for the direct investigation of processes such as nucleation. This short review provides an overview on the use of metadynamics, a state-of-the-art enhanced sampling technique, for the simulation of phase transitions involving the production of a crystalline solid. In particular the principles of metadynamics are outlined, several order parameters are described that have been or could be used in conjunction with metadynamics to sample nucleation events and then an overview is given of recent metadynamics results in the field of crystal nucleation. PMID:25866662

Metadynamics studies of crystal nucleation

Directory of Open Access Journals (Sweden)

Federico Giberti

2015-03-01

Full Text Available Crystallization processes are characterized by activated events and long timescales. These characteristics prevent standard molecular dynamics techniques from being efficiently used for the direct investigation of processes such as nucleation. This short review provides an overview on the use of metadynamics, a state-of-the-art enhanced sampling technique, for the simulation of phase transitions involving the production of a crystalline solid. In particular the principles of metadynamics are outlined, several order parameters are described that have been or could be used in conjunction with metadynamics to sample nucleation events and then an overview is given of recent metadynamics results in the field of crystal nucleation.

Investigation of the process of co-crystallization of barium and strontium nitrates from the system acetic acid-water

International Nuclear Information System (INIS)

Hubicki, W.; Piskorek, M.

1976-01-01

Co-crystallization of barium nitrate and strontium nitrate from the system CH 3 COOH-H 2 O was investigated by using radioactive tracer Ba 133 . The authors have found that during the crystallization of strontium nitrate from acetic acid solution at 25 0 C, one can obtain a 67-fold lowering of the content of barium in strontium nitrate, a 40-fold lowering of the content of barium in strontium nitrate is at 35 0 C. Strontium nitrate went to the solid phase with 70% efficiency. Acetic acid solutions of 24.5-24.3 per cent weight were used. Attention was paid to the franctionation of barium admixtures during crystallization of strontium nitrate from acetic acid solutions (so called ''isothermic salting out crystallization process'') is in agreement with the logarithmic law of Doerner-Hoskins. Process is characterized by a constant coefficient of surface co-crystallization lambda = 18. The results of investigations show that it is possible to obtain spectrally pure non-barium strontium nitrate as the result of its crystallization from the system CH 3 COOH-H 2 O at a temperature of 25 0 and 35 0 C. (author)

Crystal-field splitting in coadsorbate systems: c (2x2) CO/K/Ni (100)

NARCIS (Netherlands)

Hasselström, J.; Föhlisch, A.; Denecke, R.; Nilsson, A.; Groot, F.M.F. de

2000-01-01

It is demonstrated how the crystal field splitting (CFS) fine structure can be used to characterize a coadsor-bate system. We have applied K 2p x-ray absorption spectroscopy (XAS) to the c(2x2) CO/K/Ni(100) system. The CFS fine structure is shown to be sensitive to the the local atomic

The optics of gyrotropic crystals in the field of two counter-propagating ultrasound waves

International Nuclear Information System (INIS)

Gevorgyan, A H; Harutyunyan, E M; Hovhannisyan, M A; Matinyan, G K

2014-01-01

We consider oblique light propagation through a layer of a gyrotropic crystal in the field of two counter-propagating ultrasound waves. The problem is solved by Ambartsumyan's layer addition modified method. The results of the reflection spectra for different values of the problem parameters are presented. The possibilities of such system applications are discussed.

Investigation of domain walls in GMO crystals by conoscope method

International Nuclear Information System (INIS)

Radchenko, I.R.; Filimonova, L.A.

1993-01-01

The patterns of polarized beam interference (conoscopic patterns) enable assessment of orientation and parameters of crystal's optical indicatrix. The presented conoscopic patterns of gadolinium molybdate crystal in the vicinity to plane and wedge-live domain walls differ from conoscopic patterns of the crystals far away from these walls which allows to spear about changes occurring in the crystal in the vicinity to domain walls

YbNi{sub 4}P{sub 2}. Single crystal growth by the Czochralski method and high-field magnetization measurements

Energy Technology Data Exchange (ETDEWEB)

Kliemt, Kristin; Krellner, Cornelius [Goethe-University, Frankfurt (Germany); Foerster, Tobias [HLD, Helmholtz-Zentrum Dresden-Rossendorf, Dresden (Germany); Brando, Manuel [MPI for Chemical Physics of Solids, Dresden (Germany)

2016-07-01

We have investigated a new generation of YbNi{sub 4}P{sub 2} single crystals that were grown from a levitating melt by the Czochralski method. With T{sub C}= 0.17 K, this ferromagnetic material has the lowest Curie temperature ever observed among stoichiometric compounds. A quantum critical point occurs in the substitution series YbNi{sub 4}(P{sub 1-x}As{sub x}){sub 2} at x ∼ 0.1. The hybridization between localized f-electrons and the conduction electrons leads to a Fermi-liquid ground state with narrow bands and strongly enhanced effective electronic masses (heavy fermion system, Kondo temperature 8 K). An external magnetic field can split the bands, deform the Fermi surface and simultaneously suppress the Kondo interaction. If such a deformation changes the topology, it is called a Lifshitz transition. Previous thermodynamic and electrical transport studies have found indications for Lifshitz transitions in this Kondo lattice system. We report on results of high-field magnetization measurements at low temperature to further investigate the putative Lifshitz transitions in YbNi{sub 4}P{sub 2}.

High-field magnetic behavior and forced-ferromagnetic state in an ErFe.sub.11./sub.TiH single crystal

Czech Academy of Sciences Publication Activity Database

Kostyuchenko, N.V.; Zvezdin, A. K.; Tereshina, Evgeniya; Skourski, Y.; Doerr, M.; Drulis, H.; Pelevin, I.A.; Tereshina, I. S.

2015-01-01

Roč. 92, č. 10 (2015), "104423-1"-"104423-5" ISSN 1098-0121 Institutional support: RVO:68378271 Keywords : high field magnetization * crystal field effects * hamiltonian * rare- earth intermetallics Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

Electro-optical effect of a magnetically biased ferronematic liquid crystal.

Science.gov (United States)

Chen, S H; Liang, B J

1988-09-01

The electro-optical effect of a magnetically biased ferronematic liquid-crystal film is investigated by using birefringence measurements. When a magnetic field is applied, the threshold voltage of the Freedericksz transition no longer exists. The dependence of the birefringence on the magnetic field strength in the low field regime is presented. A theory that accounts for the results is given.

Role of internal demagnetizing field for the dynamics of a surface-modulated magnonic crystal

Science.gov (United States)

Langer, M.; Röder, F.; Gallardo, R. A.; Schneider, T.; Stienen, S.; Gatel, C.; Hübner, R.; Bischoff, L.; Lenz, K.; Lindner, J.; Landeros, P.; Fassbender, J.

2017-05-01

This work aims to demonstrate and understand the key role of local demagnetizing fields in hybrid structures consisting of a continuous thin film with a stripe modulation on top. To understand the complex spin dynamics of these structures, the magnonic crystal was reconstructed in two different ways—performing micromagnetic simulations based on the structural shape as well as based on the internal demagnetizing field, which both are mapped on the nanoscale using electron holography. The simulations yield the frequency-field dependence as well as the angular dependence revealing the governing role of the internal field landscape around the backward-volume geometry. Simple rules for the propagation vector and the mode localization are formulated in order to explain the calculated mode profiles. Treating internal demagnetizing fields equivalent to anisotropies, the complex angle-dependent spin-wave behavior is described for an in-plane rotation of the external field.

Crystal structure and magnetic susceptibility of UOSe single crystals

International Nuclear Information System (INIS)

Kaczorowski, D.; Muenster Univ.; Poettgen, R.; Jeitschko, W.; Gajek, Z.; Zygmunt, A.

1993-01-01

The crystal structure and magnetic susceptibility behaviour of UOSe single crystals have been studied. UOSe crystalizes in the tetragonal PbFC1-type structure (space group P4/nmm) with the lattice parameters: a = 390.38(5) pm and c = 698.05(9) pm. It orders antiferromagnetically at T N =100±2 K and exhibits a very strong anisotropy in the susceptibility vs temperature variation. The magnetic and thermodynamic properties of UOSe are successfully interpreted in the framework of a perturbative ab initio crystal field approach. (Author)

Crystal structure and magnetic susceptibility of UOSe single crystals

Energy Technology Data Exchange (ETDEWEB)

Kaczorowski, D. (Polish Academy of Sciences, Wroclaw (Poland). Inst. for Low Temperature and Structure Research Muenster Univ. (Germany). Anorganisch-Chemisches Inst.); Poettgen, R.; Jeitschko, W. (Muenster Univ. (Germany). Anorganisch-Chemisches Inst.); Gajek, Z.; Zygmunt, A. (Polish Academy of Sciences, Wroclaw (Poland). Inst. for Low Temperature and Structure Research)

1993-01-01

The crystal structure and magnetic susceptibility behaviour of UOSe single crystals have been studied. UOSe crystalizes in the tetragonal PbFC1-type structure (space group P4/nmm) with the lattice parameters: a = 390.38(5) pm and c = 698.05(9) pm. It orders antiferromagnetically at T[sub N]=100[+-]2 K and exhibits a very strong anisotropy in the susceptibility vs temperature variation. The magnetic and thermodynamic properties of UOSe are successfully interpreted in the framework of a perturbative ab initio crystal field approach. (Author).

Crystal field levels of tetravalent actinide ions in actinide dioxides UO sub 2 , NpO sub 2 and PuO sub 2

Energy Technology Data Exchange (ETDEWEB)

Krupa, J.C. (Paris-11 Univ., 91 - Orsay (FR). Inst. de Physique Nucleaire); Gajek, Z. (Polska Akademia Nauk, Wroclaw (PL). Inst. Niskich Temperatur i Badan Strukturalnych)

1991-01-01

Crystal-field parameters resulting from analysis of optical spectroscopy and neutron diffraction data recorded on UO{sub 2} and NpO{sub 2} as well as ab-initio calculated parameters were used to calculate the crystal-field eigenfunctions and eigenvalues for the J ground-state manifold of U{sup 4+}, Np{sup 4+} and Pu{sup 4+} in UO{sub 2}, NpO{sub 2} and PuO{sub 2}.

Electric-field gradient characterization at 181Ta impurities in sapphire single crystals

International Nuclear Information System (INIS)

Renteria, M.; Darriba, G.N.; Errico, L.A.; Munoz, E.L.; Eversheim, P.D.

2005-01-01

We report Perturbed-Angular-Correlation (PAC) experiments on corundum Al 2 O 3 single crystals implanted with 181 Hf/ 181 Ta ions at the ISKP at Bonn and measured at La Plata with high efficiency and time-resolution. The magnitude, asymmetry, and orientation (with respect to the crystalline axes) of the electric-field gradient (EFG) tensor were determined measuring the spin-rotation curves as a function of different orientations of the single crystals relative to the detector system. These results are analyzed in the framework of point-charge model and ab initio Full-Potential Linearized-Augmented Plane Wave calculations, and compared with EFG results coming from PAC experiments with 111 In/ 111 Cd impurities. This combined study enables the determination of lattice relaxations induced by the presence of the impurity and the state of charge of a deep impurity donor level in the band gap of the semiconductor. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Magnetoresistance in molybdenite (MoS2) crystals

International Nuclear Information System (INIS)

Chakraborty, B.R.; Dutta, A.K.

1975-01-01

The principal magnetoresistance ratios of molybdenite (MoS 2 ), the naturally occurring semiconducting crystal, have been investigated at magnetic fields ranging from 4.5 KOe and within the temperature range 300 0 K to 700 0 K. Unlike some previous observations, magnetoresistance has been found to be negative. (author)

Elastic constants of stressed and unstressed materials in the phase-field crystal model

Science.gov (United States)

Wang, Zi-Le; Huang, Zhi-Feng; Liu, Zhirong

2018-04-01

A general procedure is developed to investigate the elastic response and calculate the elastic constants of stressed and unstressed materials through continuum field modeling, particularly the phase-field crystal (PFC) models. It is found that for a complete description of system response to elastic deformation, the variations of all the quantities of lattice wave vectors, their density amplitudes (including the corresponding anisotropic variation and degeneracy breaking), the average atomic density, and system volume should be incorporated. The quantitative and qualitative results of elastic constant calculations highly depend on the physical interpretation of the density field used in the model, and also importantly, on the intrinsic pressure that usually pre-exists in the model system. A formulation based on thermodynamics is constructed to account for the effects caused by constant pre-existing stress during the homogeneous elastic deformation, through the introducing of a generalized Gibbs free energy and an effective finite strain tensor used for determining the elastic constants. The elastic properties of both solid and liquid states can be well produced by this unified approach, as demonstrated by an analysis for the liquid state and numerical evaluations for the bcc solid phase. The numerical calculations of bcc elastic constants and Poisson's ratio through this method generate results that are consistent with experimental conditions, and better match the data of bcc Fe given by molecular dynamics simulations as compared to previous work. The general theory developed here is applicable to the study of different types of stressed or unstressed material systems under elastic deformation.

Large rotating magnetocaloric effect in ErAlO3 single crystal

Directory of Open Access Journals (Sweden)

X. Q. Zhang

2017-05-01

Full Text Available Magnetic and magnetocaloric properties of ErAlO3 single crystal were investigated. Magnetization of ErAlO3 shows obvious anisotropy when magnetic field is applied along the a, b and c axes, which leads to large anisotropic magnetic entropy change. In particular, large rotating field entropy change from the b to c axis within the bc plane is obtained and reaches 9.7 J/kg K at 14 K in a field of 5 T. This suggests the possibility of using ErAlO3 single crystal for magnetic refrigerators by rotating its magnetization vector rather than moving it in and out of the magnet.

Two-dimensional NMR investigations of the dynamic conformations of phospholipids and liquid crystals

Energy Technology Data Exchange (ETDEWEB)

Hong, Mei [Univ. of California, Berkeley, CA (United States). Applied Science and Technology

1996-05-01

Two-dimensional 13C, 1H, and 31P nuclear magnetic resonance (NMR) techniques are developed and used to study molecular structure and dynamics in liquid-crystalline systems, primarily phospholipids and nematic liquid crystals. NMR spectroscopy characterizes molecular conformation in terms of orientations and distances of molecular segments. In anisotropically mobile systems, this is achieved by measuring motionally-averaged nuclear dipolar couplings and chemical shift anisotropies. The short-range couplings yield useful bond order parameters, while the long-range interactions constrain the overall conformation. In this work, techniques for probing proton dipolar local fields are further developed to obtain highlyresolved dipolar couplings between protons and rare spins. By exploiting variable-angle sample spinning techniques, orientation-sensitive NMR spectra are resolved according to sitespecific isotropic chemical shifts. Moreover, the signs and magnitudes of various short-range dipolar couplings are obtained. They are used in novel theoretical analyses that provide information about segmental orientations and their distributions. Such information is obtained in a model-independent fashion or with physically reasonable assumptions. The structural investigation of phospholipids is focused on the dynam

Electron paramagnetic resonance investigations of Fe3+ doped layered TiInS2 and TiGaSe2 single crystals

International Nuclear Information System (INIS)

Faik, Mikailov; Bulat, Rameev; Sinan, Kazan; Bekir, Aktash; Faik, Mikailov; Bulat, Rameev

2005-01-01

Full text : TiInS 2 and TiGaSe 2 single crystals doped by paramagnetic Fe ions have been studied at room temperature by Electron Paramagnetic Resonance (EPR) technique. A fine structure of EPR spectra of paramagnetic Fe 3 + ions was observed. The spectra were interpreted to correspond to the transitions among spin multiplet which are splitted by the local ligand crystal field (CF) of orthorhombic symmetry. Four equivalent Fe 3 + centers have been observed in the EPR spectra and the local symmetry of crystal field at the Fe 3 + site and CF parameters were determined. It was established that symmetry axis of the axial component in the CF is making an angle of about 48 and 43 degree with the plane of layers of TiInS 2 and TiGaSe 2 crystals respectively. Experimental results indicate that the Fe ions substitute In (GA) at the center of InS 4 (GaSe 4 ) tetrahedrons, and the rhombic distortion of the CF is caused by the TI ions located in the trigonal cavities between the tethedral complexes

Fluorescence kinetics and positron annihilation kinetics investigations in cadmium sulfide crystals

Energy Technology Data Exchange (ETDEWEB)

Grillot, E; Bancie-Grillot, M; Egee, M [Reims Univ., 51 (France)

1976-03-01

Fluorescence kinetics and positrons annihilation kinetics investigations on CdS crystals, either very pure or with increasing contents of Ag-ions, led to similar and complementary results. Ag-ions mainly fill the cadmium vacancies of the lattice, building red emission luminogene centres, while green 'edge-emission' ones are destroyed. These latter, which involve an excited level active for high energy series fluorescence, seems actually related to cadmium vacancies.

Quenching of light flickering in synthetic guanine crystals in aqueous solutions under strong static magnetic fields

Science.gov (United States)

Mootha, A.; Takanezawa, Y.; Iwasaka, M.

2018-05-01

The present study focused on the vibration of micro crystal particles of guanine due to Brownian motion. The organic particle has a refractive index of 1.83 and caused a flickering of light. To test the possibility of using magnetic properties under wet conditions, changes in the frequency of particle vibration by applying magnetic fields were investigated. At first, we found that the exposure at 5 T inhibited the flickering light intensities and the particle vibration slightly decreased. Next, we carried out a high speed camera measurement of the Brownian motion of the particle with a time resolution of 100 flame per second (fps) with and without magnetic field exposures. It was revealed that the vibrational speed of synthetic particles was enhanced at 500 mT. Detailed analyses of the particle vibration by changing the direction of magnetic fields versus the light source revealed that the Brownian motion's vibrational frequency was entrained under magnetic fields at 500 mT, and an increase in vibration speed to 20Hz was observed. Additional measurements of light scattering fluctuation using photo-detector and analyses on auto-correlation also confirmed this speculation. The studied Brownian vibration may be influenced by the change in mechanical interactions between the vibration particles and surrounding medium. The discovered phenomena can be applied for molecular and biological interactions in future studies.

Light propagation in a magneto-optical hyperbolic biaxial crystal

Science.gov (United States)

Kuznetsov, Evgeniy V.; Merzlikin, Alexander M.

2017-12-01

The light propagation through a magneto-optical hyperbolic biaxial crystal is investigated. Magnetization of the structure results in splitting and reconnection of an isofrequency near the self-intersection point and thus it leads to the disappearance of conical refraction in a crystal. In its turn the isofrequency splitting leads to band gap opening and makes it possible to steer the beam. These effects allow to control the light propagation by means of an external magnetostatic field. The Poynting's vector distribution in the crystal is calculated by means of a Fourier transform in order to demonstrate the aforementioned effects.

Thermalization calorimetry: A simple method for investigating glass transition and crystallization of supercooled liquids

DEFF Research Database (Denmark)

Jakobsen, Bo; Sanz, Alejandro; Niss, Kristine

2016-01-01

and their crystallization, e.g., for locating the glass transition and melting point(s), as well as for investigating the stability against crystallization and estimating the relative change in specific heat between the solid and liquid phases at the glass transition......We present a simple method for fast and cheap thermal analysis on supercooled glass-forming liquids. This “Thermalization Calorimetry” technique is based on monitoring the temperature and its rate of change during heating or cooling of a sample for which the thermal power input comes from heat...

Physical Properties of Liquid Crystals

CERN Document Server

Gray, George W; Spiess, Hans W

1999-01-01

This handbook is a unique compendium of knowledge on all aspects of the physics of liquid crystals. In over 500 pages it provides detailed information on the physical properties of liquid crystals as well as the recent theories and results on phase transitions, defects and textures of different types of liquid crystals. An in-depth understanding of the physical fundamentals is a prerequisite for everyone working in the field of liquid crystal research. With this book the experts as well as graduate students entering the field get all the information they need.

Crystallization of Polymers Investigated by Temperature-Modulated DSC

Directory of Open Access Journals (Sweden)

Maria Cristina Righetti

2017-04-01

Full Text Available The aim of this review is to summarize studies conducted by temperature-modulated differential scanning calorimetry (TMDSC on polymer crystallization. This technique can provide several advantages for the analysis of polymers with respect to conventional differential scanning calorimetry. Crystallizations conducted by TMDSC in different experimental conditions are analysed and discussed, in order to illustrate the type of information that can be deduced. Isothermal and non-isothermal crystallizations upon heating and cooling are examined separately, together with the relevant mathematical treatments that allow the evolution of the crystalline, mobile amorphous and rigid amorphous fractions to be determined. The phenomena of ‘reversing’ and ‘reversible‘ melting are explicated through the analysis of the thermal response of various semi-crystalline polymers to temperature modulation.

Investigation on the growth, spectral, lifetime, mechanical analysis and third-order nonlinear optical studies of L-methionine admixtured D-mandelic acid single crystal: A promising material for nonlinear optical applications

Science.gov (United States)

Jayaprakash, P.; Sangeetha, P.; Kumari, C. Rathika Thaya; Caroline, M. Lydia

2017-08-01

A nonlinear optical bulk single crystal of L-methionine admixtured D-mandelic acid (LMDMA) has been grown by slow solvent evaporation technique using water as solvent at ambient temperature. The crystallized LMDMA single crystal subjected to single crystal X-ray diffraction study confirmed monoclinic system with the acentric space group P21. The FTIR analysis gives information about the modes of vibration in the various functional groups present in LMDMA. The UV-visible spectral analysis assessed the optical quality and linear optical properties such as extinction coefficient, reflectance, refractive index and from which optical conductivity and electric susceptibility were also evaluated. The frequency doubling efficiency was observed using Kurtz Perry powder technique. A multiple shot laser was utilized to evaluate the laser damage threshold energy of the crystal. Discrete thermodynamic properties were carried out by TG-DTA studies. The hardness, Meyer's index, yield strength, elastic stiffness constant, Knoop hardness, fracture toughness and brittleness index were analyzed using Vickers microhardness tester. Layer growth pattern and the surface defect were examined by chemical etching studies using optical microscope. Fluorescence emission spectrum was recorded and lifetime was also studied. The electric field response of crystal was investigated from the dielectric studies at various temperatures at different frequencies. The third-order nonlinear optical response in LMDMA has been investigated using Z-scan technique with He-Ne laser at 632.8 nm and nonlinear parameters such as refractive index (n2), absorption coefficient (β) and susceptibility (χ3) investigated extensively for they are in optical phase conjucation, high-speed optical switches and optical dielectric devices.

Three-dimensional study of the pressure field and advantages of hemispherical crucible in silicon Czochralski crystal growth

Energy Technology Data Exchange (ETDEWEB)

Mokhtari, F. [LTSE Laboratory, University of Science and Technol., USTHB BP 32 Elalia, Babezzouar, Algiers (Algeria); University Mouloud Mammeri, Tizi Ouzou (Algeria); Merah, A. [University M' hammed Bougara, Boumerdes (Algeria); Zizi, M. [LTSE Laboratory, University of Science and Technol., USTHB BP 32 Elalia, Babezzouar, Algiers (Algeria); Hanchi, S. [UER Mecanique/ E.M.P B.P 17 Bordj El Bahri, Algiers (Algeria); Alemany, A. [Laboratoire EPM, CNRS, Grenoble (France); Bouabdallah, A.

2010-06-15

The effects of several growth parameters in cylindrical and spherical Czochralski crystal process are studied numerically and particularly, we focus on the influence of the pressure field. We present a set of three-dimensional computational simulations using the finite volume package Fluent in two different geometries, a new geometry as cylindro-spherical and the traditional configuration as cylindro-cylindrical. We found that the evolution of pressure which is has not been studied before; this important function is strongly related to the vorticity in the bulk flow, the free surface and the growth interface. It seems that the pressure is more sensitive to the breaking of symmetry than the other properties that characterize the crystal growth as temperature or velocity fields. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Phase-field-crystal model for magnetocrystalline interactions in isotropic ferromagnetic solids

Science.gov (United States)

Faghihi, Niloufar; Provatas, Nikolas; Elder, K. R.; Grant, Martin; Karttunen, Mikko

2013-09-01

An isotropic magnetoelastic phase-field-crystal model to study the relation between morphological structure and magnetic properties of pure ferromagnetic solids is introduced. Analytic calculations in two dimensions were used to determine the phase diagram and obtain the relationship between elastic strains and magnetization. Time-dependent numerical simulations in two dimensions were used to demonstrate the effect of grain boundaries on the formation of magnetic domains. It was shown that the grain boundaries act as nucleating sites for domains of reverse magnetization. Finally, we derive a relation for coercivity versus grain misorientation in the isotropic limit.

Crystal field effect in the uranium compounds - model calculations for CsUF/sub 6/, Cs/sub 2/UCl/sub 6/ and UCl/sub 4/

Energy Technology Data Exchange (ETDEWEB)

Gajek, Z.; Mulak, J.; Faucher, M.

1987-01-01

A practical crystal field model allowing one to estimate the crystal field parameters from first principles is presented and applied to the actinide compounds. The model results directly from the renormalization (and reduction) procedure of the true Schroedinger equation for an effective Hamiltonian acting on the 5f spin-orbitals only. In practice this approach becomes convergent with the ab initio model of Newman. Three ionic uranium compounds: CsUF/sub 6/, Cs/sub 2/UCl/sub 6/ and UCl/sub 4/ have served as examples of the application. The results obtained, particularly for the first two compounds, are in good agreement with the experimental data. The contributions of different mechanisms responsible for the crystal field effect are discussed.

EMR-related problems at the interface between the crystal field Hamiltonians and the zero-field splitting Hamiltonians

Directory of Open Access Journals (Sweden)

Rudowicz Czesław

2015-07-01

Full Text Available The interface between optical spectroscopy, electron magnetic resonance (EMR, and magnetism of transition ions forms the intricate web of interrelated notions. Major notions are the physical Hamiltonians, which include the crystal field (CF (or equivalently ligand field (LF Hamiltonians, and the effective spin Hamiltonians (SH, which include the zero-field splitting (ZFS Hamiltonians as well as to a certain extent also the notion of magnetic anisotropy (MA. Survey of recent literature has revealed that this interface, denoted CF (LF ↔ SH (ZFS, has become dangerously entangled over the years. The same notion is referred to by three names that are not synonymous: CF (LF, SH (ZFS, and MA. In view of the strong need for systematization of nomenclature aimed at bringing order to the multitude of different Hamiltonians and the associated quantities, we have embarked on this systematization. In this article, we do an overview of our efforts aimed at providing a deeper understanding of the major intricacies occurring at the CF (LF ↔ SH (ZFS interface with the focus on the EMR-related problems for transition ions.

Ground and excited state absorption of Ni{sup 2+} ions in MgAl{sub 2}O{sub 4}: Crystal field analysis

Energy Technology Data Exchange (ETDEWEB)

Brik, M.G. [Fukui Institute for Fundamental Chemistry, Kyoto University, 34-4 Takano Nishihiraki-cho, Sakyo-ku, Kyoto 606-8103 (Japan) and Department of Chemistry, School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen, Sanda, Hyogo 669-1337 (Japan)]. E-mail: brik@fukui.kyoto-u.ac.jp; Avram, N.M. [Department of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania); Avram, C.N. [Department of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania); Rudowicz, C. [Institute of Physics, Szczecin University of Technology, Al. Piastow 17, 70-310 Szczecin (Poland); Yeung, Y.Y. [Department of Mathematics, Science, Social Sciences and Technology, The Hong Kong Institute of Education, 10 Lo Ping Road, Tai Po, New Territories (Hong Kong); Gnutek, P. [Institute of Physics, Szczecin University of Technology, Al. Piastow 17, 70-310 Szczecin (Poland)

2007-04-25

The exchange charge model (ECM) of crystal field is utilized to provide the theoretical explanation of the ground state absorption and the excited state absorption observed for the octahedrally coordinated Ni{sup 2+} ions in the spinel MgAl{sub 2}O{sub 4}. The ECM enables modeling of the crystal field parameters (CFPs) for the impurity ions based on the crystal structure data of the host lattice. To ensure the reliability of the CFPs, the convergence of the CFP values with the increasing number of the coordination spheres taken into account in the ECM calculations is considered. The trigonal CFPs B{sub 2}{sup 0},B{sub 4}{sup 0}andB{sub 4}{sup -3} determined by the ECM, together with the appropriate Racah parameters B and C, serve as input to two crystal field analysis computer packages, which compute the energy level schemes within the whole 3d{sup 8} configuration. The cubic approximation utilizing only one CFP Dq is also discussed. Basic features of the ground and excited state absorption spectra observed for MgAl{sub 2}O{sub 4}:Ni{sup 2+} are satisfactorily explained by our crystal field analysis. In order to model the pressure dependence of the CFPs (and thus of the absorption spectra when relevant experimental data become available), the variation of the CFPs induced by possible distortions of the lattice due to, e.g. overall relaxation of the ions or accommodation of the impurity ions in the lattice, is studied. Analysis of the experimental absorption spectra enables us to evaluate also the Huang-Rhys parameter, the effective phonon energy, and the zero-phonon line position.

Investigation of ferromagnetic resonance and magnetoresistance in anti-spin ice structures

Science.gov (United States)

Ribeiro, I. R. B.; Felix, J. F.; Figueiredo, L. C.; Morais, P. C.; Ferreira, S. O.; Moura-Melo, W. A.; Pereira, A. R.; Quindeau, A.; de Araujo, C. I. L.

2016-11-01

In this work, we report experimental and theoretical investigations performed in anti-spin ice structures, composed by square lattice of elongated antidots, patterned in nickel thin film. The magnetic vortex crystal state was obtained by micromagnetic simulation as the ground state magnetization, which arises due to the magnetic stray field at the antidot edges inducing chirality in the magnetization of platters among antidots. Ferromagnetic resonance (FMR) and magnetoresistance (MR) measurements were utilized to investigate the vortex crystal magnetization dynamics and magnetoelectric response. By using FMR, it was possible to detect the spin wave modes and vortex crystal resonance, in good agreement with dynamic micromagnetic simulation results. The vortex crystal magnetization configuration and its response to the external magnetic field, were used to explain the isotropic MR behaviour observed.

Orthogonal decomposition of a optical random field using a spatial modulator of light of liquid crystal

International Nuclear Information System (INIS)

Velez Juarez, Esteban; Rodriguez Garciapinna, Jorge L.; Ostrovsky, Andrey S.

2016-01-01

A technique for experimental determining the coherent-mode structure of electromagnetic field is proposed. This technique is based on the coherence measurements of the field in some reference basis and represents a nontrivial vector generalization of the dual-mode field correlation method recently reported by F. Ferreira and M. Belsley. The justifiability and efficiency of the proposed technique is illustrated by an example of determining the coherent-mode structure of some specially generated and experimentally characterized secondary electromagnetic source using a spatial modulator of light of liquid crystal (SLM-LC). (Author)

Magnetic-field-induced martensitic transformation of off-stoichiometric single-crystal Ni2MnGa

International Nuclear Information System (INIS)

Inoue, Kazuko; Yamaguchi, Yasuo; Shishido, Toetsu; Ishii, Yoshinobu; Yamauchi, Hiroki

2009-01-01

The effect of a magnetic field on the martensitic transformation of an off-stoichiometric Heusler type Ni 2.16 Mn 0.78 Ga 1.06 single crystal has been revealed by neutron diffraction. The alloy undergoes a martensitic transformation at room temperature, which is nearly coincident with its Curie temperature. Splitting of the cubic (020) peak on the reciprocal lattice cubic c * -plane was traced at 293 K by a triple-axis neutron spectrometer under an increasing magnetic field of up to 10 T. It was found that the magnetic field causes the martensitic transformation from the cubic structure to the orthorhombic structure, which is the same as that caused by decreasing the temperature without a magnetic field. The increase in the magnetic field to 10 T appears to correspond to a decrease in temperature of nearly 12 K, i.e., from 293 to 281 K. The present experiment suggests the possibility of realizing a magnetic-field-induced shape memory alloy. (author)

A new effective correlation mean-field theory for the ferromagnetic spin-1 Blume-Capel model in a transverse crystal field

Science.gov (United States)

Roberto Viana, J.; Rodriguez Salmon, Octavio D.; Neto, Minos A.; Carvalho, Diego C.

2018-02-01

A new approximation technique is developed so as to study the quantum ferromagnetic spin-1 Blume-Capel model in the presence of a transverse crystal field in the square lattice. Our proposal consists of approaching the spin system by considering islands of finite clusters whose frontiers are surrounded by noninteracting spins that are treated by the effective-field theory. The resulting phase diagram is qualitatively correct, in contrast to most effective-field treatments, in which the first-order line exhibits spurious behavior by not being perpendicular to the anisotropy axis at low-temperatures. The effect of the transverse anisotropy is also verified by the presence of quantum phase transitions. The possibility of using larger sizes constitutes an advantage to other approaches where the implementation of larger sizes is computationally costly.

Centrifugal pumping during Czochralski silicon growth with a strong, non-uniform, axisymmetric magnetic field

Science.gov (United States)

Khine, Y. Y.; Walker, J. S.

1996-08-01

Centrifugal pumping flows are produced in the melt by the rotations of crystal and crucible during the Czochralski growth of silicon crystals. This paper treats the centrifugal pumping effects with a steady, strong, non-uniform axisymmetric magnetic field. We consider a family of magnetic fields ranging from a uniform axial field to a "cusp" field, which has a purely radial field at the crystal-melt interface and free surface. We present the numerical solutions for the centrifugal pumping flows as the magnetic field is changed continuously from a uniform axial field to a cusp one, and for arbitrary Hartmann number. Since the perfect alignment between the local magnetic field vector and the crystal-melt interface or free surface is not likely, we also investigate the effects of a slight misalignment.

Resonant Photonic States in Coupled Heterostructure Photonic Crystal Waveguides

Directory of Open Access Journals (Sweden)

Sabarinathan J

2010-01-01

Full Text Available Abstract In this paper, we study the photonic resonance states and transmission spectra of coupled waveguides made from heterostructure photonic crystals. We consider photonic crystal waveguides made from three photonic crystals A, B and C, where the waveguide heterostructure is denoted as B/A/C/A/B. Due to the band structure engineering, light is confined within crystal A, which thus act as waveguides. Here, photonic crystal C is taken as a nonlinear photonic crystal, which has a band gap that may be modified by applying a pump laser. We have found that the number of bound states within the waveguides depends on the width and well depth of photonic crystal A. It has also been found that when both waveguides are far away from each other, the energies of bound photons in each of the waveguides are degenerate. However, when they are brought close to each other, the degeneracy of the bound states is removed due to the coupling between them, which causes these states to split into pairs. We have also investigated the effect of the pump field on photonic crystal C. We have shown that by applying a pump field, the system may be switched between a double waveguide to a single waveguide, which effectively turns on or off the coupling between degenerate states. This reveals interesting results that can be applied to develop new types of nanophotonic devices such as nano-switches and nano-transistors.

Piezoelectric excitation of elastic waves in centrosymmetrical potassium tantalate crystal

International Nuclear Information System (INIS)

Smolenskij, G.A.; Lemanov, V.V.; Sotnikov, A.V.; Syrnikov, P.P.; Yushin, N.K.

1981-01-01

Experiment results on excitation of elastic oscillations in potassium tantalate crystals are considered. The experiment has been conducted by usual for supersonic measurements technique: an impulse of the variable electric field has been applied to one of plane-parallel sample end-faces, at the same end-face signals corresponding to elastic pulses propagating in the crystal have been detected. Basic radiopulses parameters: basic frequency 30 MHz, duration 1-2 μs, pulse recurrence frequency 500 Hz, power 10 W. The investigation carried out has shown that the application to the sample at T=80 K temperature of constant external electrical field parallel to direction of elastic wave propagation leads to hysteresis dependence of elastic waves amplitude on the external voltage value. With temperature increase the hysteresis loop is deformed. It has been found when investigating temperature dependence of elastic wave amplitude that in the absence of external constant electrical field in short-circuited by constant current samples the oxillation excitation effect disappears at T approximately equal to 200 K. An essential influence on the elastic wave amplitude value is exerted by illumination of the crystal surface by light with 360-630 nm wave length. At T 130 K bacaee of photovoltaic effect in illuminated samples [ru

Strong crystal field effect in Np{sup 4+}:ThCl{sub 4} - optical absorption study

Energy Technology Data Exchange (ETDEWEB)

Gajek, Z. [Instytut Niskich Temperatur i Badan Strukturalnych, Polska Akademia Nauk, 50-950 Wroclaw 2, Skr. Poczt. 1410 (Poland); Krupa, J.C. [Laboratoire de Radiochimie, Institut de Physique Nucleaire, BP 1, 91406 Orsay Cedex (France)

1998-12-21

Results of optical absorption measurements in polarized light on tetravalent neptunium diluted in a ThCl{sub 4} single crystal are reported. The recorded spectra are complex, pointing to the presence of an Np{sup 3+} impurity. The electronic transitions assigned to the Np{sup 4+} ion are interpreted in terms of the usual model, following the actual understanding of the neptunium electronic structure and independent theoretical predictions. R.m.s. deviations of the order of 36 cm{sup -1} have been obtained for 42 levels fitted with 11 free parameters. The crystal field effect resulting from the fitting is considerably larger than that observed for the uranium ion in the same host. (author)

The linear and nonlinear response of infinite periodic systems to static and/or dynamic electric fields. Implementation in CRYSTAL code

Energy Technology Data Exchange (ETDEWEB)

Kirtman, Bernard [Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106 (United States); Springborg, Michael [Physical and Theoretical Chemistry, University of Saarland, 66123 Saarbrücken (Germany); Rérat, Michel [Equipe de Chimie Physique, IPREM UMR5254, Université de Pau et des Pays de l' Adour, 64000 Pau (France); Ferrero, Mauro; Lacivita, Valentina; Dovesi, Roberto [Departimeno di Chimica, IFM, Università di Torino and NIS - Nanostructure Interfaces and Surfaces - Centre of Excellence, Via P. Giuria 7, 10125 Torino (Italy); Orlando, Roberto [Departimento di Scienze e Tecnologie Avanzati, Università del Piemonte Orientale, Viale T. Michel 11, 15121 Alessandria (Italy)

2015-01-22

An implementation of the vector potential approach (VPA) for treating the response of infinite periodic systems to static and dynamic electric fields has been initiated within the CRYSTAL code. The VPA method is based on the solution of a time-dependent Hartree-Fock or Kohn-Sham equation for the crystal orbitals wherein the usual scalar potential, that describes interaction with the field, is replaced by the vector potential. This equation may be solved either by perturbation theory or by finite field methods. With some modification all the computational procedures of molecular ab initio quantum chemistry can be adapted for periodic systems. Accessible properties include the linear and nonlinear responses of both the nuclei and the electrons. The programming of static field pure electronic (hyper)polarizabilities has been successfully tested. Dynamic electronic (hyper)polarizabilities, as well as infrared and Raman intensities, are in progress while the addition of finite fields for calculation of vibrational (hyper)polarizabilities, through nuclear relaxation procedures, will begin shortly.

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

Science.gov (United States)

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

2016-04-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-04-15

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

Properties of the localized field emitted from degenerate Λ-type atoms in photonic crystals

International Nuclear Information System (INIS)

Foroozani, N.; Golshan, M. M.; Mahjoei, M.

2007-01-01

The spontaneous emission from a degenerate Λ-type three-level atom, embedded in a photonic crystal, is studied. The emitted field, as a function of time and position, is calculated by solving the three coupled differential equations governing the amplitudes. We show that the spontaneously emitted field is characterized by three components (as in the case of two-level and V-type atoms): a localized part, a traveling part, and a t -3/2 decaying part. Our calculations indicate that under specific conditions the atoms do not emit propagating fields, while the localized field, having shorter localization length and time, is intensified. As a consequence, the population of the upper level, after a short period of oscillations, approaches a constant value. It is also shown that this steady value, under the same conditions, is much larger than its counterpart in V-type atoms

Temperature-dependent μ-Raman investigation of struvite crystals.

Science.gov (United States)

Prywer, Jolanta; Kasprowicz, D; Runka, T

2016-04-05

The effect of temperature on the vibrational properties of struvite crystals grown from silica gels was systematically studied by μ-Raman spectroscopy. The time-dependent Raman spectra recorded in the process of long time annealing of struvite crystal at 353 K do not indicate structural changes in the struvite crystal with the time of annealing. The temperature-dependent Raman spectra recorded in the range 298-423 K reveal a phase transition in struvite at about 368 K. Above this characteristic temperature, some of bands assigned to vibrations of the PO4 and NH4 tetrahedra and water molecules observed in the Raman spectra in low temperatures (orthorhombic phase) change their spectral parameters or disappear, which indicates a transition to a higher symmetry structure of struvite in the range of high temperatures. Copyright © 2016 Elsevier B.V. All rights reserved.

Burst-mode manipulation of magnonic vortex crystals

Science.gov (United States)

Hänze, Max; Adolff, Christian F.; Weigand, Markus; Meier, Guido

2015-03-01

The manipulation of polarization states in 4 ×4 vortex crystals using sinusoidal magnetic field bursts is investigated by means of a broadband ferromagnetic-resonance setup. Magnetic field excitation with the proper amplitude and frequency allows tuning different polarization states, which are observed in the measured absorption spectra. The variation of the sinusoidal burst width consecutively identifies the time scale of the underlying process. A memorylike polarization state writing process is demonstrated on the submicrosecond time scale.

New investigations of the guanine trichloro cuprate(II) complex crystal

Science.gov (United States)

Fabijanić, Ivana; Matković-Čalogović, Dubravka; Pilepić, Viktor; Ivanišević, Irena; Mohaček-Grošev, Vlasta; Sanković, Krešimir

2017-01-01

Crystals of the guanine trichloro cuprate(II) complex, (HGua)2[Cu2Cl6]·2H2O (HGua = protonated guanine), were prepared and analysed by spectroscopic (IR, Raman) and computational methods. A new single-crystal X-ray diffraction analysis was conducted to obtain data with lower standard uncertainties than those in the previously published structure. Raman and IR spectroscopy and quantum-mechanical analysis gave us new insight into the vibrational states of the (HGua)2[Cu2Cl6]·2H2O crystal. The vibrational spectra of the crystal were assigned by performing a normal coordinate analysis for a free dimer with a centre of inversion as the only symmetry element. The stretching vibration observed at 279 cm-1 in the infrared spectrum corresponds to the N-Cu bond. The noncovalent interaction (NCI) plots and quantum theory of atoms in molecules (QTAIM) analysis of the electron density obtained from periodic DFT calculations elucidated the interactions that exist within the crystal structure. Closed-shell ionic attractions, as well as weak and medium strength hydrogen bonds, prevailed in the crystal packing.

Thermal characterization, crystal field analysis and in-band pumped laser performance of Er doped NaY(WO(4(2 disordered laser crystals.

Directory of Open Access Journals (Sweden)

María Dolores Serrano

Full Text Available Undoped and Er-doped NaY(WO42 disordered single crystals have been grown by the Czochralski technique. The specific heat and thermal conductivity (κ of these crystals have been characterized from T = 4 K to 700 K and 360 K, respectively. It is shown that κ exhibits anisotropy characteristic of single crystals as well as a κ(T behavior observed in glasses, with a saturation mean free phonon path of 3.6 Å and 4.5 Å for propagation along a and c crystal axes, respectively. The relative energy positions and irreducible representations of Stark Er(3+ levels up to (4G(7/2 multiplet have been determined by the combination of experimental low (<10 K temperature optical absorption and photoluminescence measurements and simulations with a single-electron Hamiltonian including both free-ion and crystal field interactions. Absorption, emission and gain cross sections of the (4I(13/2↔(4I(15/2 laser related transition have been determined at 77 K. The (4I(13/2 Er(3+ lifetime (τ was measured in the temperature range of 77-300 K, and was found to change from τ (77K ≈ 4.5 ms to τ (300K ≈ 3.5 ms. Laser operation is demonstrated at 77 K and 300 K by resonantly pumping the (4I(13/2 multiplet at λ≈1500 nm with a broadband (FWHM≈20 nm diode laser source perfectly matching the 77 K crystal (4I(15/2 → (4I(13/2 absorption profile. At 77 K as much as 5.5 W of output power were obtained in π-polarized configuration with a slope efficiency versus absorbed pump power of 57%, the free running laser wavelength in air was λ≈1611 nm with the laser output bandwidth of 3.5 nm. The laser emission was tunable over 30.7 nm, from 1590.7 nm to 1621.4 nm, for the same π-polarized configuration.

Investigation on nonlinear optical and dielectric properties of L-arginine doped ZTC crystal to explore photonic device applications

Directory of Open Access Journals (Sweden)

Anis Mohd

2016-09-01

Full Text Available The present study is focused to explore the photonic device applications of L-arginine doped ZTC (LA-ZTC crystals using nonlinear optical (NLO and dielectric studies. The LA-ZTC crystals have been grown by slow evaporation solution technique. The chemical composition and surface of LA-ZTC crystal have been analyzed by means of energy dispersive spectroscopy (EDS and surface scanning electron microscopy (SEM techniques. The Vicker’s microhardness study has been carried out to determine the hardness, work hardening index, yield strength and elastic stiffness of LA-ZTC crystal. The enhanced SHG efficiency of LA-ZTC crystal has been ascertained using the Kurtz-Perry powder SHG test. The closed-and-open aperture Z-scan technique has been employed to confirm the third order nonlinear optical nature of LA-ZTC crystal. The Z-scan transmittance data has been utilized to calculate the superior cubic susceptibility, nonlinear refractive index, nonlinear absorption coefficient and figure of merit of LA-ZTC crystal. The behavior of dielectric constant and dielectric loss of LA-ZTC crystal at different temperatures has been investigated using the dielectric analysis.

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...

Crystal-field and clustering effects in the specific heat of Dy in Pd

International Nuclear Information System (INIS)

Devine, R.A.B.; Jacques, P.; Poirier, M.

1975-01-01

Recent results of specific-heat measurements on dilute alloys of Dy in Pd are reanalyzed. Assuming the ionic ground state found from paramagnetic-resonance measurements, the Schottky-anomaly and cluster contributions are segregated and the crystal-field splitting of the ground and first-excited states is found to be in reasonable agreement with theoretical predictions. The nature of the cluster contribution is discussed and an upper limit to the range of the Ruderman-Kittel-Kasuya-Yosida interaction deduced

Investigate earing of TWIP steel sheet during deep-drawing process by using crystal plasticity constitutive model

Directory of Open Access Journals (Sweden)

Yang J.

2015-01-01

Full Text Available By combining the nonlinear finite element analysis techniques and crystal plasticity theory, the macroscopic mechanical behaviour of crystalline material, the texture evolution and earing-type characteristics are simulated accurately. In this work, a crystal plasticity model exhibiting deformation twinning is introduced based on crystal plasticity theory and saturation-type hardening laws for FCC metal Fe-22Mn-0.6C TWIP steel. Based on the CPFE model and parameters which have been determined for TWIP steel, a simplified finite element model for deep drawing is promoted by using crystal plasticity constitutive model. The earing characteristics in typical deep-drawing process are simulated well. Further, the drawing forces are calculated and compared to the experimental results from reference. Meanwhile, the impacts of drawing coefficient and initial texture on the earing characteristics are investigated for controlling the earing.

Crystallization mechanisms of acicular crystals

Science.gov (United States)

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

2008-01-01

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

Near-field imaging of light propagation in photonic crystal waveguides: Explicit role of Bloch harmonics

DEFF Research Database (Denmark)

Bozhevolnyi, Sergey I.; Volkov, V.S.; Søndergaard, Thomas

2002-01-01

We employ a collection scanning near-field optical microscope (SNOM) to image the propagation of light at telecommunication wavelengths along straight and bent regions of silicon-on-insulator photonic crystal waveguides (PCWs) formed by removing a single row of holes in the triangular 410-nm...... the interference between a quasihomogeneous background field and Bloch harmonics of the PCW mode, we account for spatial frequency spectra of the intensity variations and determine the propagation constant of the PCW mode at 1520 nm. The possibilities and limitations of SNOM imaging for the characterization...

Magnetic Control in Crystal Growth from a Melt

Science.gov (United States)

Huang, Yue

Control of bulk melt crystal growth techniques is desirable for producing semiconductors with the highest purity and ternary alloys with tunable electrical properties. Because these molten materials are electrically conducting, external magnetic fields are often employed to regulate the flow in the melt. However, complicated by the coupled flow, thermal, electromagnetic and chemical physics, such magnetic control is typically empirical or even an educated guess. Two magnetic flow control mechanisms: flow damping by steady magnetic fields, and flow stirring by alternating magnetic fields, are investigated numerically. Magnetic damping during optically-heated float-zone crystal growth is modeled using a spectral collocation method. The Marangoni convection at the free melt-gas interface is suppressed when exposed to a steady axial magnetic field, measured by the Hartmann number Ha. As a result, detrimental flow instabilities are suppressed, and an almost quiescent region forms in the interior, ideal for single crystal growth. Using normal mode linear stability analyses, dominant flow instabilities are determined in a range applicable to experiments (up to Ha = 300 for Pr = 0.02, and up to Ha = 500 for Pr = 0.001). The hydrodynamic nature of the instability for small Prandtl number Pr liquid bridges is confirmed by energy analyses. Magnetic stirring is modeled for melt crystal growth in an ampule exposed to a transverse rotating magnetic field. Decoupled from the flow field at small magnetic Reynolds number, the electromagnetic field is first solved via finite element analysis. The flow field is then solved using the spectral element method. At low to moderate AC frequencies (up to a few kHz), the electromagnetic body force is dominant in the azimuthal direction, which stirs a steady axisymmetric flow primarily in the azimuthal direction. A weaker secondary flow develops in the meridional plane. However, at high AC frequencies (on the order of 10 kHz and higher), only

Photorefractive effect at 775 nm in doped lithium niobate crystals

Energy Technology Data Exchange (ETDEWEB)

Nava, G.; Minzioni, P.; Cristiani, I.; Degiorgio, V. [Department of Electrical, Computer, and Biomedical Engineering, and CNISM, University of Pavia, 27100 Pavia (Italy); Argiolas, N.; Bazzan, M.; Ciampolillo, M. V.; Pozza, G.; Sada, C. [Physics and Astronomy Departement, University of Padova, 35131 Padova (Italy)

2013-07-15

The photorefractive effect induced by 775-nm laser light on doped lithium niobate crystals is investigated by the direct observation in the far field of the transmitted-beam distortion as a function of time. Measurements performed at various Zr-doping concentrations and different light intensities show that the 775-nm light beam induces a steady-state photorefractive effect comparable to that of 532-nm light, but the observed build-up time of the photovoltaic field is longer by three-orders of magnitude. The 775-nm photorefractivity of lithium niobate crystals doped with 3 mol. % ZrO{sub 2} or with 5.5 mol. % MgO is found to be negligible.

Relaxations and fast dynamics of the plastic crystal cyclo-octanol investigated by broadband dielectric spectroscopy

OpenAIRE

Lunkenheimer, Peter

1997-01-01

Relaxations and fast dynamics of the plastic crystal cyclo-octanol investigated by broadband dielectric spectroscopy / R. Brand, P. Lunkenheimer, A. Loidl. - In: Physical review. B. 56. 1997. S. R5713-R5716

Classical nucleation theory in the phase-field crystal model.

Science.gov (United States)

Jreidini, Paul; Kocher, Gabriel; Provatas, Nikolas

2018-04-01

A full understanding of polycrystalline materials requires studying the process of nucleation, a thermally activated phase transition that typically occurs at atomistic scales. The numerical modeling of this process is problematic for traditional numerical techniques: commonly used phase-field methods' resolution does not extend to the atomic scales at which nucleation takes places, while atomistic methods such as molecular dynamics are incapable of scaling to the mesoscale regime where late-stage growth and structure formation takes place following earlier nucleation. Consequently, it is of interest to examine nucleation in the more recently proposed phase-field crystal (PFC) model, which attempts to bridge the atomic and mesoscale regimes in microstructure simulations. In this work, we numerically calculate homogeneous liquid-to-solid nucleation rates and incubation times in the simplest version of the PFC model, for various parameter choices. We show that the model naturally exhibits qualitative agreement with the predictions of classical nucleation theory (CNT) despite a lack of some explicit atomistic features presumed in CNT. We also examine the early appearance of lattice structure in nucleating grains, finding disagreement with some basic assumptions of CNT. We then argue that a quantitatively correct nucleation theory for the PFC model would require extending CNT to a multivariable theory.

Classical nucleation theory in the phase-field crystal model

Science.gov (United States)

Jreidini, Paul; Kocher, Gabriel; Provatas, Nikolas

2018-04-01

A full understanding of polycrystalline materials requires studying the process of nucleation, a thermally activated phase transition that typically occurs at atomistic scales. The numerical modeling of this process is problematic for traditional numerical techniques: commonly used phase-field methods' resolution does not extend to the atomic scales at which nucleation takes places, while atomistic methods such as molecular dynamics are incapable of scaling to the mesoscale regime where late-stage growth and structure formation takes place following earlier nucleation. Consequently, it is of interest to examine nucleation in the more recently proposed phase-field crystal (PFC) model, which attempts to bridge the atomic and mesoscale regimes in microstructure simulations. In this work, we numerically calculate homogeneous liquid-to-solid nucleation rates and incubation times in the simplest version of the PFC model, for various parameter choices. We show that the model naturally exhibits qualitative agreement with the predictions of classical nucleation theory (CNT) despite a lack of some explicit atomistic features presumed in CNT. We also examine the early appearance of lattice structure in nucleating grains, finding disagreement with some basic assumptions of CNT. We then argue that a quantitatively correct nucleation theory for the PFC model would require extending CNT to a multivariable theory.

Spectroscopic and morphological investigation of conjugated photopolymerisable quinquethiophene liquid crystals

KAUST Repository

McGlashon, Andrew J.

2012-09-01

3′-methyl-(5,5′′-bis[3-ethyl-3-(6-phenyl-hexyloxymethyl) -oxetane])-2,2′:5′,2′′-terthiophene (5T(Me)Ox) is a solution processable small molecule semiconductor displaying smectic-C and nematic liquid crystal phases. The pendant oxetane group can be polymerized in situ in the presence of a suitable photoacid at concentrations ≥1% by weight. Spin-coated films of pure 5T(Me)Ox and 5T(Me)Ox doped with the soluble photoacid were characterized by absorption and photoluminescent spectroscopy. Thick pristine films showed absorption and emission from a crystalline phase. Thin monolayer (<5 nm) films, as well as thicker photoacid doped films, instead showed absorption from an H-aggregate phase and emission from an excimer. Optical microscopy showed a significant change in film structure upon addition of the photoacid; large and well-orientated crystals being replaced by much smaller domains which appear to vary in thickness. Grazing Incidence Wide Angle X-Ray Scattering (GIWAXS) was used to characterize the packing and orientation of molecules in the crystalline and doped samples. The results are consistent with the photoacid doped samples forming layers of H-aggregate phase monolayer sheets parallel to the substrate where the photoacid inhibits the transition into the three-dimensionally ordered crystalline phase. Field-effect transistors and light emitting diodes were constructed incorporating 5T(Me)Ox as the active layer. Pure 5T(Me)Ox field-effect transistors showed good, p-type device characteristics, but the morphological changes upon doping result in a loss of transistor action. In the diodes, curing through melting and exposure to UV light followed by photoacid removal resulted in an increase in current density but a decrease in light emission. These results indicate that the presence of the photoacid (≥1% by weight) can have a dramatic effect on the structure, morphology and device performance of ordered, photopatternable materials for organic

Spectroscopic and morphological investigation of conjugated photopolymerisable quinquethiophene liquid crystals

KAUST Repository

McGlashon, Andrew J.; Zhang, Weimin; Smilgies, Detlef Matthias; Shkunov, Maxim N.; Genevičius, Kristijonas; Whitehead, Katherine S.; Amassian, Aram; Malliaras, George G.; Bradley, Donal D C; Heeney, Martin J.; Campbell, Alasdair J.

2012-01-01

3′-methyl-(5,5′′-bis[3-ethyl-3-(6-phenyl-hexyloxymethyl) -oxetane])-2,2′:5′,2′′-terthiophene (5T(Me)Ox) is a solution processable small molecule semiconductor displaying smectic-C and nematic liquid crystal phases. The pendant oxetane group can be polymerized in situ in the presence of a suitable photoacid at concentrations ≥1% by weight. Spin-coated films of pure 5T(Me)Ox and 5T(Me)Ox doped with the soluble photoacid were characterized by absorption and photoluminescent spectroscopy. Thick pristine films showed absorption and emission from a crystalline phase. Thin monolayer (<5 nm) films, as well as thicker photoacid doped films, instead showed absorption from an H-aggregate phase and emission from an excimer. Optical microscopy showed a significant change in film structure upon addition of the photoacid; large and well-orientated crystals being replaced by much smaller domains which appear to vary in thickness. Grazing Incidence Wide Angle X-Ray Scattering (GIWAXS) was used to characterize the packing and orientation of molecules in the crystalline and doped samples. The results are consistent with the photoacid doped samples forming layers of H-aggregate phase monolayer sheets parallel to the substrate where the photoacid inhibits the transition into the three-dimensionally ordered crystalline phase. Field-effect transistors and light emitting diodes were constructed incorporating 5T(Me)Ox as the active layer. Pure 5T(Me)Ox field-effect transistors showed good, p-type device characteristics, but the morphological changes upon doping result in a loss of transistor action. In the diodes, curing through melting and exposure to UV light followed by photoacid removal resulted in an increase in current density but a decrease in light emission. These results indicate that the presence of the photoacid (≥1% by weight) can have a dramatic effect on the structure, morphology and device performance of ordered, photopatternable materials for organic

Magnetic ions in crystals

CERN Document Server

Stevens, K W

2014-01-01

There have been many demonstrations, particularly for magnetic impurity ions in crystals, that spin-Hamiltonians are able to account for a wide range of experimental results in terms of much smaller numbers of parameters. Yet they were originally derived from crystal field theory, which contains a logical flaw; electrons on the magnetic ions are distinguished from those on the ligands. Thus there is a challenge: to replace crystal field theory with one of equal or greater predictive power that is based on a surer footing. The theory developed in this book begins with a generic Hamiltonian, on

Simulation of liquid crystals. Disclinations and surface modification

International Nuclear Information System (INIS)

Downton, M.

2001-01-01

In this thesis we investigate the behaviour of molecular models liquid crystals in several different situations. Basic introductory material on liquid crystals and computer simulations is discussed in the first two chapters, we then discuss the research. The third chapter investigates the interaction between a liquid crystal and a modified surface. A confined system of hard spherocylinders in a slab geometry is examined. The surface consists of planar hard walls with elongated molecules grafted perpendicularly onto them. The concentration of grafted molecules is varied to give different surfaces. Several different behaviours are found including planar, homeotropic and tilted anchorings of the liquid crystal. Molecular dynamics simulations of a nematic liquid crystal in slab geometry with twisted boundary conditions are performed. By arranging the initial configuration suitably it is possible to create a simulation cell with two regions of opposite twist separated by a strength half disclination line. The properties of the line are examined both with and without an applied external field. Finally, we again examine the system of grafted molecules on a flat substrate using an atomistic model of both the liquid crystal and the surface molecules. Again the effect of varying the density of grafted molecules is found to change the anchoring characteristics of the surface; both homeotropic and planar anchorings are observed. (author)

Electric-field gradient characterization at {sup 181}Ta impurities in sapphire single crystals

Energy Technology Data Exchange (ETDEWEB)

Renteria, M.; Darriba, G.N.; Errico, L.A.; Munoz, E.L. [Departamento de Fisica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, CC 67, 1900 La Plata (Argentina); Eversheim, P.D. [Helmholtz-Institut fuer Strahlen-und Kernphysik (ISKP), Universitaet Bonn, Nussallee 14-16, 53115 Bonn (Germany)

2005-07-01

We report Perturbed-Angular-Correlation (PAC) experiments on corundum Al{sub 2}O{sub 3} single crystals implanted with {sup 181}Hf/{sup 181}Ta ions at the ISKP at Bonn and measured at La Plata with high efficiency and time-resolution. The magnitude, asymmetry, and orientation (with respect to the crystalline axes) of the electric-field gradient (EFG) tensor were determined measuring the spin-rotation curves as a function of different orientations of the single crystals relative to the detector system. These results are analyzed in the framework of point-charge model and ab initio Full-Potential Linearized-Augmented Plane Wave calculations, and compared with EFG results coming from PAC experiments with {sup 111}In/{sup 111}Cd impurities. This combined study enables the determination of lattice relaxations induced by the presence of the impurity and the state of charge of a deep impurity donor level in the band gap of the semiconductor. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Engineering the near-field imaging of a rectangular-lattice photonic-crystal slab in the second band

Institute of Scientific and Technical Information of China (English)

无

2009-01-01

Imaging properties of a two-dimensional rectangular-lattice photonic crystal (PC) slab consisting of air holes immersed in a dielectric are studied in this work. The field patterns of electromagnetic waves radiated from a point source through the PC slab are calculated with the finite-difference time-domain method. Comparing the field patterns with the corresponding equifrequency-surface contours simulated by the plane-wave expansion method, we find that an excellent-quality near-field image may be formed through the PC slab by the mechanisms of the simultaneous action of the self-collimation effect and the negative-refraction effect. Near-field imaging may be obtained within two different frequency regions in two vertical directions of the PC slab.

Near-field characterization of low-loss photonic crystal waveguides

DEFF Research Database (Denmark)

Volkov, V. S.; Bozhevolnyi, S. I.; Borel, Peter Ingo

2005-01-01

-nm-period lattices with different filling factors (0.76 and 0.82) and connected to access ridge waveguides. Using the near-field optical images we investigate the light propagation along PCWs for TM and TE polarization (the electric field is perpendicular/parallel to the sample surface). Efficient...

Investigation of the electric field in irradiated diamond sensors

Energy Technology Data Exchange (ETDEWEB)

Kassel, Florian; Barvich, Tobias; Boer, Wim de; Dierlamm, Alexander; Eber, Robert; Nuernberg, Andreas; Steck, Pia [Institut fuer Experimentelle Kernphysik (IEKP), Karlsruher Institut fuer Technologie (KIT) (Germany); Dabrowski, Anne; Guthoff, Moritz [CERN (Switzerland)

2015-07-01

The Beam Condition Monitoring Leakage (BCML) system is a beam monitoring device in the CMS experiment at the LHC. As detectors 32 poly-crystalline CVD diamond sensors are positioned in a ring around the beam pipe at a distance of +/-1.8 m and +/-14.4 m from the interaction point. The radiation hardness of the diamond sensors in terms of measured signal during operation was significantly lower than expected based on laboratory measurements. At high particle rates, like they occur during the operation of the LHC, charge carriers can be trapped in defects created by radiation. This space charge is expected to modify the electrical field in the sensor bulk and hence to reduce the charge collection efficiency. This modified electrical field has been indirectly measured in the laboratory using the Transient Current Technique (TCT) method in irradiated single crystal CVD diamond. This rate dependent effect was simulated with the software 'SILVACO ATLAS' and the obtained electrical field was used to calculate a TCT measurement pulse. The results of the TCT measurements will be compared to the simulation.

Separation of Rashba and Dresselhaus spin-orbit interactions using crystal direction dependent transport measurements

International Nuclear Information System (INIS)

Ho Park, Youn; Kim, Hyung-jun; Chang, Joonyeon; Hee Han, Suk; Eom, Jonghwa; Choi, Heon-Jin; Cheol Koo, Hyun

2013-01-01

The Rashba spin-orbit interaction effective field is always in the plane of the two-dimensional electron gas and perpendicular to the carrier wavevector but the direction of the Dresselhaus field depends on the crystal orientation. These two spin-orbit interaction parameters can be determined separately by measuring and analyzing the Shubnikov-de Haas oscillations for various crystal directions. In the InAs quantum well system investigated, the Dresselhaus term is just 5% of the Rashba term. The gate dependence of the oscillation patterns clearly shows that only the Rashba term is modulated by an external electric field

Electrically tunable zero dispersion wavelengths in photonic crystal fibers filled with a dual frequency addressable liquid crystal

International Nuclear Information System (INIS)

Wahle, Markus; Kitzerow, Heinz-Siegfried

2015-01-01

We present a liquid crystal (LC) infiltrated photonic crystal fiber, which enables the electrical tuning of the position of zero dispersion wavelengths (ZDWs). A dual frequency addressable liquid crystal is aligned perpendicular on the inclusion walls of a photonic crystal fiber, which results in an escaped radial director field. The orientation of the LC is controlled by applying an external electric field. Due to the high index of the liquid crystal the fiber guides light by the photonic band gap effect. Multiple ZDWs exist in the visible and near infrared. The positions of the ZDWs can be either blue or red shifted depending on the frequency of the applied voltage

Liquid Crystal Colloids

Science.gov (United States)

Smalyukh, Ivan I.

2018-03-01

Colloids are abundant in nature, science, and technology, with examples ranging from milk to quantum dots and the colloidal atom paradigm. Similarly, liquid crystal ordering is important in contexts ranging from biological membranes to laboratory models of cosmic strings and liquid crystal displays in consumer devices. Some of the most exciting recent developments in both of these soft matter fields emerge at their interface, in the fast-growing research arena of liquid crystal colloids. Mesoscale self-assembly in such systems may lead to artificial materials and to structures with emergent physical behavior arising from patterning of molecular order and nano- or microparticles into precisely controlled configurations. Liquid crystal colloids show exceptional promise for new discovery that may impinge on composite material fabrication, low-dimensional topology, photonics, and so on. Starting from physical underpinnings, I review the state of the art in this fast-growing field, with a focus on its scientific and technological potential.

Investigations of Residual Stresses and Mechanical Properties of Single Crystal Niobium for SRF Cavities

Science.gov (United States)

Gnäupel-Herold, Thomas; Myneni, Ganapati Rao; Ricker, Richard E.

2007-08-01

This work investigates properties of large grained, high purity niobium with respect to the forming of superconducting radio frequency (SRF) cavities from such large grained sheets. The yield stresses were examined using tensile specimens that were essentially single crystals in orientations evenly distributed in the standard projection triangle. No distinct yield anisotropy was found, however, vacuum annealing increased the yield strength by a factor 2…3. The deep drawing forming operation of the half cells raises the issues of elastic shape changes after the release of the forming tool (springback) and residual stresses, both of which are indicated to be negligible. This is a consequence of the low yield stress (sheet metal forming). However, the significant anisotropy of the transversal plastic strains after uniaxial deformation points to potentially critical thickness variations for large grained / single crystal half cells, thus raising the issue of controlling grain orientation or using single crystal sheet material.

Investigations of Residual Stresses and Mechanical Properties of Single Crystal Niobium for SRF Cavities

International Nuclear Information System (INIS)

Gnaeupel-Herold, Thomas; Myneni, Ganapati Rao; Ricker, Richard E.

2007-01-01

This work investigates properties of large grained, high purity niobium with respect to the forming of superconducting radio frequency (SRF) cavities from such large grained sheets. The yield stresses were examined using tensile specimens that were essentially single crystals in orientations evenly distributed in the standard projection triangle. No distinct yield anisotropy was found, however, vacuum annealing increased the yield strength by a factor 2...3. The deep drawing forming operation of the half cells raises the issues of elastic shape changes after the release of the forming tool (springback) and residual stresses, both of which are indicated to be negligible. This is a consequence of the low yield stress (< 100 MPa) and the large thickness (compared to typical thicknesses in sheet metal forming). However, the significant anisotropy of the transversal plastic strains after uniaxial deformation points to potentially critical thickness variations for large grained / single crystal half cells, thus raising the issue of controlling grain orientation or using single crystal sheet material

Spurious effects of electron emission from the grids of a retarding field analyser on secondary electron emission measurements. Results on a (111) copper single crystal

International Nuclear Information System (INIS)

Pillon, J.; Roptin, D.; Cailler, M.

1976-01-01

Spurious effects of a four grid retarding field analyzer were studied for low energy secondary electron measurements. Their behavior was investigated and two peaks in the energy spectrum were interpreted as resulting from tertiary electrons from the grids. It was shown that the true secondary electron peak has to be separated from these spurious peaks. The spectrum and the yields sigma and eta obtained for a Cu(111) crystal after a surface cleanness control by Auger spectroscopy are given

Tracing crystal-field splittings in the rare-earth-based intermetallic CeIrIn5

Science.gov (United States)

Chen, Q. Y.; Wen, C. H. P.; Yao, Q.; Huang, K.; Ding, Z. F.; Shu, L.; Niu, X. H.; Zhang, Y.; Lai, X. C.; Huang, Y. B.; Zhang, G. B.; Kirchner, S.; Feng, D. L.

2018-02-01

Crystal electric field states in rare earth intermetallics show an intricate entanglement with the many-body physics that occurs in these systems and that is known to lead to a plethora of electronic phases. Here we attempt to trace different contributions to the crystal electric field (CEF) splittings in CeIrIn5, a heavy-fermion compound and member of the Ce M In5 (M = Co, Rh, Ir) family. To this end, we utilize high-resolution resonant angle-resolved photoemission spectroscopy (ARPES) and present a spectroscopic study of the electronic structure of this unconventional superconductor over a wide temperature range. As a result, we show how ARPES can be used in combination with thermodynamic measurements or neutron scattering to disentangle different contributions to the CEF splitting in rare earth intermetallics. We also find that the hybridization is stronger in CeIrIn5 than CeCoIn5 and the effects of the hybridization on the Fermi volume increase is much smaller than predicted. By providing experimental evidence for 4 f7/2 1 splittings which, in CeIrIn5, split the octet into four doublets, we clearly demonstrate the many-body origin of the so-called 4 f7/2 1 state.

Fluorination of Metal Phthalocyanines: Single-Crystal Growth, Efficient N-Channel Organic Field-Effect Transistors, and Structure-Property Relationships

Science.gov (United States)

Jiang, Hui; Ye, Jun; Hu, Peng; Wei, Fengxia; Du, Kezhao; Wang, Ning; Ba, Te; Feng, Shuanglong; Kloc, Christian

2014-01-01

The fluorination of p-type metal phthalocyanines produces n-type semiconductors, allowing the design of organic electronic circuits that contain inexpensive heterojunctions made from chemically and thermally stable p- and n-type organic semiconductors. For the evaluation of close to intrinsic transport properties, high-quality centimeter-sized single crystals of F16CuPc, F16CoPc and F16ZnPc have been grown. New crystal structures of F16CuPc, F16CoPc and F16ZnPc have been determined. Organic single-crystal field-effect transistors have been fabricated to study the effects of the central metal atom on their charge transport properties. The F16ZnPc has the highest electron mobility (~1.1 cm2 V−1 s−1). Theoretical calculations indicate that the crystal structure and electronic structure of the central metal atom determine the transport properties of fluorinated metal phthalocyanines. PMID:25524460

RNA Crystallization

Science.gov (United States)

Golden, Barbara L.; Kundrot, Craig E.

2003-01-01

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

Photonics of liquid-crystal structures: A review

Energy Technology Data Exchange (ETDEWEB)

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

2011-07-15

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

Electric-Field Effects in ESR Spectrum of Low-Spin Center Ni3+ in KTaO3 Crystals (Preprint)

National Research Council Canada - National Science Library

Sochava, L. S; Basun, S. A; Bursian, V. E; Razdobarin, A. G; Evans, Dean R

2007-01-01

...+ was studied in KTaO3 single crystals. Orientation of the centers as well as splitting of the resonance lines was found resulting from the external E-field interaction with the electric dipole moment of the center...

Magneto-optic dynamics in a ferromagnetic nematic liquid crystal

OpenAIRE

Potisk, Tilen; Mertelj, Alenka; Sebastian, Nerea; Osterman, Natan; Lisjak, Darja; Brand, Helmut R.; Pleiner, Harald; Svenšek, Daniel

2018-01-01

We investigate dynamic magneto-optic effects in a ferromagnetic nematic liquid crystal experimentally and theoretically. Experimentally we measure the magnetization and the phase difference of the transmitted light when an external magnetic field is applied. As a model we study the coupled dynamics of the magnetization, M, and the director field, n, associated with the liquid crystalline orientational order. We demonstrate that the experimentally studied macroscopic dynamic behavior reveals t...

Differentiation of organic and non-organic winter wheat cultivars from a controlled field trial by crystallization patterns.

Science.gov (United States)

Kahl, Johannes; Busscher, Nicolaas; Mergardt, Gaby; Mäder, Paul; Torp, Torfinn; Ploeger, Angelika

2015-01-01

There is a need for authentication tools in order to verify the existing certification system. Recently, markers for analytical authentication of organic products were evaluated. Herein, crystallization with additives was described as an interesting fingerprint approach which needs further evidence, based on a standardized method and well-documented sample origin. The fingerprint of wheat cultivars from a controlled field trial is generated from structure analysis variables of crystal patterns. Method performance was tested on factors such as crystallization chamber, day of experiment and region of interest of the patterns. Two different organic treatments and two different treatments of the non-organic regime can be grouped together in each of three consecutive seasons. When the k-nearest-neighbor classification method was applied, approximately 84% of Runal samples and 95% of Titlis samples were classified correctly into organic and non-organic origin using cross-validation. Crystallization with additive offers an interesting complementary fingerprint method for organic wheat samples. When the method is applied to winter wheat from the DOK trial, organic and non-organic treated samples can be differentiated significantly based on pattern recognition. Therefore crystallization with additives seems to be a promising tool in organic wheat authentication. © 2014 Society of Chemical Industry.

AC electric field assisted orientational photorefractive effect in C60-doped nematic liquid crystal

International Nuclear Information System (INIS)

Sun Xiudong; Pei Yanbo; Yao Fengfeng; Zhang Jianlong; Hou Chunfeng

2007-01-01

Photorefractive gratings were produced in a C 60 -doped nematic liquid crystal cell under the application of two coherent beams and a nonbiased sinusoidal ac electric field. The beam coupling and diffraction of the ac electric field assisted gratings were studied systematically. A stable asymmetric energy transference was obtained. Diffraction was observed when the angle (between the normal of the cell and the bisector of the writing beams) was 0 0 , and the dependence of diffraction efficiency on the peak-to-peak value of the ac voltage was similar to that at an incidence angle of 45 0 , suggesting that the role of the ac field was to facilitate the charge separation, and the space-charge field (SCF) originated predominantly from the diffusion of the ac electric field assisted photo-induced carriers under the application of nonuniform illumination and an applied ac field. The grating was produced by director reorientation induced by the cooperation of the SCF and the applied ac electric field. A self-erasing phenomenon was observed in this cell. An explanation in terms of the movement of two kinds of carriers with opposite signs was proposed

Photonic crystals physics, fabrication and applications

CERN Document Server

Ohtaka, Kazuo

2004-01-01

"Photonic Crystals" details recent progress in the study of photonic crystals, ranging from fundamental aspects to up-to-date applications, in one unified treatment It covers most of the worldwide frontier fields in photonic crystals, including up-to-date fabrication techniques, recent and future technological applications, and our basic understanding of the various optical properties of photonic crystals Brand-new theoretical and experimental data are also presented The book is intended for graduate course students and specialists actively working in this field, but it will also be useful for newcomers, especially the extensive chapter dealing with fundamental aspects of photonic crystals, which paves the way to a full appreciation of the other topics addressed

Three-dimensional investigation of the texture and microstructure below a nanoindent in a Cu single crystal using 3D EBSD and crystal plasticity finite element simulations

International Nuclear Information System (INIS)

Zaafarani, N.; Raabe, D.; Singh, R.N.; Roters, F.; Zaefferer, S.

2006-01-01

This paper reports a three-dimensional (3D) study of the microstructure and texture below a conical nanoindent in a (111) Cu single crystal at nanometer-scale resolution. The experiments are conducted using a joint high-resolution field emission scanning electron microscopy/electron backscatter diffraction (EBSD) set-up coupled with serial sectioning in a focused ion beam system in the form of a cross-beam 3D crystal orientation microscope (3D EBSD). The experiments (conducted in sets of subsequent (112-bar ) cross-section planes) reveal a pronounced deformation-induced 3D patterning of the lattice rotations below the indent. In the cross-section planes perpendicular to the (111) surface plane below the indenter tip the observed deformation-induced rotation pattern is characterized by an outer tangent zone with large absolute values of the rotations and an inner zone closer to the indenter axis with small rotations. The mapping of the rotation directions reveals multiple transition regimes with steep orientation gradients and frequent changes in sign. The experiments are compared to 3D elastic-viscoplastic crystal plasticity finite element simulations adopting the geometry and boundary conditions of the experiments. The simulations show a similar pattern for the absolute orientation changes but they fail to predict the fine details of the patterning of the rotation directions with the frequent changes in sign observed in the experiment. Also the simulations overemphasize the magnitude of the rotation field tangent to the indenter relative to that directly below the indenter tip

Crystallization and spectroscopic properties investigations of Er3+ doped transparent glass ceramics containing CaF2

International Nuclear Information System (INIS)

Hu Zhongjian; Wang Yuansheng; Ma En; Bao Feng; Yu Yunlong; Chen Daqin

2006-01-01

Transparent oxyfluoride glass ceramics with composition of 45SiO 2 -25Al 2 O 3 -5CaCO 3 -10NaF-15CaF 2 -0.5ErF 3 (in mol%) were developed through controlled crystallization of melt-quenched glass. Non-isothermal crystallization kinetics investigation showed that the average apparent activation energy E a and Avrami exponent n are about 283 kJ/mol and 2.22, respectively, indicating the crystallization a three dimensional crystal growth process controlled by the diffusion with a decreasing nucleation rate. X-ray diffraction (XRD) analysis and transmission electron microscopy (TEM) observation revealed the precipitation of CaF 2 crystallites sized about 15 nm among the glass matrix after heat-treatment at 650 deg. C for 2 h. For as-made glass, no upconversion signals were detected when excited with a 30 mW diode laser at 980 nm, while strong upconversion emissions at 545, 660 and 800 nm were obtained for transparent glass ceramic under similar excitation condition

Large rotating field entropy change in ErFeO3 single crystal with angular distribution contribution

Science.gov (United States)

Huang, Ruoxiang; Cao, Shixun; Ren, Wei; Zhan, Sheng; Kang, Baojuan; Zhang, Jincang

2013-10-01

We report the rotating field entropy of ErFeO3 single-crystal in a temperature range of 3-40 K. The giant magnetic entropy change, ΔSM = -20.7 J/(kg K), and the refrigerant capacity, RC = 273.5 J/kg, are observed near T =6 K. The anisotropic constants at 6 K, K1 = 1.24× 103 J/kg, K2 = 0.74 × 103 J/kg, in the bc plane are obtained. By considering the magnetocrystalline anisotropy and Fermi-Dirac angular distribution along the orientation of spontaneous magnetization, the experimental results can be well simulated. Our present work demonstrates that ErFeO3 crystal may find practical use for low temperature anisotropic magnetic refrigeration.

Phase field modeling of twinning in indentation of transparent crystals

International Nuclear Information System (INIS)

Clayton, J D; Knap, J

2011-01-01

Continuum phase field theory is applied to study elastic twinning in calcite and sapphire single crystals subjected to indentation loading by wedge-shaped indenters. An order parameter is associated with the magnitude of stress-free twinning shear. Geometrically linear and nonlinear theories are implemented and compared, the latter incorporating neo-Hookean elasticity. Equilibrium configurations of deformed and twinned crystals are attained numerically via direct energy minimization. Results are in qualitative agreement with experimental observations: a long thin twin forms asymmetrically under one side of the indenter, the tip of the twin is sharp and the length of the twin increases with increasing load. Qualitatively similar results are obtained using isotropic and anisotropic elastic constants, though the difference between isotropic and anisotropic results is greater in sapphire than in calcite. Similar results are also obtained for nanometer-scale specimens and millimeter-scale specimens. Indentation forces are greater in the nonlinear model than the linear model because of the increasing tangent bulk modulus with increasing pressure in the former. Normalized relationships between twin length and indentation force are similar for linear and nonlinear theories at both nanometer and millimeter scales. Twin morphologies are similar for linear and nonlinear theories for indentation with a 90° wedge. However, in the nonlinear model, indentation with a 120° wedge produces a lamellar twin structure between the indenter and the long sharp primary twin. This complex microstructure is not predicted by the linear theory

Pulsed laser deposition of semiconductor-ITO composite films on electric-field-applied substrates

International Nuclear Information System (INIS)

Narazaki, Aiko; Sato, Tadatake; Kawaguchi, Yoshizo; Niino, Hiroyuki; Yabe, Akira; Sasaki, Takeshi; Koshizaki, Naoto

2002-01-01

The DC electric-field effect on the crystallinity of II-VI semiconductor in composite systems has been investigated for CdS-ITO films fabricated via alternative pulsed laser deposition (PLD) of CdS and indium tin oxide (ITO) on electric-field-applied substrates. The alternative laser ablation was performed under irradiation of ArF excimer laser in mixture gas of helium and oxygen. The application of electric-field facilitated the preferential crystal-growth of CdS in nanometer scale at low pressure, whereas all the films grown without the field were amorphous. There is a large difference in the crystallization between the films grown on field-applied and heated substrates; the latter showed the crystal-growth with random orientations. This difference indicates that the existence of electric-field has an influence on the transformation from amorphous to crystalline phase of CdS. The driving force for the field-induced crystallization is also discussed in the light of the Joule heat

Orientation-dependent crystal instability of gamma-TiAl in nanoindentation investigated by a multiscale interatomic potential finite-element model

International Nuclear Information System (INIS)

Xiong, Kai; Liu, Xiaohui; Gu, Jianfeng

2014-01-01

The anisotropic mechanical behavior of γ-TiAl alloys has been observed and repeatedly reported, but the effect of crystallographic orientations on the crystal instability of γ-TiAl is still unclear. In this paper, the orientation-dependent crystal instability of γ-TiAl single crystals was investigated by performing nanoindentation on different crystal surfaces. All the nanoindentations are simulated using an interatomic potential finite-element model (IPFEM). Simulation results show that the load–displacement curves, critical indentation depth and critical load for crystal instability as well as indentation modulus, are all associated with surface orientations. The active slip systems and the location of crystal instability in five typical nanoindentations are analyzed in detail, i.e. the (0 0 1), (1 0 0), (1 0 1), (1 1 0) and (1 1 1) crystal surfaces. The predicted crystal instability sites and the activated slipping systems in the IPFEM simulations are in good agreement with the dislocation nucleation in molecular dynamics simulations. (paper)

Giant crystal-electric-field effect and complex magnetic behavior in single-crystalline CeRh3Si2

Science.gov (United States)

Pikul, A. P.; Kaczorowski, D.; Gajek, Z.; Stȩpień-Damm, J.; Ślebarski, A.; Werwiński, M.; Szajek, A.

2010-05-01

Single-crystalline CeRh3Si2 was investigated by means of x-ray diffraction, magnetic susceptibility, magnetization, electrical resistivity, and specific-heat measurements carried out in wide temperature and magnetic field ranges. Moreover, the electronic structure of the compound was studied at room temperature by cerium core-level x-ray photoemission spectroscopy (XPS). The physical properties were analyzed in terms of crystalline electric field and compared with results of ab initio band-structure calculations performed within the density-functional theory approach. The compound was found to crystallize in the orthorhombic unit cell of the ErRh3Si2 type (space group Imma No.74, Pearson symbol: oI24 ) with the lattice parameters a=7.1330(14)Å , b=9.7340(19)Å , and c=5.6040(11)Å . Analysis of the magnetic and XPS data revealed the presence of well-localized magnetic moments of trivalent cerium ions. All the physical properties were found to be highly anisotropic over the whole temperature range studied and influenced by exceptionally strong crystalline electric field with the overall splitting of the 4f1 ground multiplet exceeding 5700 K. Antiferromagnetic order of the cerium magnetic moments at TN=4.70(1)K and their subsequent spin rearrangement at Tt=4.48(1)K manifest themselves as distinct anomalies in the temperature characteristic of all the physical properties investigated and exhibit complex evolution in an external magnetic field. A tentative magnetic B-T phase diagram, constructed for B parallel to the b axis being the easy magnetization direction, shows very complex magnetic behavior of CeRh3Si2 , similar to that recently reported for an isostructural compound CeIr3Si2 . The electronic band-structure calculations corroborated the antiferromagnetic ordering of the cerium magnetic moments and well-reproduced the experimental XPS valence-band spectrum.

Maximizing Macromolecule Crystal Size for Neutron Diffraction Experiments

Science.gov (United States)

Judge, R. A.; Kephart, R.; Leardi, R.; Myles, D. A.; Snell, E. H.; vanderWoerd, M.; Curreri, Peter A. (Technical Monitor)

2002-01-01

A challenge in neutron diffraction experiments is growing large (greater than 1 cu mm) macromolecule crystals. In taking up this challenge we have used statistical experiment design techniques to quickly identify crystallization conditions under which the largest crystals grow. These techniques provide the maximum information for minimal experimental effort, allowing optimal screening of crystallization variables in a simple experimental matrix, using the minimum amount of sample. Analysis of the results quickly tells the investigator what conditions are the most important for the crystallization. These can then be used to maximize the crystallization results in terms of reducing crystal numbers and providing large crystals of suitable habit. We have used these techniques to grow large crystals of Glucose isomerase. Glucose isomerase is an industrial enzyme used extensively in the food industry for the conversion of glucose to fructose. The aim of this study is the elucidation of the enzymatic mechanism at the molecular level. The accurate determination of hydrogen positions, which is critical for this, is a requirement that neutron diffraction is uniquely suited for. Preliminary neutron diffraction experiments with these crystals conducted at the Institute Laue-Langevin (Grenoble, France) reveal diffraction to beyond 2.5 angstrom. Macromolecular crystal growth is a process involving many parameters, and statistical experimental design is naturally suited to this field. These techniques are sample independent and provide an experimental strategy to maximize crystal volume and habit for neutron diffraction studies.

Crystal field parameters with Wannier functions: application to Nd.sub.2./sub.Fe.sub.14./sub.B systems

Czech Academy of Sciences Publication Activity Database

Yoshioka, T.; Tsuchiura, H.; Novák, Pavel

2015-01-01

Roč. 19, Sup.3 (2015), S4-S8 ISSN 1432-8917 Institutional support: RVO:68378271 Keywords : crystal field parameters * Nd-Fe-B permanent magnet Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.830, year: 2014

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

Bent crystal X-ray optics for the diagnosis and applications of laser-produced plasmas

International Nuclear Information System (INIS)

Loetzsch, Robert

2012-01-01

The present thesis discussed several aspects of X-ray optics based on bent crystals and a number of applications of these optics. First, a deeper insight into the reflection properties of elastically bent perfect crystal optics was gained by the consideration of all deformation effects. It was shown that the reflection properties depend on the lateral position on the crystal, an effect that was not addressed before, neither experimentally nor theoretically. To investigate this effect, an apparatus for the measurement of Bragg angles of bent crystals with high angular resolution was built. It was measured that the lattice plane distances of two-dimensionally bent crystals vary laterally by up to 10 -4 . This effect has to be considered in high resolution X-ray spectroscopy and imaging with these bent crystals. It can explain discrepancies in theoretical and experimental spectrometer resolution with spherically bent crystals. Besides these principal investigations, in this thesis a number of X-ray optics were presented that demonstrate the application potential of bent crystal optics. This includes two optics that are used in the field of applications of laser-produced plasmas as high repeating hard X-ray sources. It was shown that an X-ray spectrometer based on full cylinder rings of highly oriented pyrolytic graphite is capable to record the rather weak single shot pulses from a high repeating 1 er-plasma X-ray source. This is possible due to the high collection efficiency of the instrument of up to 5.10 -4 . Furthermore, X-ray optics based on toroidally bent crystals that make it possible to spectrally select a bandwidth of ∝1 eV and focus the ultrashort X-ray pulses from such a laser-plasma source, were designed, prepared and characterized. It was shown that these bent crystals provide the calculated integrated reflectivity, the predicted bandwidth and focus to spot sizes smaller than 60 μm. A novel application of toroidally bent crystals was pointed out: a

Interliposomal transfer of crystal violet dye from DPPC liposomes to magnetoliposomes

International Nuclear Information System (INIS)

Koneracka, Martina; Kopcansky, Peter; Sosa, Pavol; Bagelova, Jaroslava; Timko, Milan

2005-01-01

Magnetoliposomes offer new challenges in the field of modern biotechnology and biomedicine. To investigate the important mechanism of interliposomal transfer of encapsulated substances, we investigated in the present work magnetoliposomes and liposomes containing the dye crystal violet. Our study of transmembrane transport showed that the dye transfer from DPPC liposomes to magnetoliposomes was temperature dependent

Hybrid excitations due to crystal field, spin-orbit coupling, and spin waves in LiFePO4

Science.gov (United States)

Yiu, Yuen; Le, Manh Duc; Toft-Peterson, Rasmus; Ehlers, Georg; McQueeney, Robert J.; Vaknin, David

2017-03-01

We report on the spin waves and crystal field excitations in single crystal LiFePO4 by inelastic neutron scattering over a wide range of temperatures, below and above the antiferromagnetic transition of this system. In particular, we find extra excitations below TN=50 K that are nearly dispersionless and are most intense around magnetic zone centers. We show that these excitations correspond to transitions between thermally occupied excited states of Fe2 + due to splitting of the S =2 levels that arise from the crystal field and spin-orbit interactions. These excitations are further amplified by the highly distorted nature of the oxygen octahedron surrounding the iron atoms. Above TN, magnetic fluctuations are observed up to at least 720 K, with an additional inelastic excitation around 4 meV, which we attribute to single-ion effects, as its intensity weakens slightly at 720 K compared to 100 K, which is consistent with the calculated cross sections using a single-ion model. Our theoretical analysis, using the MF-RPA model, provides both detailed spectra of the Fe d shell and estimates of the average ordered magnetic moment and TN. By applying the MF-RPA model to a number of existing spin-wave results from other Li M PO4 (M =Mn , Co, and Ni), we are able to obtain reasonable predictions for the moment sizes and transition temperatures.

Magnetic order and crystal fields in the Pnma phases of Tm2BaTO5(T=Co and Ni)

International Nuclear Information System (INIS)

Harker, S.J.; Stewart, G.A.

2000-01-01

The magnetic ordering and crystal field interactions of the Pnma phases of both Tm 2 BaCoO 5 and Tm 2 BaNiO 5 are investigated by 169 Tm Moessbauer spectroscopy and the temperature-dependent hyperfine interactions are compared with those obtained elsewhere for Tm 2 BaCuO 5 . The Pnma phases are shown to order magnetically at temperatures of 3.5(2) K (Tm 2 BaCoO 5 ) and 4.85(5) K (Tm 2 BaNiO 5 ), the order being induced by the transition metal. For Tm 2 BaNiO 5 an additional first-order transition observed at T≤1.4 K is identified with the independent magnetic order of the thulium sub-lattice. (orig.)

Attempt to detect diamagnetic anisotropy of dust-sized crystal orientated to investigate the origin of interstellar dust alignment

Science.gov (United States)

Takeuchi, T.; Hisayoshi, K.; Uyeda, C.

2013-03-01

Diamagnetic anisotropy Δ χ dia was detected on a submillimeter-sized calcite crystal by observing the rotational oscillation of its magnetically stable axis with respect to the magnetic field direction. The crystal was released in an area of microgravity generated by a 1.5-m-long drop shaft. When the oscillations are observable, the present method can measure Δ χ dia of crystal grains irrespective of how small they are without measuring the sample mass. In conventional Δ χ measurements, the background signal from the sample holder and the difficulty in measuring the sample mass prevent measurement of Δ χ dia for small samples. The present technique of observing Δ χ dia of a submillimeter-sized single crystal is a step toward realizing Δ χ dia measurements of micron-sized grains. The Δ χ dia values of single micron-sized grains can be used to assess the validity of a dust alignment model based on magnetic torque that originates from the Δ χ dia of individual dust particles.

Electromagnetic processes in strong crystalline fields

CERN Multimedia

2007-01-01

We propose a number of new investigations on aspects of radiation from high energy electron and positron beams (10-300 GeV) in single crystals and amorphous targets. The common heading is radiation emission by electrons and positrons in strong electromagnetic fields, but as the setup is quite versatile, other related phenomena in radiation emission can be studied as well. The intent is to clarify the role of a number of important aspects of radiation in strong fields as e.g. observed in crystals. We propose to measure trident 'Klein-like' production in strong crystalline fields, 'crystalline undulator' radiation, 'sandwich' target phenomena, LPM suppression of pair production as well as axial and planar effects in contributions of spin to the radiation.

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

Science.gov (United States)

Schmitt, Regina; Kuhn, Charlotte; Müller, Ralf

2017-07-01

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

A numerical method for investigating crystal settling in convecting magma chambers

Science.gov (United States)

Verhoeven, J.; Schmalzl, J.

2009-12-01

Magma chambers can be considered as thermochemically driven convection systems. We present a new numerical method that describes the movement of crystallized minerals in terms of active spherical particles in a convecting magma that is represented by an infinite Prandtl number fluid. The main part focuses on the results we obtained. A finite volume thermochemical convection model for two and three dimensions and a discrete element method, which is used to model granular material, are combined. The new model is validated with floating experiments using particles of different densities and an investigation of single and multiparticle settling velocities. The resulting velocities are compared with theoretical predictions by Stokes's law and a hindered settling function for the multiparticle system. Two fundamental convection regimes are identified in the parameter space that is spanned by the Rayleigh number and the chemical Rayleigh number, which is a measure for the density of the particles. We define the T regime that is dominated by thermal convection. Here the thermal driving force is strong enough to keep all particles in suspension. As the particles get denser, they start settling to the ground, which results in a C regime. The C regime is characterized by the existence of a sediment layer with particle-rich material and a suspension layer with few particles. It is shown that the presence of particles can reduce the vigor of thermal convection. In the frame of a parameter study we discuss the change between the regimes that is systematically investigated. We show that the so-called TC transition fits a power law. Furthermore, we investigate the settling behavior of the particles in vigorous thermal convection, which can be linked to crystal settling in magma chambers. We develop an analytical settling law that describes the number of settled particles against time and show that the results fit the observations from numerical and laboratory experiments.

Investigation of structural relaxation, crystallization process and magnetic properties of the Fe-Ni-Si-B-C amorphous alloy

International Nuclear Information System (INIS)

Kalezic-Glisovic, A.; Novakovic, L.; Maricic, A.; Minic, D.; Mitrovic, N.

2006-01-01

The differential scanning calorimetry method was used for investigating the crystallization process of the Fe 89.8 Ni 1.5 Si 5.2 B 3 C 0.5 amorphous alloy. It was shown that the examined alloy crystallizes in three stages. The first crystallization stage occurs at 799 K, the second at 820 K and the third at 888 K. Temperature dependence of the magnetic susceptibility relative change was investigated by the modified Faraday method in the temperature region from room temperature up to 900 K. It has been established that the Curie temperature is about 700 K for amorphous state. The magnetic susceptibility increases by 30% after the first heating up to 710 K. During the second heating up to 840 K the alloy loses its ferromagnetic features in the temperature region from 710 to 750 K, upon which it again regains the same. After the second heating magnetic susceptibility decreases by 23% as compared to the amorphous starting value and by 53% as compared to the value before the second heating. The crystallized alloy maintains ferromagnetic features in the whole temperature region during the heating up to 900 K

Investigation of structural relaxation, crystallization process and magnetic properties of the Fe-Ni-Si-B-C amorphous alloy

Energy Technology Data Exchange (ETDEWEB)

Kalezic-Glisovic, A. [Joint Laboratory for Advanced Materials of SASA, Section for Amorphous Systems, Technical Faculty Cacak, Svetog Save 65, 32000 Cacak (Serbia and Montenegro)]. E-mail: aleksandrakalezic@eunet.yu; Novakovic, L. [Faculty of Physics, Studentski trg 16, 11000 Belgrade (Serbia and Montenegro); Maricic, A. [Joint Laboratory for Advanced Materials of SASA, Section for Amorphous Systems, Technical Faculty Cacak, Svetog Save 65, 32000 Cacak (Serbia and Montenegro); Minic, D. [Faculty of Physical Chemistry, Studentski trg 16, 11000 Belgrade (Serbia and Montenegro); Mitrovic, N. [Joint Laboratory for Advanced Materials of SASA, Section for Amorphous Systems, Technical Faculty Cacak, Svetog Save 65, 32000 Cacak (Serbia and Montenegro)]. E-mail: nmitrov@tfc.kg.ac.yu

2006-07-15

The differential scanning calorimetry method was used for investigating the crystallization process of the Fe{sub 89.8}Ni{sub 1.5}Si{sub 5.2}B{sub 3}C{sub 0.5} amorphous alloy. It was shown that the examined alloy crystallizes in three stages. The first crystallization stage occurs at 799 K, the second at 820 K and the third at 888 K. Temperature dependence of the magnetic susceptibility relative change was investigated by the modified Faraday method in the temperature region from room temperature up to 900 K. It has been established that the Curie temperature is about 700 K for amorphous state. The magnetic susceptibility increases by 30% after the first heating up to 710 K. During the second heating up to 840 K the alloy loses its ferromagnetic features in the temperature region from 710 to 750 K, upon which it again regains the same. After the second heating magnetic susceptibility decreases by 23% as compared to the amorphous starting value and by 53% as compared to the value before the second heating. The crystallized alloy maintains ferromagnetic features in the whole temperature region during the heating up to 900 K.

Computation of LACBED images from bi-crystals using reciprocity. Part 1 Rigid-body displacements between parallel crystals

International Nuclear Information System (INIS)

Kube, D.; Goodman, P.; Forwood, C.; Rossouw, C.

1997-01-01

A new method for the rapid generation of high resolution bicrystal LACBED images is described, which uses reciprocity to generate the second-crystal transmission function for a specific doubly-transmitted beam. As a result, sets of bright-field or specific dark-field LACBED images can readily be generated for sets inter-crystal displacements, to allow comparison with experimental results. In Part I we describe results obtained for pure translations between bi-crystals pairs, while in Part II we describe the method for bi-crystals incorporating relative rotations as well as translations. It is envisaged that this technique will be useful for the body semi-conductor crystal pair interfaces, and metal-alloy grain boundaries, in particular. (authors). 16 refs., 6 figs

In-situ temperature field measurements and direct observation of crystal/melt at vertical Bridgman growth of lead chloride under stationary and dynamic arrangement

Czech Academy of Sciences Publication Activity Database

Král, Robert; Nitsch, Karel

2015-01-01

Roč. 427, Oct (2015), 7-15 ISSN 0022-0248 R&D Projects: GA MŠk(CZ) LH14266 Institutional support: RVO:68378271 Keywords : single crystal growth * temperature field measurements * crystal/melt interface * lead chloride * vertical Bridgman method Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.462, year: 2015

Investigation of radiation-enhanced diffusions of non valency impurities in ionic crystals

International Nuclear Information System (INIS)

Surzhikov, A.P.; Pritulov, A.M.; Gyngazov, S.A.; Chernyavskij, A.V.

1999-01-01

Investigations of hetero valency ions Al +3 and Mg +2 diffusion in potassium bromide crystals, under the intensive electron radiation, were conducted. The electron accelerator ELV-6 generating a continuous electron beam of 1.4 MeV in power was used for the investigations. To discover the radiation effects, there was a comparison of outcomes of the heating under the same temperature and annealing duration values. The mass-spectrometer MS-7021M was used to measure the diffusion profiles. The experimental outcomes analysis was carried out by approximation of the experimental concentration profiles, using a relevant solution of Fick's equation. The numerical values of the diffusion factors for the set annealing temperatures were determined according to the approximation outcomes. The investigations were financed by the Russian Fundamental Research Fund

Crystal growth and magnetic properties of equiatomic CeAl

Science.gov (United States)

Das, Pranab Kumar; Thamizhavel, A.

2015-03-01

Single crystal of CeAl has been grown by flux method using Ce-Al self-flux. Several needle like single crystals were obtained and the length of the needle corresponds to the [001] crystallographic direction. Powder x-ray diffraction revealed that CeAl crystallizes in orthorhombic CrB-type structure with space group Cmcm (no. 63). The magnetic properties have been investigated by means of magnetic susceptibility, isothermal magnetization, electrical transport, and heat capacity measurements. CeAl is found to order antiferromagnetically with a Neel temperature TN = 10 K. The magnetization data below the ordering temperature reveals two metamagentic transitions for fields less than 20 kOe. From the inverse magnetic susceptibility an effective moment of 2.66 μB/Ce has been estimated, which indicates that Ce is in its trivalent state. Electrical resistivity data clearly shows a sharp drop at 10 K due to the reduction of spin disorder scattering of conduction electrons thus confirming the magnetic ordering. The estimated residual resistivity ratio (RRR) is 33, thus indicating a good quality of the single crystal. The bulk nature of the magnetic ordering is also confirmed by heat capacity data. From the Schottky anomaly of the heat capacity we have estimated the crystal field level splitting energies of the (2J + 1) degenerate ground state as 25 K and 175 K respectively for the fist and second excited states.

Generation of high-field terahertz pulses in an HMQ-TMS organic crystal pumped by an ytterbium laser at 1030 nm.

Science.gov (United States)

Rovere, Andrea; Jeong, Young-Gyun; Piccoli, Riccardo; Lee, Seung-Heon; Lee, Seung-Chul; Kwon, O-Pil; Jazbinsek, Mojca; Morandotti, Roberto; Razzari, Luca

2018-02-05

We present the generation of high-peak-electric-field terahertz pulses via collinear optical rectification in a 2-(4-hydroxy-3-methoxystyryl)-1-methilquinolinium-2,4,6-trimethylbenzenesulfonate (HMQ-TMS) organic crystal. The crystal is pumped by an amplified ytterbium laser system, emitting 170-fs-long pulses centered at 1030 nm. A terahertz peak electric field greater than 200 kV/cm is obtained for 420 µJ of optical pump energy, with an energy conversion efficiency of 0.26% - about two orders of magnitude higher than in common inorganic crystals collinearly pumped by amplified femtosecond lasers. An open-aperture Z-scan measurement performed on an n-doped InGaAs thin film using such terahertz source shows a nonlinear increase in the terahertz transmission of about 2.2 times. Our findings demonstrate the potential of this terahertz generation scheme, based on ytterbium laser technology, as a simple and efficient alternative to the existing intense table-top terahertz sources. In particular, we show that it can be readily used to explore nonlinear effects at terahertz frequencies.

Photonic crystal fibers

DEFF Research Database (Denmark)

Lægsgaard, Jesper; Hansen, K P; Nielsen, M D

2003-01-01

Photonic crystal fibers having a complex microstructure in the transverse plane constitute a new and promising class of optical fibers. Such fibers can either guide light through total internal reflection or the photonic bandgap effect, In this paper, we review the different types and applications...... of photonic crystal fibers with particular emphasis on recent advances in the field....

Precipitation of thin-film organic single crystals by a novel crystal growth method using electrospray and ionic liquid film

Science.gov (United States)

Ueda, Hiroyuki; Takeuchi, Keita; Kikuchi, Akihiko

2018-04-01

We report an organic single crystal growth technique, which uses a nonvolatile liquid thin film as a crystal growth field and supplies fine droplets containing solute from the surface of the liquid thin film uniformly and continuously by electrospray deposition. Here, we investigated the relationships between the solute concentration of the supplied solution and the morphology and size of precipitated crystals for four types of fluorescent organic low molecule material [tris(8-hydroxyquinoline)aluminum (Alq3), 2-(4-biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole (PBD), N,N‧-bis(3-methylphenyl)-N,N‧-diphenylbenzidine (TPD), and N,N-bis(naphthalene-1-yl)-N,N-diphenyl-benzidine (NPB)] using an ionic liquid as the nonvolatile liquid. As the concentration of the supplied solution decreased, the morphology of precipitated crystals changed from dendritic or leaf shape to platelike one. At the solution concentration of 0.1 mg/ml, relatively large platelike single crystals with a diagonal length of over 100 µm were obtained for all types of material. In the experiment using ionic liquid and dioctyl sebacate as nonvolatile liquids, it was confirmed that there is a clear positive correlation between the maximum volume of the precipitated single crystal and the solubility of solute under the same solution supply conditions.

Measurement of Coherent Emission and Linear Polarization of Photons by Electrons in the Strong Fields of Aligned Crystals

CERN Document Server

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

2004-01-01

We present new results regarding the features of high energy photon emission by an electron beam of 178 GeV penetrating a 1.5 cm thick single Si crystal aligned at the Strings-Of-Strings (SOS) orientation. This concerns a special case of coherent bremsstrahlung where the electron interacts with the strong fields of successive atomic strings in a plane and for which the largest enhancement of the highest energy photons is expected. The polarization of the resulting photon beam was measured by the asymmetry of electron-positron pair production in an aligned diamond crystal analyzer. By the selection of a single pair the energy and the polarization of individual photons could be measured in an the environment of multiple photons produced in the radiator crystal. Photons in the high energy region show less than 20% linear polarization at the 90% confidence level.

The random field Blume-Capel model revisited

Science.gov (United States)

Santos, P. V.; da Costa, F. A.; de Araújo, J. M.

2018-04-01

We have revisited the mean-field treatment for the Blume-Capel model under the presence of a discrete random magnetic field as introduced by Kaufman and Kanner (1990). The magnetic field (H) versus temperature (T) phase diagrams for given values of the crystal field D were recovered in accordance to Kaufman and Kanner original work. However, our main goal in the present work was to investigate the distinct structures of the crystal field versus temperature phase diagrams as the random magnetic field is varied because similar models have presented reentrant phenomenon due to randomness. Following previous works we have classified the distinct phase diagrams according to five different topologies. The topological structure of the phase diagrams is maintained for both H - T and D - T cases. Although the phase diagrams exhibit a richness of multicritical phenomena we did not found any reentrant effect as have been seen in similar models.

Crystal growth of uranium compounds and study of UGe2

International Nuclear Information System (INIS)

Taufour, V.

2011-01-01

In this thesis, the study on the superconducting ferromagnet UGe 2 is presented. Crystal growth of UGe 2 single crystals was realized in a tetra-arc furnace using the Czochralski technique. This technique was also used to obtain high quality single crystals of other uranium compounds, notably UCoGe and URu 2 Si 2 . The Curie temperature of UGe 2 (T(Curie) = 53 K) decreases with pressure and is suppressed at p c = 1.5 GPa. Before being suppressed, the ferromagnetic transition changes from second to first order at a tricritical point. Precise resistivity and Hall resistivity measurements under pressure and magnetic field revealed the position of the tricritical point as well as its evolution under magnetic field which draw a wing structure phase diagram. Despite the theoretical prediction that this diagram is general for a ferromagnet, here we present the first experimental observation. Other measurements focus on the superconductivity (T sc = 0.75 K) which coexists with ferromagnetism under pressure. The bulk nature of the superconductivity is investigated by AC calorimetry measurements under pressure. The attention is turned to the interesting phenomenon of field enhanced superconductivity. (author) [fr

Emergence of periodic order in electric-field-driven planar nematic liquid crystals: An exclusive ac effect absent in static fields

Science.gov (United States)

Krishnamurthy, K. S.; Kumar, Pramoda

2007-11-01

We report, for a nematic liquid crystal with a low conductivity anisotropy, an ac field generated transition from a uniformly planar to a periodically modulated director configuration with the wave vector parallel to the initial director. Significantly, with unblocked electrodes, this instability is not excited by dc fields. Additionally, in very low frequency square wave fields, it occurs transiently after each polarity reversal, vanishing completely during field constancy. The time of occurrence of maximum distortion after polarity reversal decreases exponentially with voltage. The time dependence of optical phase change during transient distortion is nearly Gaussian. The pattern threshold Vc is linear in f , f denoting the frequency; the critical wave number qc of the modulation scales nearly linearly as f to a peak at ˜50Hz before falling slightly thereafter. The observed Vc(f) and qc(f) characteristics differ from the predictions of the standard model (SM). The instability may be interpreted as a special case of the Carr-Helfrich distortion suppressed in static fields due to weak charge focusing and strong charge injection. Its transient nature in the low frequency regime is suggestive of the possible role of gradient flexoelectric effect in its occurrence. The study includes measurement of certain elastic and viscosity parameters relevant to the application of the SM.

A single-gap transflective fringe field switching display using a liquid crystal with positive dielectric anisotropy

International Nuclear Information System (INIS)

Lim, Young Jin; Lee, Myong-Hoon; Lee, Gi-Dong; Jang, Won-Gun; Lee, Seung Hee

2007-01-01

There is considerable difficulty in fabricating a reflector with embossing in an array substrate using a conventional single gap transflective fringe-field switching nematic liquid-crystal display. In order to solve this problem, we propose a new structure, which consists of a reflector on a colour filter substrate. The newly proposed structure with a complex field direction has problems such that the voltage-dependent transmittance and reflectance curves do not match each other, which necessitate a dual driving circuit. This paper reports the optimized electrode structure and calculated electro-optical results realizing a single gamma curve and high light efficiency

Low magnification differential phase contrast imaging of electric fields in crystals with fine electron probes

Energy Technology Data Exchange (ETDEWEB)

Taplin, D.J. [School of Physics and Astronomy, Monash University, Clayton, Victoria 3800 (Australia); Shibata, N. [Institute of Engineering Innovation, School of Engineering, University of Tokyo, Tokyo 113-8656 (Japan); Weyland, M. [Monash Centre for Electron Microscopy, Monash University, Clayton, Victoria 3800 (Australia); Department of Materials Science and Engineering, Monash University, Clayton, Victoria 3800 (Australia); Findlay, S.D., E-mail: scott.findlay@monash.edu [School of Physics and Astronomy, Monash University, Clayton, Victoria 3800 (Australia)

2016-10-15

To correlate atomistic structure with longer range electric field distribution within materials, it is necessary to use atomically fine electron probes and specimens in on-axis orientation. However, electric field mapping via low magnification differential phase contrast imaging under these conditions raises challenges: electron scattering tends to reduce the beam deflection due to the electric field strength from what simple models predict, and other effects, most notably crystal mistilt, can lead to asymmetric intensity redistribution in the diffraction pattern which is difficult to distinguish from that produced by long range electric fields. Using electron scattering simulations, we explore the effects of such factors on the reliable interpretation and measurement of electric field distributions. In addition to these limitations of principle, some limitations of practice when seeking to perform such measurements using segmented detector systems are also discussed. - Highlights: • Measuring electric fields by on-axis electron diffraction is explored by simulation. • Electron channelling reduces deflection predicted by the phase object approximation. • First moment measurements cannot distinguish electric fields from specimen mistilt. • Segmented detector estimates are fairly insensitive to camera length and orientation.

Polarization singularities of optical fields caused by structural dislocations in crystals

International Nuclear Information System (INIS)

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

2013-01-01

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

Revealing the consequences and errors of substance arising from the inverse confusion between the crystal (ligand) field quantities and the zero-field splitting ones

Energy Technology Data Exchange (ETDEWEB)

Rudowicz, Czesław, E-mail: crudowicz@zut.edu.pl [Institute of Physics, West Pomeranian University of Technology, Al. Piastów 17, 70-310 Szczecin (Poland); Karbowiak, Mirosław [Faculty of Chemistry, University of Wrocław, ul. F. Joliot-Curie 14, 50-383 Wrocław (Poland)

2015-01-01

Survey of recent literature has revealed a doubly-worrying tendency concerning the treatment of the two distinct types of Hamiltonians, namely, the physical crystal field (CF), or equivalently ligand field (LF), Hamiltonians and the zero-field splitting (ZFS) Hamiltonians, which appear in the effective spin Hamiltonians (SH). The nature and properties of the CF (LF) Hamiltonians have been mixed up in various ways with those of the ZFS Hamiltonians. Such cases have been identified in a rapidly growing number of studies of the transition-ion based systems using electron magnetic resonance (EMR), optical spectroscopy, and magnetic measurements. These findings have far ranging implications since these Hamiltonians are cornerstones for interpretation of magnetic and spectroscopic properties of the single transition ions in various crystals or molecules as well as the exchange coupled systems (ECS) of transition ions, e.g. single molecule magnets (SMM) or single ion magnets (SIM). The seriousness of the consequences of such conceptual problems and related terminological confusions has reached a level that goes far beyond simple semantic issues or misleading keyword classifications of papers in journals and scientific databases. The prevailing confusion, denoted as the CF=ZFS confusion, pertains to the cases of labeling the true ZFS quantities as purportedly the CF (LF) quantities. Here we consider the inverse confusion between the CF (LF) quantities and the SH (ZFS) ones, denoted the ZFS=CF confusion, which consists in referring to the parameters (or Hamiltonians), which are the true CF (LF) quantities, as purportedly the ZFS (or SH) quantities. Specific cases of the ZFS=CF confusion identified in recent textbooks, reviews and papers, especially SMM- and SIM-related ones, are surveyed and the pertinent misconceptions are clarified. The serious consequences of the terminological confusions include misinterpretation of data from a wide range of experimental techniques and

Magneto-optic dynamics in a ferromagnetic nematic liquid crystal