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Sample records for crystal field

  1. Lectures on Crystal Field Theory

    DTIC Science & Technology

    1982-11-01

    used to calculate the electric dipole transition probabilities using the theory of Judd (1962) and Ofelt (1962)o As of 1970, all these objectives had...metry higher than C1 or C•. (4) The calculation of transltion probabilities, Zeeman splitting factors, Judd - Ofelt intensity parameters, branching ratios...INTERACTIONS ..................................... 37 4.1 Phenomenological Theory of Crystal Fields ................ 37 4.1.1 Matrix Elements of H in J States

  2. Crystal fields of porphyrins and phthalocyanines

    NASA Astrophysics Data System (ADS)

    Johnson, P. S.; Boukahil, I.; Himpsel, F. J.; Kennedy, C.; Jersett, N.; Cook, P. L.; Garcia-Lastra, J. M.

    2014-03-01

    Polarization-dependent X-ray absorption spectroscopy at the N 1s and metal 2p edges is combined with density functional and atomic multiplet calculations to determine the crystal field parameters 10Dq, Ds, and Dt of transition metal (Mn, Fe, Co, Ni) phthalocyanines and octaethylporphyrins. Octaethyl porphyrins are observed to lie flat on Si with native oxide, while phthalocyanines lie on edge. Strong polarization dependence is found at all edges, which facilitates a unique determination of the crystal field parameters. Crystal field values from PBE density functional calculations provide helpful starting values, which are refined by fitting atomic multiplet calculations to the data. Since the crystal field affects electron-hole separation in solar cells, the systematic set of crystal field parameters obtained here can be useful for optimizing dyes for solar cells.

  3. Crystal growth under external electric fields

    SciTech Connect

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

    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.

  4. Phase-field-crystal model for ordered crystals

    NASA Astrophysics Data System (ADS)

    Alster, Eli; Elder, K. R.; Hoyt, Jeffrey J.; Voorhees, Peter W.

    2017-02-01

    We describe a general method to model multicomponent ordered crystals using the phase-field-crystal (PFC) formalism. As a test case, a generic B2 compound is investigated. We are able to produce a line of either first-order or second-order order-disorder phase transitions, features that have not been incorporated in existing PFC approaches. Further, it is found that the only elastic constant for B2 that depends on ordering is C11. This B2 model is then used to study antiphase boundaries (APBs). The APBs are shown to reproduce classical mean-field results. Dynamical simulations of ordering across small-angle grain boundaries predict that dislocation cores pin the evolution of APBs.

  5. Crystal fields in UO2 - revisited

    SciTech Connect

    Nakotte, Heinz; Rajatram, R; Mcqueeney, R J; Lander, G H; Robinson, R A

    2009-01-01

    We performed inelastic neutron scattering (INS) in order to re-investigate the crystal-field ground state and the level splitting in UO{sub 2}. Previous INS studies on UO{sub 2} by Amorelli et al. [Physical Review B 15, 1989, 1856] uncovered four excitations at low temperatures in the 150-180 meV range. Considering the dipole-allowed transitions, only three of these transitions could be explained by the published crystal-field model. Our INS results on a different UO{sub 2} sample revealed that the unaccounted peak at about 180 meV is a spurious one, and thus not intrinsic to UO{sub 2}. In good agreement with Amoretti's results, we corroborated that the ground-state of UO{sub 2} is the {Lambda}{sub 5} triplet, and we computed that the fourth- and six-order crystal field parameters are V{sub 4} = -116 meV and V{sub 6} = 26 meV, respectively. We also studied the INS response of the non-magnetic U{sub 0.4}Th{sub 0.6}O{sub 2}. The splitting for this thorium-doped compound is similar to the one of UO{sub 2}, which orders antiferromagnetically at low temperatures. Therefore, we can conclude that magnetic interactions only weakly perturb the energy level splitting, which is dominated by strong crystal fields.

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

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

    By employing the phase-field-crystal models, the atomic crystallization process of hexagonal and square crystals is investigated with the emphasis on the growth mechanism and morphological change. A unified regime describing the crystallization behavior of both crystals is obtained with the thermodynamic driving force varying. By increasing the driving force, both crystals (in the steady-state) transform from a faceted polygon to an apex-bulged polygon, and then into a symmetric dendrite. For the faceted polygon, the interface advances by a layer-by-layer (LL) mode while for the apex-bulged polygonal and the dendritic crystals, it first adopts the LL mode and then transits into the multi-layer (ML) mode in the later stage. In particular, a shift of the nucleation sites from the face center to the area around the crystal tips is detected in the early growth stage of both crystals and is rationalized in terms of the relation between the crystal size and the driving force distribution. Finally, a parameter characterizing the complex shape change of square crystal is introduced. Project supported by the National Natural Science Foundation of China (Grant Nos. 54175378, 51474176, and 51274167), the Natural Science Foundation of Shaanxi Province, China (Grant No. 2014JM7261), and the Doctoral Foundation Program of Ministry of China (Grant No. 20136102120021).

  7. Ab Initio Crystal Field for Lanthanides.

    PubMed

    Ungur, Liviu; Chibotaru, Liviu F

    2017-03-13

    An ab initio methodology for the first-principle derivation of crystal-field (CF) parameters for lanthanides is described. The methodology is applied to the analysis of CF parameters in [Tb(Pc)2 ](-) (Pc=phthalocyanine) and Dy4 K2 ([Dy(4) K(2) O(OtBu)(12) ]) complexes, and compared with often used approximate and model descriptions. It is found that the application of geometry symmetrization, and the use of electrostatic point-charge and phenomenological CF models, lead to unacceptably large deviations from predictions based on ab initio calculations for experimental geometry. It is shown how the predictions of standard CASSCF (Complete Active Space Self-Consistent Field) calculations (with 4f orbitals in the active space) can be systematically improved by including effects of dynamical electronic correlation (CASPT2 step) and by admixing electronic configurations of the 5d shell. This is exemplified for the well-studied Er-trensal complex (H3 trensal=2,2',2"-tris(salicylideneimido)trimethylamine). The electrostatic contributions to CF parameters in this complex, calculated with true charge distributions in the ligands, yield less than half of the total CF splitting, thus pointing to the dominant role of covalent effects. This analysis allows the conclusion that ab initio crystal field is an essential tool for the decent description of lanthanides.

  8. Oxidation and crystal field effects in uranium

    SciTech Connect

    Tobin, J. G.; Booth, C. H.; Shuh, D. K.; van der Laan, G.; Sokaras, D.; Weng, T. -C.; Yu, S. W.; Bagus, P. S.; Tyliszczak, T.; Nordlund, D.

    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.

  9. Effects of magnetic fields on dissolution of arthritis causing crystals

    NASA Astrophysics Data System (ADS)

    Takeuchi, Y.; Iwasaka, M.

    2015-05-01

    The number of gout patients has rapidly increased because of excess alcohol and salt intake. The agent responsible for gout is the monosodium urate (MSU) crystal. MSU crystals are found in blood and consist of uric acid and sodium. As a substitute for drug dosing or excessive water intake, physical stimulation by magnetic fields represents a new medical treatment for gout. In this study, we investigated the effects of a magnetic field on the dissolution of a MSU crystal suspension. The white MSU crystal suspension was dissolved in an alkaline solution. We measured the light transmission of the MSU crystal suspension by a transmitted light measuring system. The magnetic field was generated by a horizontal electromagnet (maximum field strength was 500 mT). The MSU crystal suspension that dissolved during the application of a magnetic field of 500 mT clearly had a higher dissolution rate when compared with the control sample. We postulate that the alkali solution promoted penetration upon diamagnetic rotation and this magnetic field orienting is because of the pronounced diamagnetic susceptibility anisotropy of the MSU crystal. The results indicate that magnetic fields represent an effective gout treatment approach.

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

    SciTech Connect

    Koizumi, H.; Uda, S.; Fujiwara, K.; Nozawa, J.; Tachibana, M.; Kojima, K.

    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.

  11. Photonic crystal fiber sensor for magnetic field detection

    NASA Astrophysics Data System (ADS)

    Quintero, Sully M. M.; Martelli, Cicero; Kato, Carla C.; Valente, Luiz C. G.; Braga, Arthur M. B.

    2010-09-01

    A magnetic field sensor comprised of a high birefringence photonic crystal fiber coated by a Terfenol-D/Epoxy composite layer is proposed. Magnetic fields induce strains in the magnetostrictive composite that are transferred to the fiber interfering with light propagation. The sensitivity of the developed sensor with magnetic fields is measured to be 6 pm mT-1.

  12. Magnetic Fields and the Crystallization of White Dwarfs

    NASA Astrophysics Data System (ADS)

    Isern, J.; García-Berro, E.; Külebi, B.; Lorén-Aguilar, P.

    2017-03-01

    The evolution of white dwarfs can be described as a cooling process. When the temperature is low enough, the interior experiences a phase transition and crystallizes. Crystallization introduces two new sources of energy, latent heat and chemical sedimentation, and induces the formation of a convective mantle around the solid core. This structure, which is analogous to that of the Earth, could induce the formation of a magnetic field via dynamo mechanism. In this work we discuss the viability of such mechanism, and its use as a diagnostic tool of crystallization.

  13. Crystal field spectra of lunar pyroxenes.

    NASA Technical Reports Server (NTRS)

    Burns, R. G.; Abu-Eid, R. M.; Huggins, F. E.

    1972-01-01

    Absorption spectra in the visible and near infrared regions have been obtained for pyroxene single crystals in rocks from the Apollo 11, 12, 14, and 15 missions. The polarized spectra are compared with those obtained from terrestrial calcic clinopyroxenes, subcalcic augites, pigeonites, and orthopyroxenes. The lunar pyroxenes contain several broad, intense absorption bands in the near infrared, the positions of which are related to bulk composition, Fe(2+) site occupancy and structure type of the pyroxene. The visible spectra contain several sharp, weak peaks mainly due to spin-forbidden transitions in Fe(2+). Additional weak bands in this region in Apollo 11 pyroxenes are attributed to Ti(3+) ions. Spectral features from Fe(3+), Mn(2+), Cr(3+), and Cr(2+) were not observed.

  14. Magnetic Field Applications in Semiconductor Crystal Growth and Metallurgy

    NASA Technical Reports Server (NTRS)

    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

  15. Relaxation Dynamics of Ferroelectric Liquid Crystals in Pulsed Electric Field

    NASA Astrophysics Data System (ADS)

    Kudreyko, A. A.; Migranov, N. G.; Migranova, D. N.

    2016-11-01

    In this contribution we report a theoretical study of relaxation processes in surface-stabilized ferroelectric liquid crystals with spontaneous polarization. The influence of pulsed electric field on the behavior of ferroelectric liquid crystal in the SmC* phase, which is placed in a thin cell with strong anchoring of SmC* molecules with the boundary substrate, is studied. In the vicinity of the substrate interface, temporal dependence of the azimuthal motion of the director induced by electric field is obtained. The response to the external distortion of ferroelectric liquid crystal confined between two microstructured substrates is the occurrence of periodic temporal formation of solitons connected with the distortion of the director field n in the sample bulk. The interplay between microstructured substrates and director distribution of the ferroelectric SmC* phase is explained by the Frenkel-Kontorova model for a chain of atoms, but adapted for the continuum problem.

  16. Electromagnetic field patterning or crystal light

    NASA Astrophysics Data System (ADS)

    Słupski, Piotr; Wymysłowski, Artur; Czarczyński, Wojciech

    2016-12-01

    Using the orbital angular momentum of light for the development of a vortex interferometer, the underlying physics requires microwave/RF models,1 as well as quantum mechanics for light1, 2 and fluid flow for semiconductor devices.3, 4 The combination of the aforementioned physical models yields simulations and results such as optical lattices,1 or an Inverse Farday effect.5 The latter is explained as the absorption of optical angular momentum, generating extremely high instantenous magnetic fields due to radiation friction. An algorithmic reduction across the computational methods used in microwaves, lasers, quantum optics and holography is performed in order to explain electromagnetic field interactions in a single computational framework. This work presents a computational model for photon-electron interactions, being a simplified gauge theory described using differentials or disturbances (photons) instead of integrals or fields. The model is based on treating the Z-axis variables as a Laplace fluid with spatial harmonics, and the XY plane as Maxwell's equations on boundaries. The result is a unified, coherent, graphical computational method of describing the photon qualitatively, quantitatively and with proportion. The model relies on five variables and is described using two equations, which use emitted power, cavity wavelength, input frequency, phase and time. Phase is treated as a rotated physical dimension under gauge theory of Feynmann's QED. In essence, this model allows the electromagnetic field to be treated with it's specific crystallography. The model itself is described in Python programming language. PACS 42.50.Pq, 31.30.J-, 03.70.+k, 11.10.-z, 67.10.Hk

  17. Electromagnetic Field Effects in Semiconductor Crystal Growth

    NASA Technical Reports Server (NTRS)

    Dulikravich, George S.

    1996-01-01

    This proposed two-year research project was to involve development of an analytical model, a numerical algorithm for its integration, and a software for the analysis of a solidification process under the influence of electric and magnetic fields in microgravity. Due to the complexity of the analytical model that was developed and its boundary conditions, only a preliminary version of the numerical algorithm was developed while the development of the software package was not completed.

  18. Bridgman Growth of Germanium Crystals in a Rotating Magnetic Field

    NASA Technical Reports Server (NTRS)

    Volz, M. P.; Schweizer, M.; Cobb, S. D.; Walker, J. S.; Szofran, F. R.; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    A series of (100)-oriented gallium-doped germanium crystals have been grown by the Bridgman method and under the influence of a rotating magnetic field (RMF). The RMF has a marked affect on the interface shape, changing it from concave to nearly flat. The onset of time-dependent flow instabilities occurs when the critical magnetic Taylor number is exceeded, and this can be observed by noting the appearance of striations in the grown crystals. The critical magnetic Taylor number is a sensitive function of the aspect ratio and, as the crystal grows under a constant applied magnetic field, the induced striations change from nonperiodic to periodic, undergo a period-doubling transition, and then cease to exist. Also, by pulsing the RMF on and off, it is shown that intentional interface demarcations can be introduced.

  19. Liquid crystal infiltrated photonic crystal fibers for electric field intensity measurements.

    PubMed

    Mathews, Sunish; Farrell, Gerald; Semenova, Yuliya

    2011-06-10

    The application of nematic liquid crystal infiltrated photonic crystal fiber as a sensor for electric field intensity measurement is demonstrated. The device is based on an intrinsic sensing mechanism for electric fields. The sensor probe, which consists of a 1  cm infiltrated section of photonic crystal fiber with a lateral size of ∼125  μm, is very compact with small size and weight. A simple all-fiber design for the sensor is employed in an intensity based measurement scheme. The transmitted and reflected power of the infiltrated photonic crystal fiber is shown to have a linear response with the applied electric field. The sensor is operated in the telecommunication window at 1550  nm. The temperature dependence of the device at this operating wavelength is also experimentally studied and discussed. These structures can be used to accurately measure electric field intensity and can be used for the fabrication of all-fiber sensors for high electric field environments as both an in-line and reflective type point sensor.

  20. Reflective liquid crystal light valve with hybrid field effect mode

    NASA Technical Reports Server (NTRS)

    Boswell, Donald D. (Inventor); Grinberg, Jan (Inventor); Jacobson, Alexander D. (Inventor); Myer, Gary D. (Inventor)

    1977-01-01

    There is disclosed a high performance reflective mode liquid crystal light valve suitable for general image processing and projection and particularly suited for application to real-time coherent optical data processing. A preferred example of the device uses a CdS photoconductor, a CdTe light absorbing layer, a dielectric mirror, and a liquid crystal layer sandwiched between indium-tin-oxide transparent electrodes deposited on optical quality glass flats. The non-coherent light image is directed onto the photoconductor; this reduces the impedance of the photoconductor, thereby switching the AC voltage that is impressed across the electrodes onto the liquid crystal to activate the device. The liquid crystal is operated in a hybrid field effect mode. It utilizes the twisted nematic effect to create a dark off-state (voltage off the liquid crystal) and the optical birefringence effect to create the bright on-state. The liquid crystal thus modulates the polarization of the coherent read-out or projection light responsively to the non-coherent image. An analyzer is used to create an intensity modulated output beam.

  1. Field stability of piezoelectric shear properties in PIN-PMN-PT crystals under large drive field.

    PubMed

    Zhang, Shujun; Li, Fei; Luo, Jun; Xia, Ru; Hackenberger, Wesley; Shrout, Thomas

    2011-02-01

    The coercive fields (E(C)) of Pb(In₀.₅Nb₀.₅)O₃-Pb(Mg(¹/₃)Nb(²/₃)O₃-PbTiO₃ (PIN-PMN-PT) ternary single crystals were found to be 5 kV/cm, double the value of binary Pb(Mg(¹/₃)Nb(²/₃)O₃-PbTiO₃ (PMNT) crystals, further increased to 6 to 9 kV/cm using Mn modifications. In addition to an increased EC, the acceptor modification resulted in the developed internal bias (E(int)), on the order of ~1 kV/cm. The piezoelectric shear properties of unmodified and Mn-modified PIN-PMN-PT crystals with various domain configurations were investigated. The shear piezoelectric coefficients and electromechanical coupling factors for different domain configurations were found to be >2000 pC/N and >0.85, respectively, with slightly reduced properties observed in Mn-modified tetragonal crystals. Fatigue/cycling tests performed on shearmode samples as a function of ac drive field level demonstrated that the allowable ac field levels (the maximum applied ac field before the occurrence of depolarization) were only ~2 kV/cm for unmodified crystals, less than half of their coercive field. Allowable ac drive levels were on the order of 4 to 6 kV/cm for Mn-modified crystals with rhombohedral/orthorhombic phase, further increased to 5 to 8 kV/cm in tetragonal crystals, because of their higher coercive fields. It is of particular interest that the allowable ac drive field level for Mn-modified crystals was found to be ≥ 60% of their coercive fields, because of the developed E(int), induced by the acceptor-oxygen vacancy defect dipoles.

  2. TOPICAL REVIEW: Organic field-effect transistors using single crystals

    NASA Astrophysics Data System (ADS)

    Hasegawa, Tatsuo; Takeya, Jun

    2009-04-01

    Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs), the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20-40 cm2 Vs-1, achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR) measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps.

  3. Organic field-effect transistors using single crystals.

    PubMed

    Hasegawa, Tatsuo; Takeya, Jun

    2009-04-01

    Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs), the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20-40 cm(2) Vs(-1), achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR) measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps.

  4. Organic field-effect transistors using single crystals

    PubMed Central

    Hasegawa, Tatsuo; Takeya, Jun

    2009-01-01

    Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for ‘plastic electronics’. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs), the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20–40 cm2 Vs−1, achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR) measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps. PMID:27877287

  5. Generation of Unprecedented high Electric Fields with Pyroelectric Crystals

    NASA Astrophysics Data System (ADS)

    Crimi, Sarah; Tornow, Werner; Corse, Zach

    2009-10-01

    Since a few years pyroelectric crystals in a deuterium gas environment have been used to produce neutrons via the ^2H(d,n)^3He reaction. The figure-of-merit for neutron production in the energy region of interest is about IE^3/2, where I is the deuterium ion current and E is the associated ion energy. Therefore, it is important to maximize E. Using single and double crystal arrangements with electric field enhancing nano-tips, the highest positive potentials reported in the literature were 115 keV [1] and 250 keV [2], respectively. Using longer LiTaO3 crystals than commonly employed (2.5 cm versus 1.0 cm) and without attaching a nano-tip, we have produced positive deuterium ion beams of energies up to 325 keV with a single crystal during the cooling phase from 130 ^oC to 0 ^oC. In a double crystal arrangement we have obtained positive ion energies of up to 390 keV. Details of our experimental approach will be presented.[4pt] [1] B. Naranjo et al., Nature 434, 1115 (2005).[0pt] [2] D. Gillich et al., Nucl. Instr. Meth. in Phys. Res. A 602, 306 (2009).

  6. Pulsed zero field NMR of solids and liquid crystals

    SciTech Connect

    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.

  7. Magnetic field measurements based on Terfenol coated photonic crystal fibers.

    PubMed

    Quintero, Sully M M; Martelli, Cicero; Braga, Arthur M B; Valente, Luiz C G; Kato, Carla C

    2011-01-01

    A magnetic field sensor based on the integration of a high birefringence photonic crystal fiber and a composite material made of Terfenol particles and an epoxy resin is proposed. An in-fiber modal interferometer is assembled by evenly exciting both eigenemodes of the HiBi fiber. Changes in the cavity length as well as the effective refractive index are induced by exposing the sensor head to magnetic fields. The magnetic field sensor has a sensitivity of 0.006 (nm/mT) over a range from 0 to 300 mT with a resolution about ±1 mT. A fiber Bragg grating magnetic field sensor is also fabricated and employed to characterize the response of Terfenol composite to the magnetic field.

  8. Low-frequency electromagnetic field in a Wigner crystal

    SciTech Connect

    Stupka, Anton

    2013-03-15

    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.

  9. Semiconductor Crystal Growth in Static and Rotating Magnetic fields

    NASA Technical Reports Server (NTRS)

    Volz, Martin

    2004-01-01

    Magnetic fields have been applied during the growth of bulk semiconductor crystals to control the convective flow behavior of the melt. A static magnetic field established Lorentz forces which tend to reduce the convective intensity in the melt. At sufficiently high magnetic field strengths, a boundary layer is established ahead of the solid-liquid interface where mass transport is dominated by diffusion. This can have a significant effect on segregation behavior and can eliminate striations in grown crystals resulting from convective instabilities. Experiments on dilute (Ge:Ga) and solid solution (Ge-Si) semiconductor systems show a transition from a completely mixed convective state to a diffusion-controlled state between 0 and 5 Tesla. In HgCdTe, radial segregation approached the diffusion limited regime and the curvature of the solid-liquid interface was reduced by a factor of 3 during growth in magnetic fields in excess of 0.5 Tesla. Convection can also be controlled during growth at reduced gravitational levels. However, the direction of the residual steady-state acceleration vector can compromise this effect if it cannot be controlled. A magnetic field in reduced gravity can suppress disturbances caused by residual transverse accelerations and by random non-steady accelerations. Indeed, a joint program between NASA and the NHMFL resulted in the construction of a prototype spaceflight magnet for crystal growth applications. An alternative to the suppression of convection by static magnetic fields and reduced gravity is the imposition of controlled steady flow generated by rotating magnetic fields (RMF)'s. The potential benefits of an RMF include homogenization of the melt temperature and concentration distribution, and control of the solid-liquid interface shape. Adjusting the strength and frequency of the applied magnetic field allows tailoring of the resultant flow field. A limitation of RMF's is that they introduce deleterious instabilities above a

  10. Subsurface Stress Fields In Single Crystal (Anisotropic) Contacts

    NASA Technical Reports Server (NTRS)

    Arakere, Nagaraj K.; Knudsen, Erik C.; Duke, Greg; Battista, Gilda; Swanson, Greg

    2004-01-01

    Single crystal superalloy turbine blades used in high pressure turbomachinery are subject to conditions of high temperature, triaxial steady and alternating stresses, fretting stresses in the blade attachment and damper contact locations, and exposure to high-pressure hydrogen. The blades are also subjected to extreme variations in temperature during start-up and shutdown transients. The most prevalent HCF failure modes observed in these blades during operation include crystallographic crack initiation/propagation on octahedral planes, and noncrystallographic initiation with crystallographic growth. Numerous cases of crack initiation and crack propagation at the blade leading edge tip, blade attachment regions, and damper contact locations have been documented. Understanding crack initiation/propagation under mixed-mode loading conditions is critical for establishing a systematic procedure for evaluating HCF life of single crystal turbine blades. This paper presents analytical and numerical techniques for evaluating two and three dimensional subsurface stress fields in anisotropic contacts. The subsurface stress results are required for evaluating contact fatigue life at damper contacts and dovetail attachment regions in single crystal nickel-base superalloy turbine blades. An analytical procedure is , presented, for evaluating the subsurface stresses in the elastic half-space, using a complex potential method outlined by Lekhnitskii. Numerical results are presented for cylindrical and spherical anisotropic contacts, using finite element analysis. Effects of crystal orientation on stress response and fatigue life are examined.

  11. Phase-field-crystal model for fcc ordering.

    PubMed

    Wu, Kuo-An; Adland, Ari; Karma, Alain

    2010-06-01

    We develop and analyze a two-mode phase-field-crystal model to describe fcc ordering. The model is formulated by coupling two different sets of crystal density waves corresponding to <111> and <200> reciprocal lattice vectors, which are chosen to form triads so as to produce a simple free-energy landscape with coexistence of crystal and liquid phases. The feasibility of the approach is demonstrated with numerical examples of polycrystalline and (111) twin growth. We use a two-mode amplitude expansion to characterize analytically the free-energy landscape of the model, identifying parameter ranges where fcc is stable or metastable with respect to bcc. In addition, we derive analytical expressions for the elastic constants for both fcc and bcc. Those expressions show that a nonvanishing amplitude of [200] density waves is essential to obtain mechanically stable fcc crystals with a nonvanishing tetragonal shear modulus (C11-C12)/2. We determine the model parameters for specific materials by fitting the peak liquid structure factor properties and solid-density wave amplitudes following the approach developed for bcc [K.-A. Wu and A. Karma, Phys. Rev. B 76, 184107 (2007)]. This procedure yields reasonable predictions of elastic constants for both bcc Fe and fcc Ni using input parameters from molecular dynamics simulations. The application of the model to two-dimensional square lattices is also briefly examined.

  12. Field-Effects in Large Axial Ratio Liquid Crystals

    NASA Astrophysics Data System (ADS)

    Lonberg, Franklin J.

    This paper consists of an introduction and four chapters, the abstracts of which are presented below. Chapter 2. The subject of this chapter is the dynamic periodic structures which are observed in the twist Frederiks transition. It is found that, for fields above a material dependent level, a transient periodic distortion is observed. The wave vector is parallel to the unperturbed director and increases with increasing field. A theoretical model and experimental data are presented. Chapter 3. The subject of this chapter is the discovery of a new equilibrium structure in the splay Frederiks transition. Experimental observation has shown that the imposition of a field, just above the critical strength, produces a periodic distortion in the polymer liquid crystal PBG. This periodic state is not dynamic in origin but it is a true ground state. An analysis of the energy of a liquid crystal, in the splay Frederiks transition geometry, shows that in materials with K(,1)/K(,3) > 3.3 the periodic distortion will have a lower critical field than the uniform distortion. Chapter 4. The subject of this chapter is the dynamics of the bend Frederiks transition in large axial ratio nematics. Experimental evidence is presented to show that there is a distortion mode which occurs at field greater than 2H(,c), which is very fast and does not grow exponentially. An analysis of the equations of motion shows that a mode with wave length half that of the static equilibrium mode will have these properties. Chapter 5. The bend Frederiks transition is use to show that the bend and splay elastic constants are linear in concentration in PBG. Interpretation of this result is made in connection with models of the elastic energy in liquid crystal made of semi-flexible partiles.

  13. Characterizing ice crystal growth behavior under electric field using phase field method.

    PubMed

    He, Zhi Zhu; Liu, Jing

    2009-07-01

    In this article, the microscale ice crystal growth behavior under electrostatic field is investigated via a phase field method, which also incorporates the effects of anisotropy and thermal noise. The multiple ice nuclei's competitive growth as disclosed in existing experiments is thus successfully predicted. The present approach suggests a highly efficient theoretical tool for probing into the freeze injury mechanisms of biological material due to ice formation during cryosurgery or cryopreservation process when external electric field was involved.

  14. Liquid Crystals for Organic Field-Effect Transistors

    NASA Astrophysics Data System (ADS)

    O'Neill, Mary; Kelly, Stephen M.

    Columnar, smectic and lamellar polymeric liquid crystals are widely recognized as very promising charge-transporting organic semiconductors due to their ability to spontaneously self-assemble into highly ordered domains in uniform thin films over large areas. The transport properties of smectic and columnar liquid crystals are discussed in Chaps. 2 (10.1007/978-90-481-2873-0_2) and 3 (10.1007/978-90-481-2873-0_3). Here we examine their application to organic field-effect transistors (OFETs): after a short introduction in Sect. 9.1 we introduce the OFET configuration and show how the mobility is measured in Sect. 9.2. Section 9.3 discusses polymeric liquid crystalline semiconductors in OFETs. We review research that shows that annealing of polymers in a fluid mesophase gives a more ordered microcrystalline morphology on cooling than that kinetically determined by solution processing of the thin film. We also demonstrate the benefits of monodomain alignment and show the application of liquid crystals in light-emitting field-effect transistors. Some columnar and smectic phases are highly ordered with short intermolecular separation to give large π-π coupling. We discuss their use in OFETs in Sects. 9.4, and 9.5 respectively. Section 9.6 summarises the conclusions of the chapter.

  15. Phase-field crystal model with a vapor phase

    NASA Astrophysics Data System (ADS)

    Schwalbach, Edwin J.; Warren, James A.; Wu, Kuo-An; Voorhees, Peter W.

    2013-08-01

    Phase-field crystal (PFC) models are able to resolve atomic length scale features of materials during temporal evolution over diffusive time scales. Traditional PFC models contain solid and liquid phases, however many important materials processing phenomena involve a vapor phase as well. In this work, we add a vapor phase to an existing PFC model and show realistic interfacial phenomena near the triple point temperature. For example, the PFC model exhibits density oscillations at liquid-vapor interfaces that compare favorably to data available for interfaces in metallic systems from both experiment and molecular-dynamics simulations. We also quantify the anisotropic solid-vapor surface energy for a two-dimensional PFC hexagonal crystal and find well-defined step energies from measurements on the faceted interfaces. Additionally, the strain field beneath a stepped interface is characterized and shown to qualitatively reproduce predictions from continuum models, simulations, and experimental data. Finally, we examine the dynamic case of step-flow growth of a crystal into a supersaturated vapor phase. The ability to model such a wide range of surface and bulk defects makes this PFC model a useful tool to study processing techniques such as chemical vapor deposition or vapor-liquid-solid growth of nanowires.

  16. Phase-field crystal model with a vapor phase.

    PubMed

    Schwalbach, Edwin J; Warren, James A; Wu, Kuo-An; Voorhees, Peter W

    2013-08-01

    Phase-field crystal (PFC) models are able to resolve atomic length scale features of materials during temporal evolution over diffusive time scales. Traditional PFC models contain solid and liquid phases, however many important materials processing phenomena involve a vapor phase as well. In this work, we add a vapor phase to an existing PFC model and show realistic interfacial phenomena near the triple point temperature. For example, the PFC model exhibits density oscillations at liquid-vapor interfaces that compare favorably to data available for interfaces in metallic systems from both experiment and molecular-dynamics simulations. We also quantify the anisotropic solid-vapor surface energy for a two-dimensional PFC hexagonal crystal and find well-defined step energies from measurements on the faceted interfaces. Additionally, the strain field beneath a stepped interface is characterized and shown to qualitatively reproduce predictions from continuum models, simulations, and experimental data. Finally, we examine the dynamic case of step-flow growth of a crystal into a supersaturated vapor phase. The ability to model such a wide range of surface and bulk defects makes this PFC model a useful tool to study processing techniques such as chemical vapor deposition or vapor-liquid-solid growth of nanowires.

  17. Subsurface Stress Fields in FCC Single Crystal Anisotropic Contacts

    NASA Technical Reports Server (NTRS)

    Arakere, Nagaraj K.; Knudsen, Erik; Swanson, Gregory R.; Duke, Gregory; Ham-Battista, Gilda

    2004-01-01

    Single crystal superalloy turbine blades used in high pressure turbomachinery are subject to conditions of high temperature, triaxial steady and alternating stresses, fretting stresses in the blade attachment and damper contact locations, and exposure to high-pressure hydrogen. The blades are also subjected to extreme variations in temperature during start-up and shutdown transients. The most prevalent high cycle fatigue (HCF) failure modes observed in these blades during operation include crystallographic crack initiation/propagation on octahedral planes, and non-crystallographic initiation with crystallographic growth. Numerous cases of crack initiation and crack propagation at the blade leading edge tip, blade attachment regions, and damper contact locations have been documented. Understanding crack initiation/propagation under mixed-mode loading conditions is critical for establishing a systematic procedure for evaluating HCF life of single crystal turbine blades. This paper presents analytical and numerical techniques for evaluating two and three dimensional subsurface stress fields in anisotropic contacts. The subsurface stress results are required for evaluating contact fatigue life at damper contacts and dovetail attachment regions in single crystal nickel-base superalloy turbine blades. An analytical procedure is presented for evaluating the subsurface stresses in the elastic half-space, based on the adaptation of a stress function method outlined by Lekhnitskii. Numerical results are presented for cylindrical and spherical anisotropic contacts, using finite element analysis (FEA). Effects of crystal orientation on stress response and fatigue life are examined. Obtaining accurate subsurface stress results for anisotropic single crystal contact problems require extremely refined three-dimensional (3-D) finite element grids, especially in the edge of contact region. Obtaining resolved shear stresses (RSS) on the principal slip planes also involves

  18. Bridgman Growth of Germanium Crystals in a Rotating Magnetic Field

    NASA Technical Reports Server (NTRS)

    Volz, M. P.; Szofran, F. R.; Cobb, S. D.; Schweizer, M.; Walker, J. S.

    2005-01-01

    A series of (100)-oriented gallium-doped germanium crystals has been grown by the vertical Bridgman method and under the influence of a rotating magnetic field (RMF). Time-dependent flow instabilities occur when the critical magnetic Taylor number (Tm(sup c)) is exceeded, and this can be observed by noting the appearance of striations in the grown crystals. Tm(sup c) decreases as the aspect ratio of the melt increases, and approaches the theoretical limit expected for an infinite cylinder. Intentional interface demarcations are introduced by pulsing the RMF on and off The RMF has a marked affect on the interface shape, changing it from concave to nearly flat as the RMF strength is increased.

  19. Bridgman Growth of Germanium Crystals in a Rotating Magnetic Field

    NASA Technical Reports Server (NTRS)

    Volz, M. P.; Walker, J. S.; Schweizer, M.; Cobb, S. D.; Szofran, F. R.

    2004-01-01

    A series of (100)-oriented gallium-doped germanium crystals have been grown by the Bridgman method and under the influence of a rotating magnetic field (RMF). Time-dependent flow instabilities occur when the critical magnetic Taylor number (Tm(sup c) is exceeded, and this can be observed by noting the appearance of striations in the grown crystals. The experimental data indicate that Tm(sup c) increases as the aspect ratio of the melt decreases. Modeling calculations predicting Tm(sup c) as a function of aspect ratio are in reasonable agreement with the experimental data. The RMF has a marked affect on the interface shape, changing it from concave to nearly flat as the RMF strength is increased. Also, by pulsing the RMF on and off, it is shown that intentional interface demarcations can be introduced.

  20. Superconformal field theories from M-theory crystal lattices

    NASA Astrophysics Data System (ADS)

    Lee, Sangmin

    2007-05-01

    We propose a brane configuration for the (2+1)d, N=2 superconformal theories (CFT3) arising from M2 branes probing toric Calabi-Yau 4-fold cones, using a T-duality transformation of M theory. We obtain intersections of M5-branes on a three-torus which form a 3d bipartite crystal lattice in a way similar to the 2d dimer models for CFT4. The fundamental fields of the CFT3 are M2-brane discs localized around the intersections, and the superpotential terms are identified with the atoms of the crystal. The model correctly reproduces the Bogomol’nyi-Prasad-Sommerfield (BPS) spectrum of mesons.

  1. Magnetic measurements on single crystals of dysprosium trifluoromethanesulfonate nonahydrate; effects of crystal field perturbed energy levels

    NASA Astrophysics Data System (ADS)

    Neogy, D.; Paul, P.; Chattopadhyay, K. N.; Bisui, D.

    2002-07-01

    Magnetic susceptibility measurements on single crystals of dysprosium trifluoromethanesulfonate (DyTFMS) have been carried out from 300 K down to 13 K. The hexagonal crystal structure of DyTFMS renders the crystal uniaxial with the Kramers ion Dy 3+ occupying a site of C 3h symmetry. The principal magnetic susceptibilities, observed by us and the Friedberg group, over the wide range 300 to ˜1.0 K find an excellent theoretical simulation by the crystal field perturbed J-mixed eigenvectors with due consideration of the intermediate coupling effects. No ordering effects were noticed down to ˜13 K indicating the interionic interaction to be predominantly of the dipolar type which is consistent with the discovery of a ferromagnetic transition at T˜0.111 K by the Friedberg group. The g-values derived from other sources are reasonably accounted for. The thermal behavior of quadrupole splitting and that of electronic and nuclear heat capacities is also worked out.

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

    PubMed

    Tarp, Jens M; Angheluta, Luiza; Mathiesen, Joachim; Goldenfeld, Nigel

    2014-12-31

    Plastic deformation mediated by collective dislocation dynamics is investigated in the two-dimensional phase-field crystal model of sheared single crystals. We find that intermittent fluctuations in the dislocation population number accompany bursts in the plastic strain-rate fluctuations. Dislocation number fluctuations exhibit a power-law spectral density 1/f2 at high frequencies f. The probability distribution of number fluctuations becomes bimodal at low driving rates corresponding to a scenario where low density of defects alternates at irregular times with high populations of defects. We propose a simple stochastic model of dislocation reaction kinetics that is able to capture these statistical properties of the dislocation density fluctuations as a function of shear rate.

  3. Subsurface Stress Fields in Single Crystal (Anisotropic) Contacts

    NASA Technical Reports Server (NTRS)

    Arakere, Nagaraj K.

    2003-01-01

    Single crystal superalloy turbine blades used in high pressure turbomachinery are subject to conditions of high temperature, triaxial steady and fatigue stresses, fretting stresses in the blade attachment and damper contact locations, and exposure to high-pressure hydrogen. The blades are also subjected to extreme variations in temperature during start-up and shutdown transients. The most prevalent HCF failure modes observed in these blades during operation include crystallographic crack initiation/propagation on octahedral planes, and noncrystallographic initiation with crystallographic growth. Numerous cases of crack initiation and crack propagation at the blade leading edge tip, blade attachment regions, and damper contact locations have been documented. Understanding crack initiation/propagation under mixed-mode loading conditions is critical for establishing a systematic procedure for evaluating HCF life of single crystal turbine blades. Techniques for evaluating two and three dimensional subsurface stress fields in anisotropic contacts are presented in this report. Figure 1 shows typical damper contact locations in a turbine blade. The subsurface stress results are used for evaluating contact fatigue life at damper contacts and dovetail attachment regions in single crystal nickel-base superalloy turbine blades.

  4. Phase-field-crystal methodology for modeling of structural transformations.

    PubMed

    Greenwood, Michael; Rottler, Jörg; Provatas, Nikolas

    2011-03-01

    We introduce and characterize free-energy functionals for modeling of solids with different crystallographic symmetries within the phase-field-crystal methodology. The excess free energy responsible for the emergence of periodic phases is inspired by classical density-functional theory, but uses only a minimal description for the modes of the direct correlation function to preserve computational efficiency. We provide a detailed prescription for controlling the crystal structure and introduce parameters for changing temperature and surface energies, so that phase transformations between body-centered-cubic (bcc), face-centered-cubic (fcc), hexagonal-close-packed (hcp), and simple-cubic (sc) lattices can be studied. To illustrate the versatility of our free-energy functional, we compute the phase diagram for fcc-bcc-liquid coexistence in the temperature-density plane. We also demonstrate that our model can be extended to include hcp symmetry by dynamically simulating hcp-liquid coexistence from a seeded crystal nucleus. We further quantify the dependence of the elastic constants on the model control parameters in two and three dimensions, showing how the degree of elastic anisotropy can be tuned from the shape of the direct correlation functions.

  5. Magnetic field sensor based on coupled photonic crystal nanobeam cavities

    NASA Astrophysics Data System (ADS)

    Du, Han; Zhou, Guangya; Zhao, Yunshan; Chen, Guoqiang; Chau, Fook Siong

    2017-02-01

    We report the design, fabrication, and characterization of a resonant Lorentz force magnetic field sensor based on dual-coupled photonic crystal nanobeam cavities. Compared with microelectromechanical systems (MEMS) Lorentz force magnetometers, the proposed magnetic field sensor has an ultra-small footprint (less than 70 μm × 40 μm) and a wider operation bandwidth (of 160 Hz). The sensing mechanism is based on the resonance wavelength shift of a selected supermode of the coupled cavities, which is caused by the Lorentz force-induced relative displacement of the cavity nanobeams, and thus the optical transmission variation. The sensitivity and resolution of the device demonstrated experimentally are 22.9 mV/T and 48.1 μT/Hz1/2, respectively. The results can be further improved by optimizing the initial offset of the two nanobeams.

  6. Phase-field-crystal models and mechanical equilibrium

    NASA Astrophysics Data System (ADS)

    Heinonen, V.; Achim, C. V.; Elder, K. R.; Buyukdagli, S.; Ala-Nissila, T.

    2014-03-01

    Phase-field-crystal (PFC) models constitute a field theoretical approach to solidification, melting, and related phenomena at atomic length and diffusive time scales. One of the advantages of these models is that they naturally contain elastic excitations associated with strain in crystalline bodies. However, instabilities that are diffusively driven towards equilibrium are often orders of magnitude slower than the dynamics of the elastic excitations, and are thus not included in the standard PFC model dynamics. We derive a method to isolate the time evolution of the elastic excitations from the diffusive dynamics in the PFC approach and set up a two-stage process, in which elastic excitations are equilibrated separately. This ensures mechanical equilibrium at all times. We show concrete examples demonstrating the necessity of the separation of the elastic and diffusive time scales. In the small-deformation limit this approach is shown to agree with the theory of linear elasticity.

  7. The Effects of a Magnetic Field on the Crystallization of a Fluorozirconate Glass

    NASA Technical Reports Server (NTRS)

    Tucker, Dennis S.; Lapointe, Michael R.; Jia, Zhiyong

    2006-01-01

    An axial magnetic field of 0.1T was applied to ZrF4-BaF2-LaF3-AlF3-NaF (ZBLAN) fibers during heating to the glass crystallization temperature. Scanning electron microscopy and x-ray diffraction were used to identify crystal phases. It was shown that fibers exposed to the magnetic field did not crystallize while fibers not exposed to the field did crystallize. A hypothesis based on magnetic work was proposed to explain the results and tested by measuring the magnetic susceptibilities of the glass and crystal.

  8. Crystal field effects on interionic distance in cubic MgO crystal doped with Fe2+ ions

    NASA Astrophysics Data System (ADS)

    Ivascu, S.; Gruia, A. S.; Avram, N. M.

    2014-10-01

    The exchange charge model of crystal field was applied to determine the dependence of the crystal field strength 10Dq on interionic distances R between the Fe2+ impurity ion and O2- ligands in cubic MgO:Fe2+. The obtained results were extrapolated by the power law and was shown that 10Dq depends on R as 1/R, with n=6.3486. The deviations of these values from the value n=5 (predicted by the simple point charge model of crystal field) is explained by the covalent and exchange effects between impurity ion and ligands; the contribution of these effects into the total crystal field strength was considered separately. The 10Dq functions obtained as a result of our calculations were used for estimations of the electron-vibrational constants, Huang-Rhys parameters, and Jahn-Teller stabilization energy, and compared with available literature data.

  9. Control of active liquid crystals with a magnetic field

    PubMed Central

    Guillamat, Pau; Sagués, Francesc

    2016-01-01

    Living cells sense the mechanical features of their environment and adapt to it by actively remodeling their peripheral network of filamentary proteins, known as cortical cytoskeleton. By mimicking this principle, we demonstrate an effective control strategy for a microtubule-based active nematic in contact with a hydrophobic thermotropic liquid crystal. By using well-established protocols for the orientation of liquid crystals with a uniform magnetic field, and through the mediation of anisotropic shear stresses, the active nematic reversibly self-assembles with aligned flows and textures that feature orientational order at the millimeter scale. The turbulent flow, characteristic of active nematics, is in this way regularized into a laminar flow with periodic velocity oscillations. Once patterned, the microtubule assembly reveals its intrinsic length and time scales, which we correlate with the activity of motor proteins, as predicted by existing theories of active nematics. The demonstrated commanding strategy should be compatible with other viable active biomaterials at interfaces, and we envision its use to probe the mechanics of the intracellular matrix. PMID:27140604

  10. Control of active liquid crystals with a magnetic field.

    PubMed

    Guillamat, Pau; Ignés-Mullol, Jordi; Sagués, Francesc

    2016-05-17

    Living cells sense the mechanical features of their environment and adapt to it by actively remodeling their peripheral network of filamentary proteins, known as cortical cytoskeleton. By mimicking this principle, we demonstrate an effective control strategy for a microtubule-based active nematic in contact with a hydrophobic thermotropic liquid crystal. By using well-established protocols for the orientation of liquid crystals with a uniform magnetic field, and through the mediation of anisotropic shear stresses, the active nematic reversibly self-assembles with aligned flows and textures that feature orientational order at the millimeter scale. The turbulent flow, characteristic of active nematics, is in this way regularized into a laminar flow with periodic velocity oscillations. Once patterned, the microtubule assembly reveals its intrinsic length and time scales, which we correlate with the activity of motor proteins, as predicted by existing theories of active nematics. The demonstrated commanding strategy should be compatible with other viable active biomaterials at interfaces, and we envision its use to probe the mechanics of the intracellular matrix.

  11. Forms of crystal field Hamiltonians - A critical review

    NASA Astrophysics Data System (ADS)

    Rudowicz, C.; Gnutek, P.; Karbowiak, M.

    2011-08-01

    Our survey reveals that various disparate forms, both compact and expanded ones, of crystal field (CF) Hamiltonians, HCF, expressed in the Wybourne notation have been used in the literature. It turns out that the disparities in the symbolic explicit forms of HCF are especially important for monoclinic and triclinic site symmetry. The extent of the inconsistencies identified in selected papers has prompted us to embark on a systematic critical review of the HCF forms employed in optical spectroscopy and related areas. Most crucial results of this survey are presented here. Comparative analysis has been carried out to establish the interrelations between CF parameters (CFPs) expressed in disparate forms. The usage of inconsistent or confusing HCF forms has implications also for CFP conversions between the Stevens and Wybourne notations as well as for theoretical modeling of CFPs. This review reveals that comparison of CFP data taken from various sources should be carried out with special care, especially for low symmetry cases.

  12. Thermodynamics of bcc metals in phase-field-crystal models.

    PubMed

    Jaatinen, A; Achim, C V; Elder, K R; Ala-Nissila, T

    2009-09-01

    We examine the influence of different forms of the free-energy functionals used in the phase-field-crystal (PFC) model, and compare them with the second-order density-functional theory (DFT) of freezing, by using bcc iron as an example case. We show that there are large differences between the PFC and the DFT and it is difficult to obtain reasonable parameters for existing PFC models directly from the DFT. Therefore, we propose a way of expanding the correlation function in terms of gradients that allows us to incorporate the bulk modulus of the liquid as an additional parameter in the theory. We show that this functional reproduces reasonable values for both bulk and surface properties of bcc iron, and therefore it should be useful in modeling bcc materials. As a further demonstration, we also calculate the grain boundary energy as a function of misorientation for a symmetric tilt boundary close to the melting transition.

  13. Field-induced rectification in rutile single crystals.

    NASA Astrophysics Data System (ADS)

    Jameson, John R.; Fukuzumi, Yoshiaki; Tsunoda, Koji; Wang, Zheng; Griffin, Peter B.; Nishi, Yoshio

    2007-03-01

    A previously unknown resistive memory effect is reported in rutile titanium dioxide. Two Pt electrodes were placed on the surface of a rutile crystal, and a large voltage was applied between them. Afterwards, the device allowed current to pass in the direction of the voltage, but not in the other direction. The orientation of this rectification could then be switched by applying a large voltage of opposite sign. The effect was observed with electrodes on the (100) or (110) surfaces, but not the (001) surface. A plausible explanation is the field-induced motion of oxygen vacancies, which the large voltage might cause to pile up under the negative electrode, eliminating a Schottky barrier at that interface, but leaving a Schottky at the positive electrode intact. Parallels are drawn to other memory effects in titanium dioxide.

  14. Interpretation of experimental results on Kondo systems with crystal field.

    PubMed

    Romero, M A; Aligia, A A; Sereni, J G; Nieva, G

    2014-01-15

    We present a simple approach to calculate the thermodynamic properties of single Kondo impurities including orbital degeneracy and crystal field effects (CFE) by extending a previous proposal by Schotte and Schotte (1975 Phys. Lett. 55A 38). Comparison with exact solutions for the specific heat of a quartet ground state split into two doublets shows deviations below 10% in the absence of CFE and a quantitative agreement for moderate or large CFE. As an application, we fit the measured specific heat of the compounds CeCu2Ge2, CePd3Si0.3, CePdAl, CePt, Yb2Pd2Sn and YbCo2Zn20. The agreement between theory and experiment is very good or excellent depending on the compound, except at very low temperatures due to the presence of magnetic correlations (not accounted for in the model).

  15. The Strength of PIN-PMN-PT Single Crystals under Bending with a Longitudinal Electric Field

    DTIC Science & Technology

    2011-04-06

    The strength of PIN– PMN – PT single crystals under bending with a longitudinal electric field This article has been downloaded from IOPscience. Please...COVERED 00-00-2011 to 00-00-2011 4. TITLE AND SUBTITLE The Strength Of PIN- PMN - PT Single Crystals Under Bending With A Longitudinal Electric Field... PMN ? PT ) single crystals was measured using a four point bending apparatus with a longitudinal electric field applied to the bar during bending. The

  16. Phase-field crystal modeling of heteroepitaxy and exotic modes of crystal nucleation

    NASA Astrophysics Data System (ADS)

    Podmaniczky, Frigyes; Tóth, Gyula I.; Tegze, György; Pusztai, Tamás; Gránásy, László

    2017-01-01

    We review recent advances made in modeling heteroepitaxy, two-step nucleation, and nucleation at the growth front within the framework of a simple dynamical density functional theory, the Phase-Field Crystal (PFC) model. The crystalline substrate is represented by spatially confined periodic potentials. We investigate the misfit dependence of the critical thickness in the StranskiKrastanov growth mode in isothermal studies. Apparently, the simulation results for stress release via the misfit dislocations fit better to the PeopleBean model than to the one by Matthews and Blakeslee. Next, we investigate structural aspects of two-step crystal nucleation at high undercoolings, where an amorphous precursor forms in the first stage. Finally, we present results for the formation of new grains at the solid-liquid interface at high supersaturations/supercoolings, a phenomenon termed Growth Front Nucleation (GFN). Results obtained with diffusive dynamics (applicable to colloids) and with a hydrodynamic extension of the PFC theory (HPFC, developed for simple liquids) will be compared. The HPFC simulations indicate two possible mechanisms for GFN.

  17. Modeling nuclear field shift isotope fractionation in crystals

    NASA Astrophysics Data System (ADS)

    Schauble, E. A.

    2013-12-01

    In this study nuclear field shift fractionations in solids (and chemically similar liquids) are estimated using calibrated density functional theory calculations. The nuclear field shift effect is a potential driver of mass independent isotope fractionation(1,2), especially for elements with high atomic number such as Hg, Tl and U. This effect is caused by the different shapes and volumes of isotopic nuclei, and their interactions with electronic structures and energies. Nuclear field shift isotope fractionations can be estimated with first principles methods, but the calculations are computationally difficult, limiting most theoretical studies so far to small gas-phase molecules and molecular clusters. Many natural materials of interest are more complex, and it is important to develop ways to estimate field shift effects that can be applied to minerals, solutions, in biomolecules, and at mineral-solution interfaces. Plane-wave density functional theory, in combination with the projector augmented wave method (DFT-PAW), is much more readily adapted to complex materials than the relativistic all-electron calculations that have been the focus of most previous studies. DFT-PAW is a particularly effective tool for studying crystals with periodic boundary conditions, and may also be incorporated into molecular dynamics simulations of solutions and other disordered phases. Initial calibrations of DFT-PAW calculations against high-level all-electron models of field shift fractionation suggest that there may be broad applicability of this method to a variety of elements and types of materials. In addition, the close relationship between the isomer shift of Mössbauer spectroscopy and the nuclear field shift isotope effect makes it possible, at least in principle, to estimate the volume component of field shift fractionations in some species that are too complex even for DFT-PAW models, so long as there is a Mössbauer isotope for the element of interest. Initial results

  18. Effect of an electric field on nucleation and growth of crystals

    NASA Astrophysics Data System (ADS)

    Yurov, V. M.; Guchenko, S. A.; Gyngazova, M. S.

    2016-02-01

    The effect of the electric field strength on nucleation and growth of the crystals of ammonium halides and alkali metal sulfates has been studied. The optimal electric field strength for NH4Cl and NH4Br crystals was found to be 15 kV/cm, and for NH4I, it equaled 10 kV/cm. No effect of the electric field strength on the crystal growth was found for alkali metal sulfates. This difference is analyzed in terms of the crystal growth thermodynamics. In case, when the electric field is small and the Gibbs energy is of a significant value, the influence of the electric field at the crystal growth is negligible. A method to estimate the critical radius of homogeneous nucleation of the crystal is suggested.

  19. An Overview of Hardware for Protein Crystallization in a Magnetic Field

    PubMed Central

    Yan, Er-Kai; Zhang, Chen-Yan; He, Jin; Yin, Da-Chuan

    2016-01-01

    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. PMID:27854318

  20. Rashba coupling amplification by a staggered crystal field

    PubMed Central

    Santos-Cottin, David; Casula, Michele; Lantz, Gabriel; Klein, Yannick; Petaccia, Luca; Le Fèvre, Patrick; Bertran, François; Papalazarou, Evangelos; Marsi, Marino; Gauzzi, Andrea

    2016-01-01

    There has been increasing interest in materials where relativistic effects induce non-trivial electronic states with promise for spintronics applications. One example is the splitting of bands with opposite spin chirality produced by the Rashba spin-orbit coupling in asymmetric potentials. Sizable splittings have been hitherto obtained using either heavy elements, where this coupling is intrinsically strong, or large surface electric fields. Here by means of angular resolved photoemission spectroscopy and first-principles calculations, we give evidence of a large Rashba coupling of 0.25 eV Å, leading to a remarkable band splitting up to 0.15 eV with hidden spin-chiral polarization in centrosymmetric BaNiS2. This is explained by a huge staggered crystal field of 1.4 V Å−1, produced by a gliding plane symmetry, that breaks inversion symmetry at the Ni site. This unexpected result in the absence of heavy elements demonstrates an effective mechanism of Rashba coupling amplification that may foster spin-orbit band engineering. PMID:27089869

  1. Electric-field-assisted position and orientation control of organic single crystals.

    PubMed

    Kotsuki, Kenji; Obata, Seiji; Saiki, Koichiro

    2014-12-02

    We have investigated the motion of growing pentacene single crystals in solution under various electric fields. The pentacene single crystals in 1,2,4-trichlorobenzene responded to the electric field as if they were positively charged. By optimizing the strength and frequency of an alternating electric field, the pentacene crystals automatically bridged the electrodes on SiO2. The pentacene crystal with a large aspect ratio tended to direct the [1̅10] orientation parallel to the conduction direction, which will be suitable from a viewpoint of anisotropy in mobility. The present result shows a possibility of controlling the position and orientation of organic single crystals by the use of an electric field, which leads to high throughput and low cost industrial manufacturing of the single crystal array from solution.

  2. Holmium iron borate: high-resolution spectroscopy and crystal-field parameters

    NASA Astrophysics Data System (ADS)

    Erofeev, D. A.; Chukalina, E. P.; Popova, M. N.; Malkin, B. Z.; Bezmaternykh, L. N.; Gudim, I. A.

    2016-12-01

    High-resolution transmission spectra of HoFe3(BO3)4 single crystals were measured in broad spectral (5000-23000 cm-1) and temperature (1.7-300 K) ranges. Crystal-field energies of the Ho3+ ions were determined for a paramagnetic and easy-axis antiferromagnetic phases of the compound. On the basis of these data and of preliminary crystal-field calculations in the frame of the exchange-charge model, crystal-field parameters were found. A parameter of the isotropic Ho-Fe exchange interaction was estimated.

  3. Crystal-field calculations for transition-metal ions by application of an opposing potential

    DOE PAGES

    Zhou, Fei; Aberg, Daniel

    2016-02-16

    We propose a fully ab initio method, the opposing crystal potential (OCP), to calculate the crystal-field parameters of transition-metal impurities in insulator hosts. Through constrained density functional calculations, OCP obtains the constraining Lagrange multipliers, which act as a cancellation potential against the crystal field and lead to spherical d-electron distribution. Furthermore, the method is applied to several insulators doped with Mn4+ and Mn2+ ions and shown to be in good agreement with experiment.

  4. Using Magnetic Fields to Control Convection during Protein Crystallization: Analysis and Validation Studies

    NASA Technical Reports Server (NTRS)

    Ramachandran, N.; Leslie, F. W.

    2004-01-01

    The effect of convection during the crystallization of proteins is not very well understood. In a gravitational field, convection is caused by crystal sedimentation and by solutal buoyancy induced flow and these can lead to crystal imperfections. While crystallization in microgravity can approach diffusion limited growth conditions (no convection), terrestrially strong magnetic fields can be used to control fluid flow and sedimentation effects. In this work, we develop the analysis for magnetic flow control and test the predictions using analog experiments. Specifically, experiments on solutal convection in a paramagnetic fluid were conducted in a strong magnetic field gradient using a dilute solution of Manganese Chloride. The observed flows indicate that the magnetic field can completely counter the settling effects of gravity locally and are consistent with the theoretical predictions presented. This phenomenon suggests that magnetic fields may be useful in mimicking the microgravity environment of space for some crystal growth ana biological applications where fluid convection is undesirable.

  5. Effect of intense magnetic fields on the convection of biogenic guanine crystals in aqueous solution

    NASA Astrophysics Data System (ADS)

    Iwasaka, M.; Mizukawa, Y.

    2015-05-01

    In this study, the basic magneto-optic properties of biogenic microcrystals in aqueous media were investigated. Microcrystals, mica plates, silica, and microcrystals from a diatom cell and biogenic guanine crystals from goldfish showed light scattering inhibition when the crystals were observed in water under a 5 T magnetic field and dark-field illumination. In particular, in 50% ethanol/water medium, convection of the biogenic guanine particle aggregates was reversibly inhibited when the microcrystal suspension was exposed to a 5 T magnetic field. Microscopic observation comparing the biogenic guanine crystals in water with 95% ethanol or 99% acetone revealed that light flickering on the surface of the crystals was affected by the surface interaction of the crystal with the surrounding medium. By considering both the magnetic orientation of the microcrystals and the possible interactions of crystals with the surrounding medium, a magnetically controllable fluidic tracer was suggested.

  6. Phase Field Modeling of Twinning in Indentation of Transparent Crystals

    DTIC Science & Technology

    2011-09-01

    functional of (32). Thus the mathematical problem of interest whose solution is sought numerically , as described later in sections 4 and 5, can be...of deformed and twinned crystals are attained numerically via direct energy minimization. Results are in qualitative agreement with experimental...deformed and twinned crystals are attained numerically via direct energy minimization. Results are in qualitative agreement with experimental

  7. Neutron study of crystal field excitations in single crystal CeCu2Ge2

    NASA Astrophysics Data System (ADS)

    Loewenhaupt, Michael; Faulhaber, Enrico; Schneidewind, Astrid; Deppe, Micha; Hradil, Klaudia

    2010-03-01

    CeCu2Ge2 is the counterpart of the heavy-fermion superconductor CeCu2Si2. CeCu2Ge2 is a magnetically ordering (TN= 4.1 K) Kondo lattice with a moderate Sommerfeld coefficient of 140 mJ/molK^2 [1]. Inelastic neutron measurements on a polycrystalline sample revealed a doublet ground state and a quasi-quartet at 16.5 meV [1] though a splitting of the 4f^1 (J=5/2) ground state multiplet into 3 doublets is expected from the point symmetry of the Ce^3+ ions. We performed detailed inelastic neutron scattering experiments on the thermal triple-axis spectrometer PUMA at FRM II at temperatures between 10 K and 300 K and for different crystallographic directions from low to high momentum transfers. In this way we obtained a reliable separation of magnetic and phonon contributions. From our results we infer that the quasi-quartet consists in fact of two doublets at 17 and 18 meV which exhibit a strong directional dependence of their transition matrix elements to the ground state doublet. Finally we will present a new set of crystal field parameters and their implications on other magnetic properties. [1] G. Knopp et al., Z. Physik B 77 (1989) 95

  8. Magnetic field sensor based on selectively magnetic fluid infiltrated dual-core photonic crystal fiber

    NASA Astrophysics Data System (ADS)

    Gangwar, Rahul Kumar; Bhardwaj, Vanita; Singh, Vinod Kumar

    2016-02-01

    We reported the modeling result of selectively magnetic fluid infiltrated dual-core photonic crystal fiber based magnetic field sensor. Inside the cross-section of the designed photonic crystal fiber, the two fiber cores filled with magnetic fluid (Fe3O4) form two independent waveguides with mode coupling. The mode coupling under different magnetic field strengths is investigated theoretically. The sensitivity of the sensor as a function of the structural parameters of the photonic crystal fiber is calculated. The result shows that the proposed sensing device with 1 cm photonic crystal fiber length has a large sensitivity of 305.8 pm/Oe.

  9. Large area mode field photonic crystal fiber design

    NASA Astrophysics Data System (ADS)

    Guo, Shuqin; An, Wensheng; Wang, Kang; Zhu, Guangxin; Le, Zichun

    2005-11-01

    A novel design method about photonic crystal fiber (PCF) with large area model field (LAMF) is demonstrated. Different from ordinarily design that the core of PCF formed by missing one air holes in the center of section, many air holes distributed in heartland all together come into being the core region. Air holes are arranged regularly in core region and outer cladding regions according to different periodical character, respectively. The effective refractive index (n eff ) of core region should be higher than cladding region because of total internal reflection (TIR) requirement. In this paper, two kinds of typical scheme are offered to realize LAMF-PCF. First, Λ, the spacing of neighboring air holes in whole section is fixed, once the radius of air holes in the core region r c is smaller than the cladding air holes r cla, LAMF-PCF will be formed. The modal area only lessens a little as r c is reduced. Especially, optimal size of r c can nearly make MFA insensitive to wavelength. On the contrary, dispersion parameter of PCF will take place visible change along with r c reduced, and ultra-flattened dispersion character can be realized when r c is optimized. Another method of designing LAMF-PCF is keeping all air holes uniform in the whole section of PCF, but the space of neighboring air holes in the core region Λ c is longer than the cladding region Λ cla, so n eff of core region is higher than the cladding region and TIR can take place.

  10. Impedance of Polymer-Dispersed Liquid Crystals with Carbon Nanofibers in Weak Electric Fields

    NASA Astrophysics Data System (ADS)

    Zhdanov, K. R.; Romanenko, A. I.; Zharkova, G. M.; Podyacheva, O. Yu.

    2016-11-01

    Impedance of polymer-dispersed liquid crystals modified by carbon nanofibers is studied in fields lower than the threshold field of the director reorientation of a liquid crystal. It is shown that the real and imaginary parts of the impedance obey to the relationship (Zre - X0)2 + (Zim - Y0)2 = R 0 2 , where X0, Y0, and R0 are the fitting parameters depending on the frequency of the exciting electric field.

  11. SINGLE CRYSTAL CADMIUM SULFIDE AND CADMIUM SELENIDE INSULATED-GATE FIELD-EFFECT TRIODES.

    DTIC Science & Technology

    Insulated-gate field-effect triodes were fabricated on single crystal cadmium sulfide and cadmium selenide . Both bulk crystals and platelets were...used for single crystal samples. Chromium and aluminum were found to make low impedance contacts to cadmium sulfide and cadmium selenide . The...polycrystalline cadmium sulfide and cadmium selenide IGFET’s. The characteristics of the fabricated devices were unstable with respect to time and temperature

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

    PubMed

    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.

  13. Growth, structure, spectral properties and crystal-field analysis of monoclinic Nd:YNbO4 single crystal

    NASA Astrophysics Data System (ADS)

    Ding, Shoujun; Zhang, Qingli; Gao, Jinyun; Liu, Wenpeng; Luo, Jianqiao; Sun, Dunlu; Sun, Guihua; Wang, Xiaofei

    2016-12-01

    A Nd:YNbO4 single crystal was successfully grown by Czochralski (Cz) method, its structural and spectroscopic properties were investigated. The X-ray rocking curve of the (010) diffraction face of Nd:YNbO4 crystal was measured, the full width at half maximum (FWHM) of this diffraction peak is 0.05°, which indicates a high crystalline quality of the as-grown crystal. Its lattice parameters, atomic coordinates and so on were obtained by Rietvield refinement to X-ray diffraction data. According to the Archimedes drainage method, the crystal density of Nd:YNbO4 is calculated to be 5.4 g/cm3. The Mohr‧s hardness value along (010) face was determined to be 6.0. The transmission spectrum along (010) face at room temperature was recorded and the excitation and emission spectra at 8 K were measured. Photoluminescence peaks of Nd:YNbO4 were assigned, and the crystal-field splitting of Nd3+ in YNbO4 was obtained. The fluorescence lifetime of the 4F3/2→4I11/2 transition of Nd3+ in YNbO4 is fitted to be 152 μs These spectroscopic and energy splitting data give an important reference for the research of laser property of Nd:YNbO4 crystal.

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

    SciTech Connect

    Zaitseva, E. V.; Markelov, A. S.; Trushin, V. N. Chuprunov, E. V.

    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.

  15. Imposed Orientation of Dye Molecules by Liquid Crystals and an Electric Field.

    ERIC Educational Resources Information Center

    Sadlej-Sosnowska, Nina

    1980-01-01

    Describes experiments using dye solutions in liquid crystals in which polar molecules are oriented in an electrical field and devices are constructed to change their color in response to an electric signal. (CS)

  16. Study of Fluid Flow Control in Protein Crystallization using Strong Magnetic Fields

    NASA Technical Reports Server (NTRS)

    Ramachandran, Narayanan; Leslie, Fred; Ciszak, Ewa

    2002-01-01

    An important component in biotechnology, particularly in the area of protein engineering and rational drug design is the knowledge of the precise three-dimensional molecular structure of proteins. The quality of structural information obtained from X-ray diffraction methods is directly dependent on the degree of perfection of the protein crystals. As a consequence, the growth of high quality macromolecular crystals for diffraction analyses has been the central focus for biochemists, biologists, and bioengineers. Macromolecular crystals are obtained from solutions that contain the crystallizing species in equilibrium with higher aggregates, ions, precipitants, other possible phases of the protein, foreign particles, the walls of the container, and a likely host of other impurities. By changing transport modes in general, i.e., reduction of convection and sedimentation, as is achieved in "microgravity", researchers have been able to dramatically affect the movement and distribution of macromolecules in the fluid, and thus their transport, formation of crystal nuclei, and adsorption to the crystal surface. While a limited number of high quality crystals from space flights have been obtained, as the recent National Research Council (NRC) review of the NASA microgravity crystallization program pointed out, the scientific approach and research in crystallization of proteins has been mainly empirical yielding inconclusive results. We postulate that we can reduce convection in ground-based experiments and we can understand the different aspects of convection control through the use of strong magnetic fields and field gradients. Whether this limited convection in a magnetic field will provide the environment for the growth of high quality crystals is still a matter of conjecture that our research will address. The approach exploits the variation of fluid magnetic susceptibility with concentration for this purpose and the convective damping is realized by appropriately

  17. In-crystal and surface charge transport of electric-field-induced carriers in organic single-crystal semiconductors.

    PubMed

    Takeya, J; Kato, J; Hara, K; Yamagishi, M; Hirahara, R; Yamada, K; Nakazawa, Y; Ikehata, S; Tsukagoshi, K; Aoyagi, Y; Takenobu, T; Iwasa, Y

    2007-05-11

    Gate-voltage dependence of carrier mobility is measured in high-performance field-effect transistors of rubrene single crystals by simultaneous detection of the longitudinal conductivity sigma(square) and Hall coefficient R(H). The Hall mobility mu(H) (identical with sigma(square)R(H)) reaches nearly 10 cm(2)/V s when relatively low-density carriers (<10(11) cm(-2)) distribute into the crystal. mu(H) rapidly decreases with higher-density carriers as they are essentially confined to the surface and are subjected to randomness of the amorphous gate insulators. The mechanism to realize high carrier mobility in the organic transistor devices involves intrinsic-semiconductor character of the high-purity organic crystals and diffusive bandlike carrier transport in the bulk.

  18. Method of bonding single crystal quartz by field-assisted bonding

    DOEpatents

    Curlee, Richard M.; Tuthill, Clinton D.; Watkins, Randall D.

    1991-01-01

    The method of producing a hermetic stable structural bond between quartz crystals includes providing first and second quartz crystals and depositing thin films of borosilicate glass and silicon on portions of the first and second crystals, respectively. The portions of the first and second crystals are then juxtaposed in a surface contact relationship and heated to a temperature for a period sufficient to cause the glass and silicon films to become electrically conductive. An electrical potential is then applied across the first and second crystals for creating an electrostatic field between the adjoining surfaces and causing the juxtaposed portions to be attracted into an intimate contact and form a bond for joining the adjoining surfaces of the crystals.

  19. Method of bonding single crystal quartz by field-assisted bonding

    DOEpatents

    Curlee, R.M.; Tuthill, C.D.; Watkins, R.D.

    1991-04-23

    The method of producing a hermetic stable structural bond between quartz crystals includes providing first and second quartz crystals and depositing thin films of borosilicate glass and silicon on portions of the first and second crystals, respectively. The portions of the first and second crystals are then juxtaposed in a surface contact relationship and heated to a temperature for a period sufficient to cause the glass and silicon films to become electrically conductive. An electrical potential is then applied across the first and second crystals for creating an electrostatic field between the adjoining surfaces and causing the juxtaposed portions to be attracted into an intimate contact and form a bond for joining the adjoining surfaces of the crystals. 2 figures.

  20. A test of improved force field parameters for urea: molecular-dynamics simulations of urea crystals.

    PubMed

    Özpınar, Gül Altınbaş; Beierlein, Frank R; Peukert, Wolfgang; Zahn, Dirk; Clark, Timothy

    2012-08-01

    Molecular-dynamics (MD) simulations of urea crystals of different shapes (cubic, rectangular prismatic, and sheet) have been performed using our previously published force field for urea. This force field has been validated by calculating values for the cohesive energy, sublimation temperature, and melting point from the MD data. The cohesive energies computed from simulations of cubic and rectangular prismatic urea crystals in vacuo at 300 K agreed very well with the experimental sublimation enthalpies reported at 298 K. We also found very good agreement between the melting points as observed experimentally and from simulations. Annealing the crystals just below the melting point leads to reconstruction to form crystal faces that are consistent with experimental observations. The simulations reveal a melting mechanism that involves surface (corner/edge) melting well below the melting point, and rotational disordering of the urea molecules in the corner/edge regions of the crystal, which then facilitates the translational motion of these molecules.

  1. Models of Mass Transport During Microgravity Crystal Growth of Alloyed Semiconductors in a Magnetic Field

    NASA Technical Reports Server (NTRS)

    Ma, Nancy

    2003-01-01

    Alloyed semiconductor crystals, such as germanium-silicon (GeSi) and various II-VI alloyed crystals, are extremely important for optoelectronic devices. Currently, high-quality crystals of GeSi and of II-VI alloys can be grown by epitaxial processes, but the time required to grow a certain amount of single crystal is roughly 1,000 times longer than the time required for Bridgman growth from a melt. Recent rapid advances in optoelectronics have led to a great demand for more and larger crystals with fewer dislocations and other microdefects and with more uniform and controllable compositions. Currently, alloyed crystals grown by bulk methods have unacceptable levels of segregation in the composition of the crystal. Alloyed crystals are being grown by the Bridgman process in space in order to develop successful bulk-growth methods, with the hope that the technology will be equally successful on earth. Unfortunately some crystals grown in space still have unacceptable segregation, for example, due to residual accelerations. The application of a weak magnetic field during crystal growth in space may eliminate the undesirable segregation. Understanding and improving the bulk growth of alloyed semiconductors in microgravity is critically important. The purpose of this grant to to develop models of the unsteady species transport during the bulk growth of alloyed semiconductor crystals in the presence of a magnetic field in microgravity. The research supports experiments being conducted in the High Magnetic Field Solidification Facility at Marshall Space Flight Center (MSFC) and future experiments on the International Space Station.

  2. Neutron study of crystal-field transitions in ErPO{sub 4}

    SciTech Connect

    Loong, C.-K.; Soderholm, L.; Hammonds, J.P.; Abraham, M.M.; Boatner, L.A.; Edelstein, N.M.

    1992-12-01

    The crystal-field splitting of the Er{sup 3+} ground multiplet, {sup 4}I{sub 15/2}, in ErPO{sub 4} is investigated by inelastic neutron scattering. Four excitations from the {Gamma}{sub 7} ground state to the excited states and several transitions between the excited states have been identified. The observed transition energies and intensities are used to refine the parameters of the crystal-field potential. The calculated magnetic susceptibility, {chi}(T), agrees well with experimental values from single-crystal measurements. A comparison of the neutron data with optical absorption and both nonresonance and resonance Raman scattering measurements has been made.

  3. Neutron study of crystal-field transitions in ErPO[sub 4

    SciTech Connect

    Loong, C.-K.; Soderholm, L.; Hammonds, J.P. ); Abraham, M.M.; Boatner, L.A. ); Edelstein, N.M. )

    1992-01-01

    The crystal-field splitting of the Er[sup 3+] ground multiplet, [sup 4]I[sub 15/2], in ErPO[sub 4] is investigated by inelastic neutron scattering. Four excitations from the [Gamma][sub 7] ground state to the excited states and several transitions between the excited states have been identified. The observed transition energies and intensities are used to refine the parameters of the crystal-field potential. The calculated magnetic susceptibility, [chi](T), agrees well with experimental values from single-crystal measurements. A comparison of the neutron data with optical absorption and both nonresonance and resonance Raman scattering measurements has been made.

  4. Crystal-field calculations for transition-metal ions by application of an opposing potential

    SciTech Connect

    Zhou, Fei; Aberg, Daniel

    2016-02-16

    We propose a fully ab initio method, the opposing crystal potential (OCP), to calculate the crystal-field parameters of transition-metal impurities in insulator hosts. Through constrained density functional calculations, OCP obtains the constraining Lagrange multipliers, which act as a cancellation potential against the crystal field and lead to spherical d-electron distribution. Furthermore, the method is applied to several insulators doped with Mn4+ and Mn2+ ions and shown to be in good agreement with experiment.

  5. Phase field crystal study of deformation and plasticity in nanocrystalline materials.

    PubMed

    Stefanovic, Peter; Haataja, Mikko; Provatas, Nikolas

    2009-10-01

    We introduce a modified phase field crystal (MPFC) technique that self-consistently incorporates rapid strain relaxation alongside the usual plastic deformation and multiple crystal orientations featured by the traditional phase field crystal (PFC) technique. Our MPFC formalism can be used to study a host of important phase transformation phenomena in material processing that require rapid strain relaxation. We apply the MPFC model to study elastic and plastic deformations in nanocrystalline materials, focusing on the "reverse" Hall-Petch effect. Finally, we introduce a multigrid algorithm for efficient numerical simulations of the MPFC model.

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

    SciTech Connect

    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.

  7. Hidden local symmetry of Eu{sup 3+} in xenotime-like crystals revealed by high magnetic fields

    SciTech Connect

    Han, Yibo; Ma, Zongwei; Zhang, Junpei; Wang, Junfeng; Du, Guihuan; Xia, Zhengcai; Han, Junbo Li, Liang; Yu, Xuefeng

    2015-02-07

    The excellent optical properties of europium-doped crystals in visible and near infrared wavelength regions enable them to have broad applications in optoelectronics, laser crystals and sensing devices. The local site crystal fields can affect the intensities and peak positions of the photo-emission lines strongly, but they are usually difficult to be clarified due to magnetically degenerate 4f electronic levels coupling with the crystal fields. Here, we provide an effective way to explore the hidden local symmetry of the Eu{sup 3+} sites in different hosts by taking photoluminescence measurements under pulsed high magnetic fields up to 46 T. The zero-field photoluminescence peaks split further at high magnetic fields when the Zeeman splitting energy is comparable to or larger than that of the crystal field induced zero-field splitting. In particular, a magnetic field induced crossover of the local crystal fields has been observed in the GdVO{sub 4}:Eu{sup 3+} crystal, which resulted from the alignment of Gd{sup 3+} magnetic moment in high magnetic fields; and a hexagonally symmetric local crystal fields was observed in the YPO{sub 4} nanocrystals at the Eu{sup 3+} sites characterized by the special axial and rhombic crystal field terms. These distinct Zeeman splitting behaviors uncover the crystal fields-related local symmetry of luminescent Eu{sup 3+} centers in different hosts or magnetic environments, which are significant for their applications in optics and optoelectronics.

  8. Controlled deposition or organic semiconductor single crystals and its application in field-effect transistors

    NASA Astrophysics Data System (ADS)

    Liu, Shuhong

    The search for low-cost, large area, flexible devices has led to a remarkable increase in the research and development of organic semiconductors. Single-crystal organic field-effect transistors (OFETs) are ideal device structures for studying fundamental science associated with charge transport in organic materials and have demonstrated high mobility and outstanding electrical characteristics. For example, an exceptionally high carrier mobility of 20 cm2/Vs has been demonstrated for rubrene single crystal field effect transistors. However, it remains a technical challenge to integrate single-crystal devices into practical electronic applications. A key difficulty is that organic single-crystal devices are usually fabricated one device at a time by handpicking a single crystal and placing it onto the device substrate. This makes it impossible to mass-produce at high density with reasonable throughput. Therefore, there is a great need for a high-throughput method for depositing large arrays of organic semiconductor single crystals directly onto device structures. In this dissertation, I develop several approaches towards realizing this goal. The first approach is a solution-processing technique, which relies on solvent wetting and de-wetting on substrates with patterned wettability to selectively direct the deposition or removal of organic crystals. The assembly of different organic crystals over centimeter-squared areas on Au, SiO 2 and flexible plastic substrates is demonstrated. By designing line features on the substrate, alignment of needle-like crystals is also achieved. As a demonstration of the potential application of this approach, arrays of organic single crystal FETs are fabricated by patterning organic single crystals directly onto and between transistor source and drain electrodes. Besides organic single crystals, this self-assembly strategy is also applicable for patterning other objects such as metallic nanowires. In the second technique, organic

  9. Composite Fermion Theory for the High Field Wigner Crystal State

    NASA Astrophysics Data System (ADS)

    Narevich, Romanas; Murthy, Ganpathy; Fertig, Herbert

    2001-03-01

    The low filling fraction Quantum Hall Effect is reexamined using the hamiltonian composite fermion theory developed by Shankar and Murthy(R. Shankar and G. Murthy, Phys. Rev. Lett. 79), 4437 (1997). We address the experiment by Jiang et. al.(H. W. Jiang et. al., Phys. Rev. B 44), 8107 (1991) where the insulating phase surrounding the ν=1/5 quantum liquid was observed and its activation energies (gaps) measured. Previous studies either found gaps that were off by few orders of magnitude (Hartree-Fock calculations of the electronic Wigner crystal(D. Yoshioka and H. Fukuyama, J. Phys. Soc. Japan 47), 394 (1979)) or were unable to calculate them because of the computational complexity (Monte-Carlo studies of the correlated crystal(H. Yi and H. A. Fertig, Phys. Rev. B 58), 4019 (1998)). We use the Hartree-Fock approximation for the periodic density state of composite fermions and find gaps that have a correct order of magnitude and reproduce the experimental dependence on the filling factor. We also report the results of the shear modulus calculation relevant for the collective pinning of the crystal.

  10. Propelling and spinning of microsheets in nematic liquid crystals driven by ac electric field

    NASA Astrophysics Data System (ADS)

    Rasna, M. V.; Ramudu, U. V.; Chandrasekar, R.; Dhara, Surajit

    2017-01-01

    Dynamics of microparticles in isotropic liquids by transducing the energy of an applied electric field have been studied for decades. Recently, such studies in anisotropic media like liquid crystals have opened up new perspectives in colloid science. Here, we report studies on ac-electric-field-driven dynamics of microsheets in nematic liquid crystals. In planar aligned liquid crystals, with negative dielectric anisotropy, the microsheets are propelled parallel to the director. A steady spinning of the microsheets is observed in homeotropic cells with positive dielectric anisotropy liquid crystals. The velocity of propelling and the angular frequency of spinning depends on the amplitude and the frequency of the applied electric field. The electrokinetic studies of anisotropic microparticles are important as they are potential for applications in microfluidics and in areas where the controlled transport or rotation is required.

  11. Phase diagrams of mixtures of a polymer and a cholesteric liquid crystal under an external field

    SciTech Connect

    Matsuyama, Akihiko

    2014-11-14

    We present a mean field theory to describe phase behaviors in mixtures of a polymer and a cholesteric liquid crystal under an external magnetic or electric field. Taking into account a chiral coupling between a polymer and a liquid crystal under the external field, we examine twist-untwist phase transitions and phase separations in the mixtures. It is found that a cholesteric-nematic phase transition can be induced by not only the external field but also concentration and temperature. Depending on the strength of the external field, we predict cholesteric-paranematic (Ch+pN), nematic-paranematic (N+pN), cholesteric-nematic (Ch+N) phase separations, etc., on the temperature-concentration plane. We also discuss mixtures of a non-chiral nematic liquid crystal and a chiral dopant.

  12. Magnetic field controlled single crystal growth and surface modification of titanium alloys exposed for biocompatibility

    NASA Astrophysics Data System (ADS)

    Hermann, Regina; Uhlemann, Margitta; Wendrock, Horst; Gerbeth, Gunter; Büchner, Bernd

    2011-03-01

    The aim of this work is growth and characterisation of Ti55Nb45 (wt%) single crystals by floating-zone single crystal growth of intermetallic compounds using two-phase radio-frequency (RF) electromagnetic heating. Thereby, the process and, in particular, the flow field in the molten zone is influenced by additional magnetic fields. The growth of massive intermetallic single crystals is very often unsuccessful due to an unfavourable solid-liquid interface geometry enclosing concave fringes. It is generally known that the crystallization process stability is enhanced if the crystallization interface is convex. For this, a tailored magnetic two-phase stirrer system has been developed, which enables a controlled influence on the melt ranging from intensive inwards to outwards flows. Since Ti is favourably light, strong and biocompatible, it is one of the few materials that naturally match the requirements for implantation in the human body. Therefore, the magnetic system was applied to crystal growth of Ti alloys. The grown crystals were oriented and cut to cubes with the desired crystallographic orientations [1 0 0] and [1 0 1] normally on a plane. The electron backscatter diffraction (EBSD) technique was applied to clearly determine crystal orientation and to localize grain boundaries. The formation of oxidic nanotubes on Ti surfaces in dependence of the grain orientation was investigated, performed electrochemically by anodic oxidation from fluoride containing electrolyte.

  13. Study of Fluid Flow Control In Protein Crystallization Using Strong Magnetic Fields

    NASA Technical Reports Server (NTRS)

    Ramachandran, N.; Leslie, F.; Ciszak, E.; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    An important component in biotechnology, particularly in the area of protein engineering and rational drug design is the knowledge of the precise three-dimensional molecular structure of proteins. The quality of structural information obtained from X-ray diffraction methods is directly dependent on the degree of perfection of the protein crystals. As a consequence, the growth of high quality macromolecular crystals for diffraction analyses has been the central focus for biochemists, biologists, and bioengineers. Macromolecular crystals are obtained from solutions that contain the crystallizing species in equilibrium with higher aggregates, ions, precipitants, other possible phases of the protein, foreign particles, the walls of the container, and a likely host of other impurities. By changing transport modes in general, i.e., reduction of convection and sedimentation, as is achieved in 'microgravity', researchers have been able to dramatically affect the movement and distribution of macromolecules in the fluid, and thus their transport, formation of crystal nuclei, and adsorption to the crystal surface. While a limited number of high quality crystals from space flights have been obtained, as the recent National Research Council (NRC) review of the NASA microgravity crystallization program pointed out, the scientific approach and research in crystallization of proteins has been mainly empirical yielding inconclusive results. We postulate that we can reduce convection in ground-based experiments and we can understand the different aspects of convection control through the use of strong magnetic fields and field gradients. Whether this limited convection in a magnetic field will provide the environment for the growth of high quality crystals is still a matter of conjecture that our research will address. The approach exploits the variation of fluid magnetic susceptibility with concentration for this purpose and the convective damping is realized by appropriately

  14. Electric-field variations within a nematic-liquid-crystal layer

    NASA Astrophysics Data System (ADS)

    Cummings, L. J.; Mema, E.; Cai, C.; Kondic, L.

    2014-07-01

    A thin layer of nematic liquid crystal (NLC) across which an electric field is applied is a setup of great industrial importance in liquid crystal display devices. There is thus a large literature modeling this situation and related scenarios. A commonly used assumption is that an electric field generated by electrodes at the two bounding surfaces of the layer will produce a field that is uniform: that is, the presence of NLC does not affect the electric field. In this paper, we use calculus of variations to derive the equations coupling the electric potential to the orientation of the NLC's director field, and use a simple one-dimensional model to investigate the limitations of the uniform field assumption in the case of a steady applied field. The extension of the model to the unsteady case is also briefly discussed.

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

    PubMed Central

    García-García, Amanda; Vergaz, Ricardo; Algorri, José F; Zito, Gianluigi; Cacace, Teresa; Marino, Antigone; Otón, José M

    2016-01-01

    Summary 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. PMID:27547599

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

    PubMed

    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.

  17. X-ray and magnetic-field-enhanced change in physical characteristics of silicon crystals

    NASA Astrophysics Data System (ADS)

    Makara, V. A.; Steblenko, L. P.; Krit, A. N.; Kalinichenko, D. V.; Kurylyuk, A. N.; Naumenko, S. N.

    2012-07-01

    The effect of low-energy ( W = 8 keV) low-dose ((0.3-7.3) × 102 Gy) radiation and a dc magnetic field ( B = 0.17 T) on structural, micromechanical, and microplastic characteristics of silicon crystals has been studied. The features in the dynamic behavior of dislocations in silicon crystals, which manifest themselves upon only X-ray exposure and combined (X-ray and magnetic) exposure, have been revealed.

  18. Role of the crystal field stabilization energy in the formation of metal(II) formate mixed crystals

    NASA Astrophysics Data System (ADS)

    Balarew, Christo; Stoilova, Donka; Vassileva, Violeta

    A relationship between the distribution coefficient values and the factors determining the isomorphous substitution of some metal(II) formates (Mg, Mn, Fe, Co, Ni, Cu, Zn, Cd) has been found, given by D=[exp⁡{aṡf[ΔR/R]+bṡϕ(Δɛ)+cṡψ(Δs)}/{RT}, where Δ R/R is the relative difference in the ionic radii of the intersubstituting ions, Δɛ is the difference in the Me sbnd O bond energy, Δ s is the difference in the crystal field stabilization energy. The pre-exponential term represents the balance in bonding factors between the ions in the crystal and in the aqueous solution, in the case of ideally mixing in the solid state. The exponential term takes into account the enthalpy of mixing in the solid state. For the isostructural formate salts in which the substitution of a given cation by another one occurs in equivalent octahedral positions, the difference in the crystal field stabilization energy exerts the most important influence on the enthalpy of mixing.

  19. Atomic density functional and diagram of structures in the phase field crystal model

    NASA Astrophysics Data System (ADS)

    Ankudinov, V. E.; Galenko, P. K.; Kropotin, N. V.; Krivilyov, M. D.

    2016-02-01

    The phase field crystal model provides a continual description of the atomic density over the diffusion time of reactions. We consider a homogeneous structure (liquid) and a perfect periodic crystal, which are constructed from the one-mode approximation of the phase field crystal model. A diagram of 2D structures is constructed from the analytic solutions of the model using atomic density functionals. The diagram predicts equilibrium atomic configurations for transitions from the metastable state and includes the domains of existence of homogeneous, triangular, and striped structures corresponding to a liquid, a body-centered cubic crystal, and a longitudinal cross section of cylindrical tubes. The method developed here is employed for constructing the diagram for the homogeneous liquid phase and the body-centered iron lattice. The expression for the free energy is derived analytically from density functional theory. The specific features of approximating the phase field crystal model are compared with the approximations and conclusions of the weak crystallization and 2D melting theories.

  20. A phase-field model coupled with lattice kinetics solver for modeling crystal growth in furnaces

    SciTech Connect

    Lin, Guang; Bao, Jie; Xu, Zhijie; Tartakovsky, Alexandre M.; Henager, Charles H.

    2014-02-02

    In this study, we present a new numerical model for crystal growth in a vertical solidification system. This model takes into account the buoyancy induced convective flow and its effect on the crystal growth process. The evolution of the crystal growth interface is simulated using the phase-field method. Two novel phase-field models are developed to model the crystal growth interface in vertical gradient furnaces with two temperature profile setups: 1) fixed wall temperature profile setup and 2) time-dependent temperature profile setup. A semi-implicit lattice kinetics solver based on the Boltzmann equation is employed to model the unsteady incompressible flow. This model is used to investigate the effect of furnace operational conditions on crystal growth interface profiles and growth velocities. For a simple case of macroscopic radial growth, the phase-field model is validated against an analytical solution. Crystal growth in vertical gradient furnaces with two temperature profile setups have been also investigated using the developed model. The numerical simulations reveal that for a certain set of temperature boundary conditions, the heat transport in the melt near the phase interface is diffusion dominant and advection is suppressed.

  1. Semiconductor crystal growth in crossed electric and magnetic fields: Center Director's Discretionary Fund

    NASA Technical Reports Server (NTRS)

    Mazuruk, K.; Volz, M. P.

    1996-01-01

    A unique growth cell was designed in which crossed electric and magnetic fields could be separately or simultaneously applied during semiconductor crystal growth. A thermocouple was inserted into an InSb melt inside the growth cell to examine the temperature response of the fluid to applied electromagnetic fields. A static magnetic field suppressed time-dependent convection when a destabilizing thermal field was applied. The simultaneous application of electric and magnetic fields resulted in forced convection in the melt. The InSb ingots grown in the cell were polycrystalline. An InGaSb crystal, 0.5 cm in diameter and 23-cm long, was grown without electromagnetic fields applied. The axial composition results indicated that complete mixing in the melt occurred for this large aspect ratio.

  2. Determination of optimal ionic liquid for organic single-crystal field-effect transistors

    NASA Astrophysics Data System (ADS)

    Ono, S.; Miwa, K.; Seki, S.

    2016-02-01

    We investigate organic single-crystal field-effect transistors with various ionic liquids as gate dielectric. We find that the mobility of the field-effect transistors for both p-type and n-type organic semiconductors increases with decreasing total capacitance of the ionic liquid. However, it does not depend on the ion species at the interface between the organic semiconductor and the ionic liquid. By choosing an appropriate ionic liquid, a high carrier mobility of 12.4 cm2/V s in rubrene single crystals (p-type) and 0.13 cm2/V s in 7.7.8.8-Tetracyanoquinodimethane single crystals (n-type) are achieved. This study clarifies the influence of ionic liquids on the device performance of organic field-effect transistors and shows a way to maximize carrier mobility at the solid/liquid interface.

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

    NASA Astrophysics Data System (ADS)

    Zaim, N.; Zaim, A.; Kerouad, M.

    2017-02-01

    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 Js 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.

  4. Crystal-field interaction and oxygen stoichiometry effects in strontium-doped rare-earth cobaltates

    NASA Astrophysics Data System (ADS)

    Furrer, A.; Podlesnyak, A.; Frontzek, M.; Sashin, I.; Embs, J. P.; Mitberg, E.; Pomjakushina, E.

    2014-08-01

    Inelastic neutron scattering was employed to study the crystal-field interaction in the strontium-doped rare-earth compounds RxSr1-xCoO3-z (R=Pr, Nd, Ho, and Er). Particular emphasis is laid on the effect of oxygen deficiencies that naturally occur in the synthesis of these compounds. The observed energy spectra are found to be the result of a superposition of crystal fields with different nearest-neighbor oxygen coordination at the R sites. The experimental data are interpreted in terms of crystal-field parameters, which behave in a consistent manner through the rare-earth series, thereby allowing a reliable extrapolation for rare-earth ions not considered in the present work.

  5. Crystal field parameters and energy levels scheme of trivalent chromium doped BSO

    SciTech Connect

    Petkova, P.; Andreici, E.-L.; Avram, N. M.

    2014-11-24

    The aim of this paper is to give an analysis of crystal field parameters and energy levels schemes for the above doped material, in order to give a reliable explanation for experimental data. The crystal field parameters have been modeled in the frame of Exchange Charge Model (ECM) of the crystal field theory, taken into account the geometry of systems, with actually site symmetry of the impurity ions. The effect of the charges of the ligands and covalence bonding between chromium cation and oxygen anions, in the cluster approach, also were taken into account. With the obtained values of the crystal field parameters we simulated the scheme of energy levels of chromium ions by diagonalizing the matrix of the Hamiltonian of the doped crystal. The obtained energy levels and estimated Racah parameters B and C were compared with the experimental spectroscopic data and discussed. Comparison with experiment shows that the results are quite satisfactory which justify the model and simulation scheme used for the title system.

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

    PubMed

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

    2016-08-01

    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%.

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

    PubMed Central

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

    2016-01-01

    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%. PMID:27484370

  8. Field-induced phase transitions in chiral smectic liquid crystals studied by the constant current method

    NASA Astrophysics Data System (ADS)

    H, Dhaouadi; R, Zgueb; O, Riahi; F, Trabelsi; T, Othman

    2016-05-01

    In ferroelectric liquid crystals, phase transitions can be induced by an electric field. The current constant method allows these transition to be quickly localized and thus the (E,T) phase diagram of the studied product can be obtained. In this work, we make a slight modification to the measurement principles based on this method. This modification allows the characteristic parameters of ferroelectric liquid crystal to be quantitatively measured. The use of a current square signal highlights a phenomenon of ferroelectric hysteresis with remnant polarization at null field, which points out an effect of memory in this compound.

  9. Field-programmable rectification in rutile TiO2 crystals

    NASA Astrophysics Data System (ADS)

    Jameson, John R.; Fukuzumi, Yoshiaki; Wang, Zheng; Griffin, Peter; Tsunoda, Koji; Meijer, G. Ingmar; Nishi, Yoshio

    2007-09-01

    The authors report "field-programmable rectification" in crystals of rutile TiO2. A "programming" voltage is applied between two Pt electrodes on the surface of a crystal. Afterwards, current can pass in the direction of the programming voltage, but not in the reverse direction. The polarity of the rectification can be reversed by applying a programming voltage of opposite sign. The effect was observed on the (110) and (100) surfaces, but not the (001) surface. The proposed mechanism is field-induced motion of oxygen vacancies, which pile up under the negative terminal, eliminating a Schottky barrier, but leaving one at the positive terminal intact.

  10. Electric field-induced optical second harmonic generation in nematic liquid crystal 5CB

    NASA Astrophysics Data System (ADS)

    Torgova, S. I.; Shigorin, V. D.; Maslyanitsyn, I. A.; Todorova, L.; Marinov, Y. G.; Hadjichristov, G. B.; Petrov, A. G.

    2014-12-01

    Electric field-induced second harmonic generation (EFISH) was studied for the liquid crystal 4-cyano-4'-pentylbiphenyl (5CB) (a nematic phase material at room temperature). The intensity of coherent SHG from 5CB cells upon DC electric field was measured for various initial orientations of the liquid crystal. The dependence of the SHG intensity on the pump beam incidence angle was obtained in transmission geometry using sample rotation method. The experimental results (the registered light intensity in the output SHG interference patterns) were theoretically modelled and analyzed.

  11. Modelling of melt motion in a Czochralski crystal puller with an axial magnetic field

    NASA Astrophysics Data System (ADS)

    Hjellming, L. N.; Walker, J. S.

    1986-12-01

    The use of matched asymptotic expansions provide analytical solutions for the bulk flow in a Czochralski crystal puller in a strong axial magnetic field. Treating the crystal as a slight electrical conductor alters the radial and axial flows driven by centrifugal pumping. The motion due to buoyancy and thermocapillarity are found by considering the temperature as a known function and solving the non-linear heat equation numerically for different magnetic field strengths and melt depths. This note presents a summary of the analysis and results that are detailed in two papers.

  12. Accurate force fields and methods for modelling organic molecular crystals at finite temperatures.

    PubMed

    Nyman, Jonas; Pundyke, Orla Sheehan; Day, Graeme M

    2016-06-21

    We present an assessment of the performance of several force fields for modelling intermolecular interactions in organic molecular crystals using the X23 benchmark set. The performance of the force fields is compared to several popular dispersion corrected density functional methods. In addition, we present our implementation of lattice vibrational free energy calculations in the quasi-harmonic approximation, using several methods to account for phonon dispersion. This allows us to also benchmark the force fields' reproduction of finite temperature crystal structures. The results demonstrate that anisotropic atom-atom multipole-based force fields can be as accurate as several popular DFT-D methods, but have errors 2-3 times larger than the current best DFT-D methods. The largest error in the examined force fields is a systematic underestimation of the (absolute) lattice energy.

  13. Fringing field suppression for liquid crystal gratings using equivalent capacitance configuration

    NASA Astrophysics Data System (ADS)

    Yang, Lei; Xia, Jun; Zhang, Xiaobing; Xie, Yi; Kang, Mingwu; Zhang, Qiuzhi

    2014-10-01

    A liquid crystal grating with high spatial frequency and equivalent capacitance configuration is proposed, where two layers of periodical ground electrodes are interlaced and aligned with the addressing electrodes. The equivalent capacitance configuration can reduce the fringing field effect efficiently owing to the generated electric field resisting the fringing field and redistributing the equivalent voltage exerting on the liquid crystal layer. The phase modulation depth and far-field diffraction patterns both for conventional and novel configurations were simulated. The results show that phase modulation is greatly enhanced and the maximum diffraction efficiency for a sinusoidal phase grating is 33.86%, which indicates that the equivalent capacitance configuration provides a good solution for suppressing the fringing field effect.

  14. Study of Fluid Flow Control in Protein Crystallization using Strong Magnetic Fields

    NASA Astrophysics Data System (ADS)

    Ramachandran, Narayanan; Leslie, Fred; Ciszak, Ewa

    2002-11-01

    An important component in biotechnology, particularly in the area of protein engineering and rational drug design is the knowledge of the precise three-dimensional molecular structure of proteins. The quality of structural information obtained from X-ray diffraction methods is directly dependent on the degree of perfection of the protein crystals. As a consequence, the growth of high quality macromolecular crystals for diffraction analyses has been the central focus for biochemists, biologists, and bioengineers. Macromolecular crystals are obtained from solutions that contain the crystallizing species in equilibrium with higher aggregates, ions, precipitants, other possible phases of the protein, foreign particles, the walls of the container, and a likely host of other impurities. By changing transport modes in general, i.e., reduction of convection and sedimentation, as is achieved in "microgravity", researchers have been able to dramatically affect the movement and distribution of macromolecules in the fluid, and thus their transport, formation of crystal nuclei, and adsorption to the crystal surface. While a limited number of high quality crystals from space flights have been obtained, as the recent National Research Council (NRC) review of the NASA microgravity crystallization program pointed out, the scientific approach and research in crystallization of proteins has been mainly empirical yielding inconclusive results. We postulate that we can reduce convection in ground-based experiments and we can understand the different aspects of convection control through the use of strong magnetic fields and field gradients. Whether this limited convection in a magnetic field will provide the environment for the growth of high quality crystals is still a matter of conjecture that our research will address. The approach exploits the variation of fluid magnetic susceptibility with concentration for this purpose and the convective damping is realized by appropriately

  15. Study of Fluid Flow Control in Protein Crystallization using Strong Magnetic Fields

    NASA Technical Reports Server (NTRS)

    Ramachandran, Narayanan; Leslie, Fred; Ciszak, Ewa

    2002-01-01

    An important component in biotechnology, particularly in the area of protein engineering and rational drug design is the knowledge of the precise three-dimensional molecular structure of proteins. The quality of structural information obtained from X-ray diffraction methods is directly dependent on the degree of perfection of the protein crystals. As a consequence, the growth of high quality macromolecular crystals for diffraction analyses has been the central focus for biochemists, biologists, and bioengineers. Macromolecular crystals are obtained from solutions that contain the crystallizing species in equilibrium with higher aggregates, ions, precipitants, other possible phases of the protein, foreign particles, the walls of the container, and a likely host of other impurities. By changing transport modes in general, i.e., reduction of convection and sedimentation, as is achieved in "microgravity", researchers have been able to dramatically affect the movement and distribution of macromolecules in the fluid, and thus their transport, formation of crystal nuclei, and adsorption to the crystal surface. While a limited number of high quality crystals from space flights have been obtained, as the recent National Research Council (NRC) review of the NASA microgravity crystallization program pointed out, the scientific approach and research in crystallization of proteins has been mainly empirical yielding inconclusive results. We postulate that we can reduce convection in ground-based experiments and we can understand the different aspects of convection control through the use of strong magnetic fields and field gradients. Whether this limited convection in a magnetic field will provide the environment for the growth of high quality crystals is still a matter of conjecture that our research will address. The approach exploits the variation of fluid magnetic susceptibility with concentration for this purpose and the convective damping is realized by appropriately

  16. An unforeseen polymorph of coronene by the application of magnetic fields during crystal growth

    PubMed Central

    Potticary, Jason; Terry, Lui R.; Bell, Christopher; Papanikolopoulos, Alexandros N.; Christianen, Peter C. M.; Engelkamp, Hans; Collins, Andrew M.; Fontanesi, Claudio; Kociok-Köhn, Gabriele; Crampin, Simon; Da Como, Enrico; Hall, Simon R.

    2016-01-01

    The continued development of novel drugs, proteins, and advanced materials strongly rely on our ability to self-assemble molecules in solids with the most suitable structure (polymorph) in order to exhibit desired functionalities. The search for new polymorphs remains a scientific challenge, that is at the core of crystal engineering and there has been a lack of effective solutions to this problem. Here we show that by crystallizing the polyaromatic hydrocarbon coronene in the presence of a magnetic field, a polymorph is formed in a β-herringbone structure instead of the ubiquitous γ-herringbone structure, with a decrease of 35° in the herringbone nearest neighbour angle. The β-herringbone polymorph is stable, preserves its structure under ambient conditions and as a result of the altered molecular packing of the crystals, exhibits significant changes to the optical and mechanical properties of the crystal. PMID:27161600

  17. An unforeseen polymorph of coronene by the application of magnetic fields during crystal growth

    NASA Astrophysics Data System (ADS)

    Potticary, Jason; Terry, Lui R.; Bell, Christopher; Papanikolopoulos, Alexandros N.; Christianen, Peter C. M.; Engelkamp, Hans; Collins, Andrew M.; Fontanesi, Claudio; Kociok-Köhn, Gabriele; Crampin, Simon; da Como, Enrico; Hall, Simon R.

    2016-05-01

    The continued development of novel drugs, proteins, and advanced materials strongly rely on our ability to self-assemble molecules in solids with the most suitable structure (polymorph) in order to exhibit desired functionalities. The search for new polymorphs remains a scientific challenge, that is at the core of crystal engineering and there has been a lack of effective solutions to this problem. Here we show that by crystallizing the polyaromatic hydrocarbon coronene in the presence of a magnetic field, a polymorph is formed in a β-herringbone structure instead of the ubiquitous γ-herringbone structure, with a decrease of 35° in the herringbone nearest neighbour angle. The β-herringbone polymorph is stable, preserves its structure under ambient conditions and as a result of the altered molecular packing of the crystals, exhibits significant changes to the optical and mechanical properties of the crystal.

  18. Pulsed field actuation of Ni-Mn-Ga ferromagnetic shape memory alloy single crystal

    NASA Astrophysics Data System (ADS)

    Marioni, M.; Bono, D.; Banful, A. B.; del Rosario, M.; Rodriguez, E.; Peterson, B. W.; Allen, S. M.; O'Handley, R. C.

    2003-10-01

    Ferromagnetic Shape Memory Alloy Ni-Mn-Ga has twin boundaries in the martensitic phase that move when a suitable magnetic field is applied. In this fashion strains of up to 6% have been observed for static fields in single crystals [1]. Recently 2.5% strain has been demonstrated [2] in Ni-Mn-Ga single crystals for oscillating fields up to frequencies of 75 Hz (150 Hz actuation). This work studies the actuation of single crystals when pulsed fields are applied. Fields in the 0.4-1.5MA/m-range were generated in an air coil with rise times of the order of 1ms and below. The elongation of the samples is measured with a light beam reflected off the tip of the crystal. Single twin boundaries have been observed to advance 0.16 mm during 600 μsec-ong pulses. Actuation has been shown to be possible at least up to frequencies of 1700 Hz.

  19. Effects of a Rotating Magnetic Field on Gas Transport During Detached Crystal Growth in Space

    NASA Technical Reports Server (NTRS)

    Walker, John S.; Volz, Martin P.; Szofran, Frank R.; Motakef, Shariar; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    During the detached Bridgman growth of semiconductor crystals, the melt has a short free surface which is detached from the ampoule wall near the crystal-melt interface, thus eliminating the crystal defects caused by contact with the ampoule wall. Recent modelling has indicated that initiation and continuation of detached growth depends on the rate of transport of dissolved gas from the crystal-melt interface, where gas is rejected into the melt, to the detached free surface, where evaporating gas maintains the pressure on the free surface. Here we use numerical modelling to investigate whether the application of a rotating magnetic field increases or decreases the transport of rejected gas to the detached free surface. Unfortunately the results show that a rotating magnetic field almost always decreases the evaporation rate at the detached free surface. The exception is an insignificant increase for a short period at the beginning of crystal growth for a few circumstances. The evaporation rate decreases as the strength of the rotating magnetic field is increased.

  20. A full field, 3-D velocimeter for microgravity crystallization experiments

    NASA Technical Reports Server (NTRS)

    Brodkey, Robert S.; Russ, Keith M.

    1991-01-01

    The programming and algorithms needed for implementing a full-field, 3-D velocimeter for laminar flow systems and the appropriate hardware to fully implement this ultimate system are discussed. It appears that imaging using a synched pair of video cameras and digitizer boards with synched rails for camera motion will provide a viable solution to the laminar tracking problem. The algorithms given here are simple, which should speed processing. On a heavily loaded VAXstation 3100 the particle identification can take 15 to 30 seconds, with the tracking taking less than one second. It seeems reasonable to assume that four image pairs can thus be acquired and analyzed in under one minute.

  1. Polymorphism, crystal nucleation and growth in the phase-field crystal model in 2D and 3D

    NASA Astrophysics Data System (ADS)

    Tóth, Gyula I.; Tegze, György; Pusztai, Tamás; Tóth, Gergely; Gránásy, László

    2010-09-01

    We apply a simple dynamical density functional theory, the phase-field crystal (PFC) model of overdamped conservative dynamics, to address polymorphism, crystal nucleation, and crystal growth in the diffusion-controlled limit. We refine the phase diagram for 3D, and determine the line free energy in 2D and the height of the nucleation barrier in 2D and 3D for homogeneous and heterogeneous nucleation by solving the respective Euler-Lagrange (EL) equations. We demonstrate that, in the PFC model, the body-centered cubic (bcc), the face-centered cubic (fcc), and the hexagonal close-packed structures (hcp) compete, while the simple cubic structure is unstable, and that phase preference can be tuned by changing the model parameters: close to the critical point the bcc structure is stable, while far from the critical point the fcc prevails, with an hcp stability domain in between. We note that with increasing distance from the critical point the equilibrium shapes vary from the sphere to specific faceted shapes: rhombic dodecahedron (bcc), truncated octahedron (fcc), and hexagonal prism (hcp). Solving the equation of motion of the PFC model supplied with conserved noise, solidification starts with the nucleation of an amorphous precursor phase, into which the stable crystalline phase nucleates. The growth rate is found to be time dependent and anisotropic; this anisotropy depends on the driving force. We show that due to the diffusion-controlled growth mechanism, which is especially relevant for crystal aggregation in colloidal systems, dendritic growth structures evolve in large-scale isothermal single-component PFC simulations. An oscillatory effective pair potential resembling those for model glass formers has been evaluated from structural data of the amorphous phase obtained by instantaneous quenching. Finally, we present results for eutectic solidification in a binary PFC model.

  2. Three dimensional simulation of melt flow in Czochralski crystal growth with steady magnetic fields

    NASA Astrophysics Data System (ADS)

    Cen, Xianrong; Li, Y. S.; Zhan, Jiemin

    2012-02-01

    Three-dimensional transient numerical simulations were carried out to investigate the melt convection and temperature fluctuations within an industrial Czochralski crucible. To study the magnetic damping effects on the growth process, a vertical magnetic field and a cusp magnetic field were considered. Due to our special interest in the melt convection, only local simulation was conducted. The melt flow was calculated by large-eddy simulation (LES) and the magnetic forces were implemented in the CFD code by solving a set of user-defined scalar (UDS) functions. In the absence of magnetic fields, the numerical results show that the buoyant plumes rise from the crucible to the free surface and the crystal-melt interface, which indicates that the heat and mass transfer phenomena in Si melt can be characterized by the turbulent flow patterns. In the presence of a vertical magnetic field, the temperature fluctuations in the melt are significantly damped, with the buoyant plumes forming regular cylindrical geometries. The cusp magnetic field could also markedly reduce the temperature fluctuations, but the buoyant plumes would break into smaller vortical structures, which gather around the crystal as well as in the center of the crucible bottom. With the present crucible configurations, it is found that the vertical magnetic field with an intensity of 128 mT can damp the temperature fluctuations more effectively than the 40 mT cusp magnetic field, especially in the region near the growing crystal.

  3. Determination of odd-symmetry crystal-field parameters from optical spectra

    NASA Astrophysics Data System (ADS)

    Kornienko, A. A.; Dunina, E. B.; Fomicheva, L. A.

    2014-05-01

    We have obtained analytical expressions for effective parameters of the crystal field that acts on spin-orbit multiplets of 4 f N configurations taking into account admixture to them of 4 f N-15 d excited states and ligand-to-metal charge-transfer states. As an example, we analyze splittings of the ground and excited multiplets of Pr3+ and Tm2+ ions in some crystals without an inversion center. The effect of mixing of states of different configurations is most strongly pronounced for the 1 G 4 and 1 D 2 excited multiplets. The interconfigurational contribution to splittings is different for different multiplets. This circumstance makes it possible to estimate the values of the parameters of the odd-symmetry crystal field, which causes mixing of the 4 f N and 4 f N-15 d states, and the covalence parameters of rare-earth ion-ligand bonds.

  4. Electric Field-Controlled Crystallizing CaCO3 Nanostructures from Solution

    NASA Astrophysics Data System (ADS)

    Qi, Jian Quan; Guo, Rui; Wang, Yu; Liu, Xuan Wen; Chan, Helen Lai Wah

    2016-03-01

    The role of electric field is investigated in determining the structure, morphology, and crystallographic characteristics of CaCO3 nanostructures crystallized from solution. It is found that the lattice structure and crystalline morphology of CaCO3 can be tailed by the electric field applied to the solution during its crystallization. The calcite structure with cubic-like morphology can be obtained generally without electric field, and the vaterite structure with the morphology of nanorod is formed under the high electric field. The vaterite nanorods can be piled up to the petaliform layers. Both the nanorod and the petaliform layer can have mesocrystal structures which are piled up by much fine units of the rods with the size of several nanometers. Beautiful rose-like nanoflowers can be self-arranged by the petaliform layers. These structures can have potential application as carrier for medicine to involve into metabolism of living cell.

  5. Electric-field-induced domain intersection in BaTiO3 single crystal

    NASA Astrophysics Data System (ADS)

    He, Ming; Wang, Mengxia; Zhang, Zhihua

    2017-03-01

    Large-angle convergent beam electron diffraction was used to determine the directions of polarization vectors in a BaTiO3 single crystal. Domain intersections driven by an electric field were investigated by in situ transmission electron microscopy. The dark triangles observed in the domain intersection region can be accounted for by dislocations and the strain field. Domains nucleate at the domain tip depending on the dislocations and strain field to relieve the accumulated stress. Schematic representations of the intersecting domains and the microscopic structure are given, clarifying the special electric-field-induced domain structure.

  6. Crystal Field Theory and the Angular Overlap Model Applied to Hydrides of Main Group Elements.

    ERIC Educational Resources Information Center

    Moore, E. A.

    1990-01-01

    Described is how crystal field theory and the angular overlap model can be applied to very simple molecules which can then be used to introduce such concepts as bonding orbitals, MO diagrams, and Walsh diagrams. The main-group compounds are used as examples and a switch to the transition metal complexes. (KR)

  7. Assembly of colloidal molecules, polymers, and crystals in acoustic and magnetic fields.

    PubMed

    Yang, Ye; Pham, An T; Cruz, Daniela; Reyes, Christopher; Wiley, Benjamin J; Lopez, Gabriel P; Yellen, Benjamin B

    2015-08-26

    A dynamically adjustable colloidal assembly technique is presented, which combines magnetic and acoustic fields to produce a wide range of colloidal structures, ranging from discrete colloidal molecules, to polymer networks and crystals. The structures can be stabilized and dried, making them suitable for the fabrication of advanced materials.

  8. Scaling of crystal field parameters between Pd 2REIn and Pd 2RESn

    NASA Astrophysics Data System (ADS)

    Babateen, M.; Neumann, K.-U.; Ziebeck, K. R. A.

    1995-02-01

    Experimentally it is found that crystal field (CF) parameters between the same rare earth compounds in the alloy series Pd 2REIn and Pd 2RESn (RE = rare earth element) exhibit scaling properties. A phenomenological model is put forward to explain this observation.

  9. Measurement of temperature and velocity fields of freezing water using liquid crystal tracers

    NASA Astrophysics Data System (ADS)

    Kowalewski, Tomasz A.

    A new experimental technique based on a computational analysis of the colour and displacement of thermochromic liquid crystal tracers was applied to determine both the temperature and velocity fields of freezing water. The technique combines Digital Particle Image Thermometry and Digital Particle Image Velocimetry. Full 2-D temperature and velocity fields are determined from a pair or a longer sequence, of colour images taken for the selected cross-section of the flow.

  10. Near-field observation of subwavelength confinement of photoluminescence by a photonic crystal microcavity.

    PubMed

    Louvion, Nicolas; Rahmani, Adel; Seassal, Christian; Callard, Ségolène; Gérard, Davy; de Fornel, Frédérique

    2006-07-15

    We present a direct, room-temperature near-field optical study of light confinement by a subwavelength defect microcavity in a photonic crystal slab containing quantum-well sources. The observations are compared with three-dimensional finite-difference time-domain calculations, and excellent agreement is found. Moreover, we use a subwavelength cavity to study the influence of a near-field probe on the imaging of localized optical modes.

  11. Crystal field and magnetoelastic interactions in Tb2Ti2O7

    NASA Astrophysics Data System (ADS)

    Klekovkina, V. V.; Malkin, B. Z.

    2014-06-01

    In terms of a semiphenomenological exchange charge model, we have obtained estimates of parameters of the crystal field and parameters of the electron-deformation interaction in terbium titanate Tb2Ti2O7 with a pyrochlore structure. The obtained set of parameters has been refined based on the analysis of spectra of neutron inelastic scattering and Raman light scattering, field dependences of the forced magnetostriction, and temperature dependences of elastic constants.

  12. High Field Magnetization measurements of uranium dioxide single crystals (P08358- E003-PF)

    SciTech Connect

    Gofryk, K.; Harrison, N.; Jaime, M.

    2014-12-01

    Our preliminary high field magnetic measurements of UO2 are consistent with a complex nature of the magnetic ordering in this material, compatible with the previously proposed non-collinear 3-k magnetic structure. Further extensive magnetic studies on well-oriented (<100 > and <111>) UO2 crystals are planned to address the puzzling behavior of UO2 in both antiferromagnetic and paramagnetic states at high fields.

  13. Electronic transitions, crystal field effects and phonons in UO 2

    NASA Astrophysics Data System (ADS)

    Schoenes, J.

    1980-08-01

    An extensive optical study of the 5f magnetic semiconductor UO 2 is presented. The experimental data include near normal incidence reflectivity measurements from 0.0025 to 13 eV, absorption and Faraday rotation measurements as function of temperature and of magnetic fields up to 100 kOe and photoemission results. From the data in the fundamental absorption region an energy level scheme is derived. This level scheme differs markedly from an earlier model but it is quantitatively supported by a calculation using the thermochemical Haber-Born process and also by cluster calculations. The localized nature of the 5f electrons is demonstrated. The absorption edge at 2 eV shows an abrupt shift to lower energies at the first order phase transition of UO 2 to the antiferromagnetic state. This shift is shown to be larger than expected from the lattice contraction indicating a magnetic order induced contribution to the total red shift. Below the absorption edge, intra-5f transitions and multiphonon excitations are reported, showing striking order induced effects at and below TN = 30.8 K. New results are presented for ε st, ε opt, ω TO and ω LO which fulfill the Lyddane-Sachs-Teller relation.

  14. Bridging the terahertz near-field and far-field observations of liquid crystal based metamaterial absorbers

    NASA Astrophysics Data System (ADS)

    Wang, Lei; Ge, Shijun; Chen, Zhaoxian; Hu, Wei; Lu, Yanqing

    2016-09-01

    Metamaterial-based absorbers play a significant role in applications ranging from energy harvesting and thermal emitters to sensors and imaging devices. The middle dielectric layer of conventional metamaterial absorbers has always been solid. Researchers could not detect the near field distribution in this layer or utilize it effectively. Here, we use anisotropic liquid crystal as the dielectric layer to realize electrically fast tunable terahertz metamaterial absorbers. We demonstrate strong, position-dependent terahertz near-field enhancement with sub-wavelength resolution inside the metamaterial absorber. We measure the terahertz far-field absorption as the driving voltage increases. By combining experimental results with liquid crystal simulations, we verify the near-field distribution in the middle layer indirectly and bridge the near-field and far-field observations. Our work opens new opportunities for creating high-performance, fast, tunable, terahertz metamaterial devices that can be applied in biological imaging and sensing. Project supported by the National Basic Research Program of China (Grant No. 2012CB921803), the National Natural Science Foundation of China (Grants Nos. 61225026, 61490714, 11304151, and 61435008), the Natural Science Foundation of Jiangsu Province, China (Grant Nos. BK20150845 and 15KJB140004), the Open Foundation Project of National Laboratory of Solid State Microstructures, China (Grant No. M28003), and the Research Center of Optical Communications Engineering & Technology, Jiangsu Province, China.

  15. Patterning technology for solution-processed organic crystal field-effect transistors

    NASA Astrophysics Data System (ADS)

    Li, Yun; Sun, Huabin; Shi, Yi; Tsukagoshi, Kazuhito

    2014-04-01

    Organic field-effect transistors (OFETs) are fundamental building blocks for various state-of-the-art electronic devices. Solution-processed organic crystals are appreciable materials for these applications because they facilitate large-scale, low-cost fabrication of devices with high performance. Patterning organic crystal transistors into well-defined geometric features is necessary to develop these crystals into practical semiconductors. This review provides an update on recent development in patterning technology for solution-processed organic crystals and their applications in field-effect transistors. Typical demonstrations are discussed and examined. In particular, our latest research progress on the spin-coating technique from mixture solutions is presented as a promising method to efficiently produce large organic semiconducting crystals on various substrates for high-performance OFETs. This solution-based process also has other excellent advantages, such as phase separation for self-assembled interfaces via one-step spin-coating, self-flattening of rough interfaces, and in situ purification that eliminates the impurity influences. Furthermore, recommendations for future perspectives are presented, and key issues for further development are discussed.

  16. Negative Refractive Bi-Crystal with Broken Symmetry Leading to Unusual Fields in Guided Wave Heterostructures

    NASA Astrophysics Data System (ADS)

    Krowne, Clifford

    2004-03-01

    A recent finding has shown that a unixial bi-crystal shows negative refraction (NR) [1], a property in common with recent left-handed metamaterials examined for physics of focusing behavior and of field distributions [2], and field contouring effects in electronic structures [3]. This is a very interesting property related to energy wave front motion and has an analog in electron ballistic motion in a semiconductor heterostructure too. The property which yields NR, breaks field symmetry, and allows asymmetric distributions of electromagnetic fields in the cross-section in which heterostructure layering occurs when propagation is normal to this cross-section in a longitudinal direction. What is all the more remarkable is that individual heterostructure layers are not field symmetry breaking and do not lead to asymmetric field distributions. In fact when a single crystal is inserted in a guiding structure, nothing special happens. When heterostructure layering is constructive, successive layers could enhance the effect. We demonstrate here for the first time, using a model stripline structure to guide the wave, that a bi-crystal will indeed produce asymmetric rf electric and magnetic distributions. Calculations were done with an ab initio approach using an anisotropic Greens function which allows the physical properties of the uniaxial crystals to be treated via their tensors. The results have important implications for microwave devices which rely on asymmetric field distributions. One could envision wide application in monolithic integrated circuits in terms of devices utilizing both microwave and millimeter transmission as well as optical transmission using dielectric waveguiding structures. [1] Y. Zhang, B. Fluegel and A. Mascarenhas, Phys. Rev. Lett. 91, 157404 (Oct. 2003). [2] C. M. Krowne, Phys. Rev. Lett. 92, to be publ. (2004). [3] C. M. Krowne, IEEE Trans. Microwave Theory & Tech. 51, (Dec. 2003).

  17. Effect of electric field on reentrance transition in a binary mixture of liquid crystals

    NASA Astrophysics Data System (ADS)

    Kumari, Sunita; Singh, S.

    2015-12-01

    Employing a phenomenological mean field theory, we analyze the effect of an electric field on the N - SmA phase transition for pure liquid crystal and on the reentrant nematic phase in a binary mixture of liquid crystals exhibiting the phase sequence I - N - SmA - NR on cooling. The basic idea of the work is to explain the phase transition behavior of the system by assuming that certain Landau coefficients associated with the order parameters coupling terms of the free-energy density expansion are field dependent. These parameters play a crucial role and show a rapid variation at the SmA - NR transition as compared to the SmA - N transition.

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

    SciTech Connect

    Lim, Hojun; Owen, Steven J.; Abdeljawad, Fadi F.; Hanks, Byron; Battaile, Corbett Chandler

    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.

  19. Crystal field excitations in CeCu2Ge2: Revisited employing a single crystal and inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Loewenhaupt, Michael; Faulhaber, Enrico; Schneidewind, Astrid; Deppe, Micha; Hradil, Klaudia

    2012-04-01

    The intermetallic compound, CeCu2Ge2, is the counterpart of the heavy-fermion superconductor CeCu2Si2. CeCu2Ge2 is a magnetically ordering (TN = 4.1K) Kondo lattice with a moderate Sommerfeld coefficient of 140 mJ/ molK2. Earlier inelastic neutron measurements on a polycrystalline sample revealed a doublet ground state and a quasi-quartet excited state at 16.5 meV, although a splitting of the 4f1 (J = 5/2) ground state multiplet into 3 doublets is expected from the point symmetry of the Ce3+ ions. We performed detailed inelastic neutron scattering experiments on a single crystal at the thermal triple-axis spectrometer PUMA at FRM II for different crystallographic directions. From our results we infer that the quasi-quartet, in fact, consists of two doublets at 17.0 and 18.3 meV which exhibit a strong directional dependence of their transition matrix elements to the ground state doublet. Finally, we will present a new set of crystal field parameters.

  20. Fiber optic dynamic electric field sensor based on nematic liquid crystal Fabry-Perot etalon

    NASA Astrophysics Data System (ADS)

    Ko, Myeong Ock; Kim, Sung-Jo; Kim, Jong-Hyun; Jeon, Min Yong

    2014-05-01

    We propose a fiber-optic dynamic electric field sensor using a nematic liquid crystal (NLC) Fabry-Perot etalon and a wavelength-swept laser. The transmission wavelength of the NLC Fabry-Perot etalon depends on the applied electric field intensity. The change in the effective refractive index of the NLC is measured while changing the applied electric field intensity. It decreases from 1.67 to 1.51 as the applied the electric field intensity is increased. Additionally, we successfully measure the dynamic variation of the electric field using the high-speed wavelength-swept laser. By measuring the modulation frequency of the transmission peaks in the temporal domain, the frequency of the modulated electric field can be estimated.

  1. Selective Precipitation and Concentrating of Perovskite Crystals from Titanium-Bearing Slag Melt in Supergravity Field

    NASA Astrophysics Data System (ADS)

    Gao, Jintao; Zhong, Yiwei; Guo, Zhancheng

    2016-08-01

    Selective precipitation and concentrating of perovskite crystals from titanium-bearing slag melt in the supergravity field was investigated in this study. Since perovskite was the first precipitated phase from the slag melt during the cooling process, and a greater precipitation quantity and larger crystal sizes of perovskite were obtained at 1593 K to 1563 K (1320 °C to 1290 °C), concentrating of perovskite crystals from the slag melt was carried out at this temperature range in the supergravity field, at which the perovskite transforms into solid particles while the other minerals remain in the liquid melt. The layered structures appeared significantly in the sample obtained by supergravity treatment, and all the perovskite crystals moved along the supergravity direction and concentrated as the perovskite-rich phase in the bottom area, whereas the molten slag concentrated in the upper area along the opposite direction, in which it was impossible to find any perovskite crystals. With the gravity coefficient of G = 750, the mass fraction of TiO2 in the perovskite-rich phase was up to 34.65 wt pct, whereas that of the slag phase was decreased to 12.23 wt pct, and the recovery ratio of Ti in the perovskite-rich phase was up to 75.28 pct. On this basis, an amplification experimental centrifugal apparatus was exploited and the continuous experiment with larger scale was further carried out, the results confirming that selective precipitation and concentrating of perovskite crystals from the titanium-bearing slag melt by supergravity was a feasible method.

  2. Influence of electromagnetic field intensity on the metastable zone width of CaCO3 crystallization in circulating water

    NASA Astrophysics Data System (ADS)

    Wang, Jianguo; Liang, Yandong; Chen, Si

    2016-09-01

    In this study, changes in the metastable zone width of CaCO3 crystallization was determined through conductivity titration by altering electromagnetic field parameters applied to the circulating water system. The critical conductivity value and metastable zone curves of CaCO3 crystallization were determined under different solution concentrations and electromagnetic field intensities. Experimental results indicate that the effect of the electromagnetic field intensity on the critical conductivity value intensifies with the increase of solution concentration. Moreover, the metastable zone width of CaCO3 crystallization increases with the increase of electromagnetic field intensity within 200 Gs, thereby prolonging the induction period of nucleation.

  3. Spectral and polarization structure of field-induced photonic bands in cholesteric liquid crystals

    NASA Astrophysics Data System (ADS)

    Palto, S. P.; Barnik, M. I.; Geivandov, A. R.; Kasyanova, I. V.; Palto, V. S.

    2015-09-01

    Transmission of planar layers of cholesteric liquid crystals is studied in pulsed electric fields perpendicular to the helix axis at normal incidence of both linearly polarized and unpolarized light. Spectral and light polarization properties of the primary photonic band and the field-induced bands up to fourth order of Bragg selective reflection are studied in detail. In our experiments we have achieved an electric field strength several times higher than the theoretical values corresponding to the critical field of full helix unwinding. However, the experiments show that despite the high strength of the electric field applied the helix does not unwind, but strongly deforms, keeping its initial spatial period. Strong helix deformation results in distinct spectral band splitting, as well as very high field-induced selective reflectance that can be applied in lasers and other optoelectronic devices. Peculiarities of inducing and splitting the bands are discussed in terms of the scattering coefficient approach. All observed effects are confirmed by numerical simulations. The simulations also show that liquid crystal surface anchoring is not the factor that prevents the helix unwinding. Thus, the currently acknowledged concept of continuous helix unwinding in the electric field should be reconsidered.

  4. Milestone in the History of Field-Effect Liquid Crystal Displays and Materials

    NASA Astrophysics Data System (ADS)

    Schadt, Martin

    2009-03-01

    The history of digital electronics would have been very different without the invention of field-effect liquid crystal displays (LCDs) in 1970 and their sophisticated development and implementation into numerous products. Transmissive and reflective LCDs have become a key interface between man and machine. After almost 40 years of interdisciplinary R+D and engineering, today's LCDs enable virtually all display applications, including high definition television. Field-effect LCDs are characterized by flat design, low weight, low driving voltage, design flexibility, compatibility with silicon-on-glass and very low power consumption, especially in reflection. Their polarization-sensitive layer concept is the basis for sandwiching and integration of optical and electronic thin-film functions. The liquid crystal technology has become a fast growing industry over the past 38 years, today surpassing 100 billion, with many spin-offs into new areas. Prerequisite for field-effect LCDs and their large diversification potential is the unique self-organization of liquid crystals. New applications beyond displays based on self-organisation, smart boundary alignment, dedicated liquid crystalline materials and the ability of LCs to respond to electromagnetic fields, including light, are being developed. Examples for new applications are LC polymer thin-film optics, or synergies between LCDs and solid state back-lighting, such as inorganic and organic light emitting diodes (LEDs/OLEDs).

  5. Interfacial free energy adjustable phase field crystal model for homogeneous nucleation.

    PubMed

    Guo, Can; Wang, Jincheng; Wang, Zhijun; Li, Junjie; Guo, Yaolin; Huang, Yunhao

    2016-05-18

    To describe the homogeneous nucleation process, an interfacial free energy adjustable phase-field crystal model (IPFC) was proposed by reconstructing the energy functional of the original phase field crystal (PFC) methodology. Compared with the original PFC model, the additional interface term in the IPFC model effectively can adjust the magnitude of the interfacial free energy, but does not affect the equilibrium phase diagram and the interfacial energy anisotropy. The IPFC model overcame the limitation that the interfacial free energy of the original PFC model is much less than the theoretical results. Using the IPFC model, we investigated some basic issues in homogeneous nucleation. From the viewpoint of simulation, we proceeded with an in situ observation of the process of cluster fluctuation and obtained quite similar snapshots to colloidal crystallization experiments. We also counted the size distribution of crystal-like clusters and the nucleation rate. Our simulations show that the size distribution is independent of the evolution time, and the nucleation rate remains constant after a period of relaxation, which are consistent with experimental observations. The linear relation between logarithmic nucleation rate and reciprocal driving force also conforms to the steady state nucleation theory.

  6. Measurements of mode field diameter and effective area of photonic crystal fibers by far-field scanning technique

    NASA Astrophysics Data System (ADS)

    Miyagi, Kazuya; Namihira, Yoshinori; Razzak, S. M. Abdur; Kaijage, Shubi F.; Begum, Feroza

    2010-07-01

    We have demonstrated that the correction factor k n = A eff/( πw 2), where ω = MFD/2 (MFD: mode field diameter), is above 1.20 for photonic crystal fibers (PCFs) with structural parameters in the range of d/Λ ≅ 0.40 to 0.90 ( d/Λ ratio of hole diameter d and pitch Λ). By using the far-field scanning (FFS) technique and the finite difference method, the results of experimental measurements and numerical simulations differed by only 0.9 to 3.0% for two types of PCFs. The finding that k n ≠ 1.0 for PCFs indicates that their electrical field distribution is non-Gaussian and cannot be determined by assuming a conventional step-index distribution for PCFs. It was also found that the ITU-T Petermann II definition is the most suitable for MFD measurements of PCFs with non-Gaussian distribution.

  7. Emergence of foams from the breakdown of the phase field crystal model

    NASA Astrophysics Data System (ADS)

    Guttenberg, Nicholas; Goldenfeld, Nigel; Dantzig, Jonathan

    2010-06-01

    The phase field crystal (PFC) model captures the elastic and topological properties of crystals with a single scalar field at small undercooling. At large undercooling, new foamlike behavior emerges. We characterize this foam phase of the PFC equation and propose a modified PFC equation that may be used for the simulation of foam dynamics. This minimal model reproduces von Neumann’s rule for two-dimensional dry foams and Lifshitz-Slyozov coarsening for wet foams. We also measure the coordination number distribution and find that its second moment is larger than previously reported experimental and theoretical studies of soap froths, a finding that we attribute to the wetness of the foam increasing with time.

  8. Flow and temperature field measurements of thermal convection in a small vertical gap using liquid crystals

    NASA Astrophysics Data System (ADS)

    Heiland, Hans Georg; Wozniak, Günter; Wozniak, Klaus

    2007-07-01

    Thermal convection in a small vertical gap is studied experimentally applying digital particle image velocimetry/thermometry. This optical method enables the simultaneous measurement of two-dimensional flow and temperature fields in a liquid. The principle is based on seeding the liquid flow medium with thermochromic liquid crystal particles. The temperature is measured by the crystal particles which change their reflected colour as function of temperature. The flow velocity is measured by using the same particles as flow tracers. The investigation shall contribute to the understanding of the fluid mechanical behaviour of biological liquids within micro reactor systems. However, the problem is also of fundamental interest as far as heat and mass transfer is concerned. Measured temperature and flow velocity fields are presented and discussed.

  9. Rubrene crystal field-effect mobility modulation via conducting channel wrinkling.

    PubMed

    Reyes-Martinez, Marcos A; Crosby, Alfred J; Briseno, Alejandro L

    2015-05-05

    With the impending surge of flexible organic electronic technologies, it has become essential to understand how mechanical deformation affects the electrical performance of organic thin-film devices. Organic single crystals are ideal for the systematic study of strain effects on electrical properties without being concerned about grain boundaries and other defects. Here we investigate how the deformation affects the field-effect mobility of single crystals of the benchmark semiconductor rubrene. The wrinkling instability is used to apply local strains of different magnitudes along the conducting channel in field-effect transistors. We discover that the mobility changes as dictated by the net strain at the dielectric/semiconductor interface. We propose a model based on the plate bending theory to quantify the net strain in wrinkled transistors and predict the change in mobility. These contributions represent a significant step forward in structure-function relationships in organic semiconductors, critical for the development of the next generation of flexible electronic devices.

  10. Direct mapping of local director field of nematic liquid crystals at the nanoscale

    PubMed Central

    Xia, Yu; Serra, Francesca; Kamien, Randall D.; Stebe, Kathleen J.; Yang, Shu

    2015-01-01

    Liquid crystals (LCs), owing to their anisotropy in molecular ordering, are of wide interest in both the display industry and soft matter as a route to more sophisticated optical objects, to direct phase separation, and to facilitate colloidal assemblies. However, it remains challenging to directly probe the molecular-scale organization of nonglassy nematic LC molecules without altering the LC directors. We design and synthesize a new type of nematic liquid crystal monomer (LCM) system with strong dipole–dipole interactions, resulting in a stable nematic phase and strong homeotropic anchoring on silica surfaces. Upon photopolymerization, the director field can be faithfully “locked,” allowing for direct visualization of the LC director field and defect structures by scanning electron microscopy (SEM) in real space with 100-nm resolution. Using this technique, we study the nematic textures in more complex LC/colloidal systems and calculate the extrapolation length of the LCM. PMID:26621729

  11. Glassy phases and driven response of the phase-field-crystal model with random pinning.

    PubMed

    Granato, E; Ramos, J A P; Achim, C V; Lehikoinen, J; Ying, S C; Ala-Nissila, T; Elder, K R

    2011-09-01

    We study the structural correlations and the nonlinear response to a driving force of a two-dimensional phase-field-crystal model with random pinning. The model provides an effective continuous description of lattice systems in the presence of disordered external pinning centers, allowing for both elastic and plastic deformations. We find that the phase-field crystal with disorder assumes an amorphous glassy ground state, with only short-ranged positional and orientational correlations, even in the limit of weak disorder. Under increasing driving force, the pinned amorphous-glass phase evolves into a moving plastic-flow phase and then, finally, a moving smectic phase. The transverse response of the moving smectic phase shows a vanishing transverse critical force for increasing system sizes.

  12. Self-consistent density functional calculations of the crystal field levels in lanthanide and actinide dioxides

    NASA Astrophysics Data System (ADS)

    Zhou, Fei; Ozoliņš, Vidvuds

    2012-02-01

    Using a recently developed method combining a nonspherical self-interaction corrected LDA + U scheme and an on-site multibody Hamiltonian [Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.83.085106 83, 085106 (2011)], we calculate the crystal field parameters and crystal field (CF) excitation levels of f-element dioxides in the fluorite structure with fn electronic configurations, including n=1 (PaO2, PrO2), n=2 (UO2), n=3 (NpO2), and n=4 (PuO2). It is shown that good agreement with experimental data (within approximately 10-20 meV) can be obtained in all cases. The properties of the multielectron CF ground states are analyzed.

  13. Intense THz radiation produced in organic salt crystals for high-field applications

    NASA Astrophysics Data System (ADS)

    Vicario, C.; Ruchert, C.; Hauri, C. P.

    2013-03-01

    Organic stilbazolium salt crystals pumped by intense, ultrashort mid-infrared laser have been investigated for efficient THz generation by optical rectification. In this paper we present our latest results in view of the generation of single-cycle and high-field THz transient in the THz gap (0.1-10 THz). The organic rectifiers like DAST, OH1 and DSTMS combine extremely large optical susceptibility with excellent velocity matching between the infrared pump and the THz radiation. Our simple collinear conversion scheme provides THz beams with excellent focusing properties and single cycle electric field larger than 1.5 MV/cm and magnetic field strength beyond 0.5 Tesla. The source can potentially cover the full THz gap at field strength which is barely provided by other THz sources. The THz pulse is carrier-envelope phase stable and the polarity of the field can be easily inverted.

  14. Electric Field-Induced Skyrmion Crystals via Charged Monopoles in Insulating Helimagets

    NASA Astrophysics Data System (ADS)

    Watanabe, Haruki; Vishwanath, Ashvin

    2016-06-01

    Electrons propagating in a magnetically ordered medium experience an additional gauge field associated with the Berry phase of their spin following the local magnetic texture. In contrast to the usual electromagnetic field, this gauge field admits monopole excitations, corresponding to hedgehog defects of the magnetic order. In an insulator, these hedgehogs carry a well-defined electric charge allowing for them to be controlled by electric fields. One particularly robust mechanism that contributes to the charge is the orbital magnetoelectric effect, captured by a θ angle, which leads to a charge of eθ/2π on hedgehogs. This is a direct consequence of the Witten effect for magnetic monopoles in a θ medium. A physical consequence is that external electric fields can induce skyrmion crystal phases in insulating helimagnets.

  15. Enhanced magnetic-field-induced optical properties of nanostructured magnetic fluids by doping nematic liquid crystals

    NASA Astrophysics Data System (ADS)

    Wang, Xiang; Pu, Shengli; Ji, Hongzhu; Yu, Guojun

    2012-05-01

    Ferronematic materials composed of 4-cyano-4'-pentylbiphenyl nematic liquid crystal and oil-based Fe3O4 magnetic fluid were prepared using ultrasonic agitation. The birefringence (Δ n) and figure of merit of optical properties ( Q = Δ n/α, where α is the extinction coefficient) of pure magnetic fluids and the as-prepared ferronematic materials were examined and compared. The figure of merit of optical properties weighs the birefringence and extinction of the materials and is more appropriate to evaluate their optical properties. Similar magnetic-field- and magnetic-particle-concentration-dependent properties of birefringence and figure of merit of optical properties were obtained for the pure magnetic fluids and the ferronematic materials. For the ferronematic materials, the values of Q increase with the volume fractions of nematic liquid crystal under certain fixed field strength and are larger than those of their corresponding pure magnetic fluids at high field region. In addition, the enhancement of Q value increases monotonously with the magnetic field and becomes remarkable when the applied magnetic field is beyond 50 mT. The maximum relative enhanced value of Q R exceeds 6.8% in our experiments. The results of this work may conduce to extend the pragmatic applications of nanostructured magnetic fluids in optical field.

  16. Dust Lattice Waves in Two-Dimensional Hexagonal Dust Crystals with an External Magnetic Field

    SciTech Connect

    Farokhi, B.; Shahmansouri, M.

    2008-09-07

    The influence of a constant magnetic field on the propagation of dust-lattice (DL) modes in a two-dimensional hexagonal strongly coupled plasma crystal formed by paramagnetic particles is considered. 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 Lorentz force acting on the dust particles.

  17. Tunable extended depth of field using a liquid crystal annular spatial filter.

    PubMed

    Klapp, Iftach; Solodar, Asi; Abdulhalim, Ibrahim

    2014-03-15

    A tunable extended depth of field (EDOF) imaging is presented using temporal multiplexing and a low-cost eight-ring, annular liquid crystal spatial light modulator. By changing between different phase profiles in the pupil plane of a lens we perform several levels of EDOF. Using these levels as a "database" it is shown by temporal multiplexing how to decompose tunable levels of EDOF.

  18. Hyperspectral optical near-field imaging: Looking graded photonic crystals and photonic metamaterials in color

    NASA Astrophysics Data System (ADS)

    Dellinger, Jean; Van Do, K.; Le Roux, Xavier; de Fornel, Frédérique; Cassan, Eric; Cluzel, Benoît

    2012-10-01

    Using a scanning near-field optical microscope operating with a hyperspectral detection scheme, we report the direct observation of the mirage effect within an on-chip integrated artificial material made of a two dimensional graded photonic crystal. The light rainbow due to the material dispersion is quantified experimentally and quantitatively compared to three dimensional plane wave assisted Hamiltonian optics predictions of light propagation.

  19. Rheology of Pure Glasses and Crystal Bearing Melts: from the Newtonian Field to the Brittle Onset

    NASA Astrophysics Data System (ADS)

    Cordonnier, B.; Caricchi, L.; Pistone, M.; Castro, J. M.; Hess, K.; Dingwell, D. B.

    2010-12-01

    The brittle-ductile transition remains a central question of modern geology. If rocks can be perceived as a granular flow on geological time-scale, their behavior is brittle in dynamic areas. Understanding rock failure conditions is the main parameter in mitigating geological risks, more specifically the eruptive style transitions from effusive to explosive. If numerical simulations are the only way to fully understanding the physical processes involved, we are in a strong need of an experimental validation of the proposed models. here we present results obtained under torsion and uni-axial compression on both pure glasses and crystal bearing melts. We characterized the brittle onset of two phases magmas from 0 to 65% crystals. The strain-rates span a 5 orders magnitude range, from the Newtonian flow to the Brittle field (10-5 - 100 s-1). We particularly emphasize the time dependency of the measured rheology. The materials tested are a borosilicate glass from the National Bureau of Standards, a natural sample from Mt Unzen volcano and a synthetic sample. The lattest is an HPG8 melt with 7% sodium mole excess. The particles are quasi-isometric corundum crystalschosen for their shape and integrity under the stress range investigated. The crystal fraction ranges from 0 to 0.65. Concerning pure magmas, we recently demonstrated that the material passes from a Newtonian to a non-Nemtonian behavior with increasing strain-rate. This onset can mostly be explained by viscous-heating effects. However, for even greater strain-rates, the material cracks and finally fail. The brittle onset is here explained with the visco-elastic theory and corresponds to a Deborah number greater than 10-2. Concerning crystal bearing melts the departure from the Newtonian state is characterized by two effects: a shear-thinning and a time weakening effect. The first one is instantaneous and loading-unloading cyclic tests suggest an elastic contribution of the crystal network. The second one

  20. Crystal field parameters with Wannier functions: Application to rare-earth aluminates

    NASA Astrophysics Data System (ADS)

    Novák, P.; Knížek, K.; Kuneš, J.

    2013-05-01

    A method to calculate the crystal field parameters is proposed and applied to trivalent rare-earth impurities in yttrium aluminate and to Tb3+ ion in TbAlO3. To determine crystal field parameters local Hamiltonian expressed in the basis of Wannier functions is expanded in a series of spherical tensor operators. Wannier functions are obtained by transforming the Bloch functions calculated using the density functional theory based program. The results show that the crystal field is continuously decreasing as the number of 4f electrons increases and that the hybridization of 4f states with the states of oxygen ligands is important. The method contains a single adjustable parameter characterizing the 4f-ligand charge transfer. Theory is confronted with experiment for Nd3+ and Er3+ ions in the YAlO3 matrix and for the Tb3+ ion in TbAlO3, and a good agreement within a few meV is found.

  1. Crystal field and magnetism of Pr3+ and Nd3+ ions in orthorhombic perovskites

    NASA Astrophysics Data System (ADS)

    Novák, P.; Knížek, K.; Maryško, M.; Jirák, Z.; Kuneš, J.

    2013-11-01

    Fifteen parameters characterizing the crystal field of rare-earth ions in the RMO3 perovskites (R=Pr, Nd, M=Ga, Co) are calculated using a first-principles electronic structure and the Wannier projection. The method contains a single adjustable parameter that characterizes the hybridization of R(4f) states with the states of oxygen ligands. Subsequently the energy levels and magnetic moments of the trivalent R ion are determined by diagonalization of an effective Hamiltonian which, besides the crystal field, contains the 4f electron-electron repulsion, spin-orbit coupling and interaction with magnetic field. In the Ga compounds the energy levels of the ground multiplet agree within a few meV with those determined experimentally by other authors. For all four compounds in question the temperature dependence of magnetic susceptibility is measured on polycrystalline samples and compared with the results of calculation. For NdGaO3 the theory is also compared with the magnetic measurements on a single crystal presented by Luis et al (1998 Phys. Rev. B 58 798). Good agreement between the experiment and theory is found.

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

    NASA Astrophysics Data System (ADS)

    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).

  3. First visualization of temperature fields in liquids at high pressure using thermochromic liquid crystals

    NASA Astrophysics Data System (ADS)

    Pehl, M.; Werner, F.; Delgado, A.

    A first application of encapsulated thermochromic liquid crystals (TLCs) for visualizing temperature fields in pressurized liquids was studied experimentally. By means of a tempered high-pressure optical cell, investigations were performed in a wide temperature range and at pressures up to 7000bar. The measured calibration curves of isochromes in the pressure/temperature domain as well as photographically documented temperature fields at high pressure are presented and discussed. The results found illustrate that TLCs provide an efficient instrument for investigating thermofluiddynamical processes even at high pressure.

  4. Slave Boson Theory of Orbital Differentiation with Crystal Field Effects: Application to UO2

    NASA Astrophysics Data System (ADS)

    Lanatà, Nicola; Yao, Yongxin; Deng, Xiaoyu; Dobrosavljević, Vladimir; Kotliar, Gabriel

    2017-03-01

    We derive an exact operatorial reformulation of the rotational invariant slave boson method, and we apply it to describe the orbital differentiation in strongly correlated electron systems starting from first principles. The approach enables us to treat strong electron correlations, spin-orbit coupling, and crystal field splittings on the same footing by exploiting the gauge invariance of the mean-field equations. We apply our theory to the archetypical nuclear fuel UO2 and show that the ground state of this system displays a pronounced orbital differentiation within the 5 f manifold, with Mott-localized Γ8 and extended Γ7 electrons.

  5. A molecular-field approximation for quantum crystals. Ph.D. Thesis; [considering ground state properties

    NASA Technical Reports Server (NTRS)

    Danilowicz, R.

    1973-01-01

    Ground-state properties of quantum crystals have received considerable attention from both theorists and experimentalists. The theoretical results have varied widely with the Monte Carlo calculations being the most successful. The molecular field approximation yields ground-state properties which agree closely with the Monte Carlo results. This approach evaluates the dynamical behavior of each pair of molecules in the molecular field of the other N-2 molecules. In addition to predicting ground-state properties that agree well with experiment, this approach yields data on the relative importance of interactions of different nearest neighbor pairs.

  6. Modeling Multiple Time Scales during Glass Formation with Phase-Field Crystals

    SciTech Connect

    Berry, Joel; Grant, Martin

    2011-04-29

    The dynamics of glass formation in monatomic and binary liquids are studied numerically using a microscopic field theory for the evolution of the time-averaged atomic number density. A stochastic framework combining phase-field crystal free energies and dynamic density functional theory is shown to successfully describe several aspects of glass formation over multiple time scales. Agreement with mode coupling theory is demonstrated for underdamped liquids at moderate supercoolings, and a rapidly growing dynamic correlation length is found to be associated with fragile behavior.

  7. A photonic-crystal optical antenna for extremely large local-field enhancement.

    PubMed

    Chang, Hyun-Joo; Kim, Se-Heon; Lee, Yong-Hee; Kartalov, Emil P; Scherer, Axel

    2010-11-08

    We propose a novel design of an all-dielectric optical antenna based on photonic-band-gap confinement. Specifically, we have engineered the photonic-crystal dipole mode to have broad spectral response (Q~70) and well-directed vertical-radiation by introducing a plane mirror below the cavity. Considerably large local electric-field intensity enhancement~4,500 is expected from the proposed design for a normally incident planewave. Furthermore, an analytic model developed based on coupled-mode theory predicts that the electric-field intensity enhancement can easily be over 100,000 by employing reasonably high-Q (~10,000) resonators.

  8. Crystal fields of porphyrins and phthalocyanines from polarization-dependent 2p-to-3d multiplets.

    PubMed

    Johnson, Phillip S; García-Lastra, J M; Kennedy, Colton K; Jersett, Nathan J; Boukahil, Idris; Himpsel, F J; Cook, Peter L

    2014-03-21

    Polarization-dependent X-ray absorption spectroscopy is combined with density functional calculations and atomic multiplet calculations to determine the crystal field parameters 10Dq, Ds, and Dt of transition metal phthalocyanines and octaethylporphyrins (Mn, Fe, Co, Ni). The polarization dependence facilitates the assignment of the multiplets in terms of in-plane and out-of-plane orbitals and avoids ambiguities. Crystal field values from density functional calculations provide starting values close to the optimum fit of the data. The resulting systematics of the crystal field can be used for optimizing electron-hole separation in dye-sensitized solar cells.

  9. Crystal fields of porphyrins and phthalocyanines from polarization-dependent 2p-to-3d multiplets

    SciTech Connect

    Johnson, Phillip S.; Boukahil, Idris; Himpsel, F. J.; García-Lastra, J. M.; Kennedy, Colton K.; Jersett, Nathan J.; Cook, Peter L.

    2014-03-21

    Polarization-dependent X-ray absorption spectroscopy is combined with density functional calculations and atomic multiplet calculations to determine the crystal field parameters 10Dq, Ds, and Dt of transition metal phthalocyanines and octaethylporphyrins (Mn, Fe, Co, Ni). The polarization dependence facilitates the assignment of the multiplets in terms of in-plane and out-of-plane orbitals and avoids ambiguities. Crystal field values from density functional calculations provide starting values close to the optimum fit of the data. The resulting systematics of the crystal field can be used for optimizing electron-hole separation in dye-sensitized solar cells.

  10. Crystal fields of porphyrins and phthalocyanines from polarization-dependent 2p-to-3d multiplets

    NASA Astrophysics Data System (ADS)

    Johnson, Phillip S.; García-Lastra, J. M.; Kennedy, Colton K.; Jersett, Nathan J.; Boukahil, Idris; Himpsel, F. J.; Cook, Peter L.

    2014-03-01

    Polarization-dependent X-ray absorption spectroscopy is combined with density functional calculations and atomic multiplet calculations to determine the crystal field parameters 10Dq, Ds, and Dt of transition metal phthalocyanines and octaethylporphyrins (Mn, Fe, Co, Ni). The polarization dependence facilitates the assignment of the multiplets in terms of in-plane and out-of-plane orbitals and avoids ambiguities. Crystal field values from density functional calculations provide starting values close to the optimum fit of the data. The resulting systematics of the crystal field can be used for optimizing electron-hole separation in dye-sensitized solar cells.

  11. Molecular dynamics simulations of dislocations in TlBr crystals under an electrical field

    SciTech Connect

    Zhou, X. W.; Foster, M. E.; Yang, P.; Doty, F. P.

    2016-07-13

    TlBr crystals have superior radiation detection properties; however, their properties degrade in the range of hours to weeks when an operating electrical field is applied. To account for this rapid degradation using the widely-accepted vacancy migration mechanism, the vacancy concentration must be orders of magnitude higher than any conventional estimates. The present work has incorporated a new analytical variable charge model in molecular dynamics (MD) simulations to examine the structural changes of materials under electrical fields. Our simulations indicate that dislocations in TlBr move under electrical fields. As a result, this discovery can lead to new understanding of TlBr aging mechanisms under external fields.

  12. Nematic liquid crystals in a spatially step-wise magnetic field

    NASA Astrophysics Data System (ADS)

    Napoli, Gaetano; Scaraggi, Michele

    2016-01-01

    We study the molecular reorientation induced by a textured external field in a nematic liquid crystal (nLC). In particular, we consider an infinitely wide cell with strong planar anchoring boundary conditions, subjected to a spatially periodic piecewise magnetic field. In the framework of the Frank's continuum theory, we use the perturbation analysis to study in detail the field-induced splay-bend Fréedericksz transition. A numerical approach, based on the finite differences method, is instead employed to solve the fully nonlinear equations. At high field strengths, an analytic approach allows us to draw the bulk profile of the director in terms of elliptic integrals. Finally, through the application of the Bruggeman texture hydrodynamics theory, we qualitatively discuss on the LCs piecewise director configuration under sliding interfaces, which can be adopted to actively regulate friction. Our study opens the pathway for the application of highly controlled nLC texturing for tribotronics.

  13. Wide-Viewing-Angle Hybrid Aligned Nematic Liquid Crystal Cell Controlled by Complex Electric Field

    NASA Astrophysics Data System (ADS)

    Hong, Seung Ho; Kim, Hyang Yul; Kim, Jae-Hyung; Nam, Sang-Hee; Lee, Myong-Hoon; Lee, Seung Hee

    2002-07-01

    We have developed a hybrid aligned nematic liquid crystal (LC) cell driven by a complex electric field. In the device, the pixel electrode exists on the bottom substrate and the counter electrodes exist on the top and bottom substrates such that with a bias voltage both vertical and horizontal fields are generated. The LC molecules are hybrid aligned with homogeneous alignment on the bottom substrate where the alignment direction is coincident with one of the transmission axes of the crossed polarizers. Therefore, the cell appears to be black in the absence of an electric field. When a voltage is applied to obtain a white state, both vertical and horizontal fields enable the LC molecules to rotate with lowered tilt angles than those in the dark state. The device shows a much wider viewing angle than that of the twisted nematic mode, high light efficiency and low driving voltage in electro-optic characteristics.

  14. Molecular dynamics simulations of dislocations in TlBr crystals under an electrical field

    DOE PAGES

    Zhou, X. W.; Foster, M. E.; Yang, P.; ...

    2016-07-13

    TlBr crystals have superior radiation detection properties; however, their properties degrade in the range of hours to weeks when an operating electrical field is applied. To account for this rapid degradation using the widely-accepted vacancy migration mechanism, the vacancy concentration must be orders of magnitude higher than any conventional estimates. The present work has incorporated a new analytical variable charge model in molecular dynamics (MD) simulations to examine the structural changes of materials under electrical fields. Our simulations indicate that dislocations in TlBr move under electrical fields. As a result, this discovery can lead to new understanding of TlBr agingmore » mechanisms under external fields.« less

  15. On the fringing-field effect in liquid-crystal beam-steering devices.

    PubMed

    Apter, Boris; Efron, Uzi; Bahat-Treidel, Eldad

    2004-01-01

    A detailed simulation of the fringing-field effect in liquid-crystal (LC)-based blazed-grating structures has been carried out. These studies are aimed at clarifying the relationship between the width of the fringing-field-broadened phase profile of the blazed grating and the LC cell thickness. This fringing-field broadening of the blazed grating's phase profile is shown to affect mostly the 2pi phase-step zone (fly-back zone) of the blazed grating. The results of the simulations carried out on the blazed-grating structure indicate two main effects of the fringing field: (1) reduction in the attainable diffraction efficiency and (2) limitation of the maximum deflection angle of the device. Both effects are shown to be directly linked to the broadening of the fly-back zone, which is shown to be proportional to the LC cell thickness.

  16. All-fiber magnetic field sensors based on magnetic fluid-filled photonic crystal fibers.

    PubMed

    Gao, R; Jiang, Y; Abdelaziz, S

    2013-05-01

    A method for measurement of a magnetic field by combining photonic crystal fibers (PCFs) and magnetic fluid is presented and experimentally demonstrated. The magnetic fluid is filled into the air holes of the cladding layer in the PCF. Due to the tunable refractive index property of the magnetic fluid, the refractive index difference between the fiber core and cladding layer is changed with the external magnetic field. The magnetic field can be directly detected by measuring the intensity of the transmission light. A series of magnetic fields with different strengths have been measured with the sensor. The experimental results show that a resolution of up to 0.09 Oe is achieved, and a good repetition is demonstrated experimentally. Compared with other expensive methods, the proposed method possesses high sensitivity and low cost.

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

    SciTech Connect

    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.

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

    SciTech Connect

    Armas-Pérez, Julio C.; Londono-Hurtado, Alejandro; Guzmán, Orlando; Hernández-Ortiz, Juan P.; Pablo, Juan J. de

    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.

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

    PubMed

    Armas-Pérez, Julio C; Londono-Hurtado, Alejandro; Guzmán, Orlando; Hernández-Ortiz, Juan P; de Pablo, Juan J

    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.

  20. High magnetic-field scales and critical currents in SmFeAs(O, F) crystals

    NASA Astrophysics Data System (ADS)

    Moll, Philip J. W.; Puzniak, Roman; Balakirev, Fedor; Rogacki, Krzysztof; Karpinski, Janusz; Zhigadlo, Nikolai D.; Batlogg, Bertram

    2010-08-01

    With the discovery of new superconducting materials, such as the iron pnictides, exploring their potential for applications is one of the foremost tasks. Even if the critical temperature Tc is high, intrinsic electronic properties might render applications difficult, particularly if extreme electronic anisotropy prevents effective pinning of vortices and thus severely limits the critical current density, a problem well known for cuprates. Although many questions concerning microscopic electronic properties of the iron pnictides have been successfully addressed and estimates point to a very high upper critical field, their application potential is less clear. Thus, we focus here on the critical currents, their anisotropy and the onset of electrical dissipation in high magnetic fields up to 65T. Our detailed study of the transport properties of SmFeAsO0.7F0.25 single crystals reveals a promising combination of high (>2×106Acm-2) and nearly isotropic critical current densities along all crystal directions. This favourable intragrain current transport in SmFeAs(O, F), which shows the highest Tc of 54K at ambient pressure, is a crucial requirement for possible applications. Essential in these experiments are four-probe measurements on focused-ion-beam-cut single crystals with a sub-square-micrometre cross-section, with current along and perpendicular to the crystallographic c axis.

  1. Magnetic-field-driven surface electromagnetic states in the graphene-antiferromagnetic photonic crystal system

    SciTech Connect

    Averkov, Yu. O. Tarapov, S. I.; Yakovenko, V. M.; Yampol’skii, V. A.

    2015-04-15

    The surface electromagnetic states (SEMSs) on graphene, which has a linear carrier dispersion law and is placed in an antiferromagnetic photonic crystal, are theoretically studied in the terahertz frequency range. The unit cell of such a crystal consists of layers of a nonmagnetic insulator and a uniaxial antiferromagnet, the easy axis of which is parallel to the crystal layers. A dc magnetic field is parallel to the easy axis of the antiferromagnet. An expression that relates the SEMS frequencies to the structure parameters is obtained. The problem of SEMS excitation by an external TE-polarized electromagnetic wave is solved, and the dependences of the transmission coefficient on the dc magnetic field and the carrier concentration are constructed. These dependences are shown to differ substantially from the case of a conventional two-dimensional electron gas with a quadratic electron dispersion law. Thus, the positions of the transmission coefficient peaks related to resonance SEMS excitation can be used to determine the character of carrier dispersion law in a two-dimensional electron gas.

  2. Effect of field driven phase transformations on the loss tangent of relaxor ferroelectric single crystals

    NASA Astrophysics Data System (ADS)

    Gallagher, John A.; Liu, Tieqi; Lynch, Christopher S.

    2013-02-01

    The effect of a bias stress induced phase transformation on the large field dielectric loss in [001] cut and poled single crystal stack actuators of (1 - x)Pb(Mg1/3Nb2/3)O3-xPbTiO3 (PMN-xPT, x = 32) was experimentally characterized. Dielectric loss was observed to increase with compressive preload and electric field amplitude. The dielectric loss was determined by measuring the area within electric displacement vs. electric field hysteresis loops and the measured area was expressed in terms of an effective loss tangent. This approach matches the measured area within the hysteresis loop to an equivalent area ellipse in which the electric displacement lags the electric field by an amount, delta, under sinusoidal loading. The results collapse the measured loss as a function of bias stress and electric field amplitude reasonably close to a single curve. The measured dielectric loss behavior was attributed to the compressive stress preload driving a partial phase transformation from rhombohedral to orthorhombic and the electric field driving the reverse phase transformation from the stress induced orthorhombic phase to the zero stress rhombohedral phase. When the compressive bias stress partially or fully drives this phase transformation, the dielectric loss under unipolar electric field loading increases. This work is focused on quasi-static measurements. The large field dielectric loss is anticipated to be a function of frequency and temperature.

  3. Imaging the oblique propagation of electrons in germanium crystals at low temperature and low electric field

    SciTech Connect

    Moffatt, R. A. Cabrera, B.; Corcoran, B. M.; Kreikebaum, J. M.; Redl, P.; Shank, B.; Yen, J. J.; Young, B. A.; Brink, P. L.; Cherry, M.; Tomada, A.; Phipps, A.; Sadoulet, B.; Sundqvist, K. M.

    2016-01-11

    Excited electrons in the conduction band of germanium collect into four energy minima, or valleys, in momentum space. These local minima have highly anisotropic mass tensors which cause the electrons to travel in directions which are oblique to an applied electric field at sub-Kelvin temperatures and low electric fields, in contrast to the more isotropic behavior of the holes. This experiment produces a full two-dimensional image of the oblique electron and hole propagation and the quantum transitions of electrons between valleys for electric fields oriented along the [0,0,1] direction. Charge carriers are excited with a focused laser pulse on one face of a germanium crystal and then drifted through the crystal by a uniform electric field of strength between 0.5 and 6 V/cm. The pattern of charge density arriving on the opposite face is used to reconstruct the trajectories of the carriers. Measurements of the two-dimensional pattern of charge density are compared in detail with Monte Carlo simulations developed for the Cryogenic Dark Matter Search (SuperCDMS) to model the transport of charge carriers in high-purity germanium detectors.

  4. Direct current electric field assembly of colloidal crystals displaying reversible structural color.

    PubMed

    Shah, Aayush A; Ganesan, Mahesh; Jocz, Jennifer; Solomon, Michael J

    2014-08-26

    We report the application of low-voltage direct current (dc) electric fields to self-assemble close-packed colloidal crystals in nonaqueous solvents from colloidal spheres that vary in size from as large as 1.2 μm to as small as 0.1 μm. The assemblies are created rapidly (∼2 min) from an initially low volume fraction colloidal particle suspension using a simple capacitor-like electric field device that applies a steady dc electric voltage. Confocal microscopy is used to observe the ordering that is produced by the assembly method. This spatial evidence for ordering is consistent with the 6-fold diffraction patterns identified by light scattering. Red, green, and blue structural color is observed for the ordered assemblies of colloids with diameters of 0.50, 0.40, and 0.29 μm, respectively, consistent with spectroscopic measurements of reflectance. The diffraction and spectrophotometry results were found to be consistent with the theoretical Bragg's scattering expected for closed-packed crystals. By switching the dc electric field from on to off, we demonstrate reversibility of the structural color response on times scales ∼60 s. The dc electric field assembly method therefore represents a simple method to produce reversible structural color in colloidal soft matter.

  5. General equations for the motions of ice crystals and water drops in gravitational and electric fields

    NASA Technical Reports Server (NTRS)

    Nisbet, John S.

    1988-01-01

    General equations for the Reynolds number of a variety of types of ice crystals and water drops are given in terms of the Davies, Bond, and Knudsen numbers. The equations are in terms of the basic physical parameters of the system and are valid for calculating velocities in gravitational and electric fields over a very wide range of sizes and atmospheric conditions. The equations are asymptotically matched at the bottom and top of the size spectrum, useful when checking large computer codes. A numerical system for specifying the dimensional properties of ice crystals is introduced. Within the limits imposed by such variables as particle density, which have large deviations, the accuracy of velocities appears to be within 10 percent over the entire range of sizes of interest.

  6. Remanent magnetization of ceramic and single-crystal high-Tc superconductors in tilted magnetic fields

    NASA Astrophysics Data System (ADS)

    Bugoslavsky, Yu. V.; Minakov, A. A.; Vasyurin, S. I.

    1996-02-01

    Dependence of the remanent magnetization (Mr) anisotropy on the structure and shape of the superconductor and on the magnetizing procedure was studied for a number of high-Tc superconductor ceramics and single crystals. The experiments were done by means of a vibrating-sample magnetometer with a rotatable sample holder. It was found that the main contribution to the anisotropic behavior of Mr is due to the surface screening currents, and therefore the anisotropy is subject to variation when sample shape is changed. The question is resolved, why the effective demagnetization factors for decoupled ceramic samples are different from those calculated in the inscribed-ellipsoid approximation. Influence of inhomogeneous grain magnetization and global bulk currents on the angular dependencies of Mr in ceramic samples is investigated. The evolution of remanence in YBCO single crystals with an increase of the magnetizing field is described within an extended Bean model.

  7. Temperature and Field Induced Strain Measurements in Single Crystal Gd5Si2Ge2

    NASA Astrophysics Data System (ADS)

    McCall, S. K.; Nersessian, N.; Carman, G. P.; Pecharsky, V. K.; Schlagel, D. L.; Radousky, H. B.

    2016-06-01

    The first-order magneto-structural transformation that occurs in Gd5Si2Ge2 near room temperature makes it a strong candidate for many energy harvesting applications. Understanding the single crystal properties is crucial for allowing simulations of device performance. In this study, magnetically and thermally induced transformation strains were measured in a single crystal of Gd5Si2.05Ge1.95 as it transforms from a high-temperature monoclinic paramagnet to a lower-temperature orthorhombic ferromagnet. Thermally induced transformation strains of -8500 ppm, +960 ppm and +1800 ppm, and magnetically induced transformation strains of -8500 ppm, +900 ppm and +2300 ppm were measured along the a, b and c axes, respectively. Using experimental data coupled with general thermodynamic considerations, a universal phase diagram was constructed showing the transition from the monoclinic to the orthorhombic phase as a function of temperature and magnetic field.

  8. General equations for the motions of ice crystals and water drops in gravitational and electric fields

    NASA Technical Reports Server (NTRS)

    Nisbet, John S.

    1989-01-01

    General equations for the Reynolds number of a variety of types of ice crystals and water drops are given in terms of the Davies, Bond, and Knudsen numbers. The equations are in terms of the basic physical parameters of the system and are valid for calculating velocities in gravitational and electric fields over a very wide range of sizes and atmospheric conditions. The equations are asymptotically matched at the bottom and top of the size spectrum, useful when checking large computer codes. A numerical system for specifying the dimensional properties of ice crystals is introduced. Within the limits imposed by such variables as particle density, which have large deviations, the accuracy of velocities appears to be within 10 percent over the entire range of sizes of interest.

  9. Crystal size of epidotes: A potentially exploitable geothermometer in geothermal fields

    SciTech Connect

    Patrier, P.; Beaufort, D.; Touchard, G. ); Fouillac, A.M. )

    1990-11-01

    Crystal size of epidotes crystallized in quartz + epidote veins is used as the basis for a new geothermometer from the fossil geothermal field of Saint Martin (Lesser Antilles). The epidote-bearing alteration paragenesis is developed as far as 3 km from a quartz diorite pluton at temperatures of 220-350C. The length/width ratio of the epidote grains is constant for all the analyzed samples and suggests isotropic growth environments. However, the length and width of the grains vary exponentially with temperature. The obtained results offer new perspectives for simple grain-size geothermomentry but must be extended to other geologic environments to clarify the influence of different rock types.

  10. Orientation of growing crystals of Co- or Gd-containing L-threonine dehydrogenase by magnetic fields

    NASA Astrophysics Data System (ADS)

    Maki, Syou; Ishikawa, Kazuhiko; Ataka, Mitsuo

    2009-12-01

    L-Threonine dehydrogenase from Pyrococcus horikoshii (TDH) is a water-soluble metalloenzyme, the molecular structure of which has been unknown until recently. The Zn 2+ ion in the native TDH, prepared as a recombinant protein, is replaced artificially with Co 2+, Ni 2+ or Gd 3+. These samples are crystallized in homogeneous magnetic fields of 2-10 T. Half of the Co- or Gd-substituted crystals show magnetic orientation in a field of 2 T at 278 K whereas the crystals of the native TDH require a 4 T magnetic field for half orientation. The sensitivity to magnetic orientation can thus be increased by metal substitution. On the other hand, we cannot assign clear changes in the size, number, and quality of the native and metal-substituted crystals with and without the presence of the magnetic field.

  11. Effects of a high magnetic field on the primary zinc-rich crystals in hypoeutectic Zn-Sn alloy

    NASA Astrophysics Data System (ADS)

    Li, Lei; Ban, Chunyan; Shi, Xuchen; Zhang, Haitao; Zuo, Yubo; Zhu, Qingfeng; Wang, Xiangjie; Zhang, Hui; Cui, Jianzhong; Nagaumi, Hiromi

    2017-04-01

    The effects of a high magnetic field on the primary zinc-rich crystals during the solidification process of hypoeutectic Zn-Sn were investigated, along with the analysis of crystallographic orientations of them. The results show that the primary zinc-rich crystals in two dimensions show column-like or dendritic forms whether without and with the HMF. However, they are highly aligned and textured by the application of a high magnetic field: with the longer axis parallel to but the crystallographic c axis perpendicular to the magnetic field. The two-dimensional forms of the primary zinc-rich crystals are related to their orientations relative to the observation planes. The orientation and alignment modification by the magnetic field arises from the induced magnetic torques due to the magnetocrystalline anisotropy of the zinc-rich crystals, which makes them in energetically optimal orientations.

  12. Crystal field interaction in the pyrochlore magnet Ho{sub 2}Ti{sub 2}O{sub 7}.

    SciTech Connect

    Rosenkranz, S.; Ramirez, A. P.; Hayashi, A.; Cava, R. J.; Siddharthan, R.; Shastry, B. S.

    1999-09-30

    Neutron time-of-flight spectroscopy has been employed to study the crystal field interaction in the pyrochlore titanate Ho{sub 2}Ti{sub 2}O{sub 7}. The crystal field parameters and corresponding energy level scheme have been determined from a profile fit to the observed neutron spectra. The groundstate is a well separated E{sub g} doublet with a strong Ising like anisotropy, which can give rise to titration in the pyrochlore lattice. Using the crystal field parameters determined for the Ho compound as an estimate of the crystal field interaction in other pyrochlore magnets, we also find the Ising type behavior for Dy. In contrast, the almost planar like anisotropy found for Er and Yb prevents frustration, because of the continuous range of possible spin orientations in this case.

  13. Assessment of biomolecular force fields for molecular dynamics simulations in a protein crystal.

    PubMed

    Hu, Zhongqiao; Jiang, Jianwen

    2010-01-30

    Different biomolecular force fields (OPLS-AA, AMBER03, and GROMOS96) in conjunction with SPC, SPC/E and TIP3P water models are assessed for molecular dynamics simulations in a tetragonal lysozyme crystal. The root mean square deviations for the C(a) atoms of lysozymes are about 0.1 to 0.2 nm from OPLS-AA and AMBER03, smaller than 0.4 nm from GROMOS96. All force fields exhibit similar pattern in B-factors, whereas OPLS-AA and AMBER03 accurately reproduce experimental measurements. Despite slight variations, the primary secondary structures are well conserved using different force fields. Water diffusion in the crystal is approximately ten-fold slower than in bulk phase. The directional and average water diffusivities from OPLS-AA and AMBER03 along with SPC/E model match fairly well with experimental data. Compared to GROMOS96, OPLS-AA and AMBER03 predict larger hydrophilic solvent-accessible surface area of lysozyme, more hydrogen bonds between lysozyme and water, and higher percentage of water in hydration shell. SPC, SPC/E and TIP3P water models have similar performance in most energetic and structural properties, but SPC/E outperforms in water diffusion. While all force fields overestimate the mobility and electrical conductivity of NaCl, a combination of OPLS-AA for lysozyme and the Kirkwood-Buff model for ions is superior to others. As attributed to the steric restraints and surface interactions, the mobility and conductivity in the crystal are reduced by one to two orders of magnitude from aqueous solution.

  14. Measurement of spatio-temporal field distribution of THz pulses in electro-optic crystal by interferometry method

    SciTech Connect

    Chizhov, P A; Ushakov, A A; Bukin, V V; Garnov, S V

    2015-05-31

    We propose a scheme for measuring the spatial distribution of the THz pulse electric field strength in an electro-optic crystal using optical interferometry. The resulting images of the field distribution from a test source with a spherical wave front are presented. (extreme light fields and their applications)

  15. Three-Dimensional Stress Fields and Slip Systems for Single Crystal Superalloy Notched Specimens

    NASA Technical Reports Server (NTRS)

    Magnan, Shannon M.; Throckmorton, David (Technical Monitor)

    2002-01-01

    Single crystal superalloys have become increasingly popular for turbine blade and vane applications due to their high strength, and creep and fatigue resistance at elevated temperatures. The crystallographic orientation of a single crystal material greatly affects its material properties, including elastic modulus, shear modulus, and ductility. These directional properties, along with the type of loading and temperature, dictate an anisotropic response in the yield strength, creep resistance, creep rupture ductility, fatigue resistance, etc. A significant amount of research has been conducted to determine the material properties in the <001> orientation, yet the material properties deviating from the <001> orientation have not been assessed for all cases. Based on the desired application and design criteria, a crystal orientation is selected to yield the maximum properties. Currently, single crystal manufacturing is able to control the primary crystallographic orientation within 15 of the target orientation, which is an acceptable deviation to meet both performance and cost guidelines; the secondary orientation is rarely specified. A common experiment is the standard load-controlled tensile test, in which specimens with different orientations can be loaded to observe the material response. The deformation behavior of single-crystal materials under tension and compression is known to be a function of not only material orientation, but also of varying microdeformation (i.e. dislocation) mechanisms. The underlying dislocation motion causes deformation via slip, and affects the activation of specific slip systems based on load and orientation. The slip can be analyzed by observing the visible traces left on the surface of the specimen from the slip activity within the single crystal material. The goal of this thesis was to predict the slip systems activated in three-dimensional stress fields of a notched tensile specimen, as a function of crystal orientation, using

  16. Enhanced electrocaloric cooling in ferroelectric single crystals by electric field reversal

    NASA Astrophysics Data System (ADS)

    Ma, Yang-Bin; Novak, Nikola; Koruza, Jurij; Yang, Tongqing; Albe, Karsten; Xu, Bai-Xiang

    2016-09-01

    An improved thermodynamic cycle is validated in ferroelectric single crystals, where the cooling effect of an electrocaloric refrigerant is enhanced by applying a reversed electric field. In contrast to the conventional adiabatic heating or cooling by on-off cycles of the external electric field, applying a reversed field is significantly improving the cooling efficiency, since the variation in configurational entropy is increased. By comparing results from computer simulations using Monte Carlo algorithms and experiments using direct electrocaloric measurements, we show that the electrocaloric cooling efficiency can be enhanced by more than 20% in standard ferroelectrics and also relaxor ferroelectrics, like Pb (Mg1 /3 /Nb2 /3)0.71Ti0.29O3 .

  17. First-order transition and tricritical behavior of the transverse crystal field spin-1 Ising model

    NASA Astrophysics Data System (ADS)

    Costabile, Emanuel; Viana, J. Roberto; de Sousa, J. Ricardo; de Arruda, Alberto S.

    2015-06-01

    The phase diagram of the spin-1 Ising model in the presence of a transverse crystal-field anisotropy (Dx) is studied within the framework of an effective-field theory with correlation. The effect of the coordination number (z) on the phase diagram in the T -Dx plane is investigated. We observe only second-order transitions for coordination number z < 7, while that for z ≥ 7 we have first- and second-order transitions, with the presence of two tricritical points. The lower tricritical temperature (Tt) decreases monotonically with the increasing value of z, and in the limit of z → ∞ we found Tt = 0, corresponding to the mean-field solution [Ricardo de Sousa and Branco, Phys. Rev. E 77 (2008) 012104] with a single tricritical point in the phase diagram.

  18. Electric field sensor based on cholesteric liquid crystal Fabry-Perot etalon

    NASA Astrophysics Data System (ADS)

    Ko, Myeong Ock; Kim, Sung-Jo; Kim, Jong-Hyun; Lee, Bong Wan; Jeon, Min Yong

    2015-09-01

    We propose an electric field sensor using a cholesteric liquid crystal (CLC) Fabry-Perot etalon and a broadband optical source. The CLC cell consists of glass substrates, polyimide layers, electrodes, and CLC layer. There is a threshold behavior for CLC cell and no change in the transmitted wavelength occurs until a threshold value. The threshold value is 0.8 V/μm for fabricated CLC cell in this experiment. The transmitted or reflected wavelength from the CLC Fabry-Perot etalon depends on the applied electric field. The valley wavelengths of the transmitted light from the CLC device are linearly increased from 1303 nm to 1317 nm as the applied electric field to the CLC device is increased from 0.8 V/μm to 1.9 V/μm.

  19. Melt Motion Due to Peltier Marking During Bridgman Crystal Growth with an Axial Magnetic Field

    NASA Technical Reports Server (NTRS)

    Sellers, C. C.; Walker, John S.; Szofran, Frank R.; Motakef, Shariar

    2000-01-01

    This paper treats a liquid-metal flow inside an electrically insulating cylinder with electrically conducting solids above and below the liquid region. There is a uniform axial magnetic field, and there is an electric current through the liquid and both solids. Since the lower liquid-solid interface is concave into the solid and since the liquid is a better electrical conductor than the adjacent solid, the electric current is locally concentrated near the centerline. The return to a uniform current distribution involves a radial electric current which interacts with the axial magnetic field to drive an azimuthal flow. The axial variation of the centrifugal force due to the azimuthal velocity drives a meridional circulation with radial and axial velocities. This problem models the effects of Peltier marking during the vertical Bridgman growth of semiconductor crystals with an externally applied magnetic field, where the meridional circulation due to the Peltier Current may produce important mixing in the molten semiconductor.

  20. Electric field induced rotation of polymer cholesteric liquid crystal flakes: mechanisms and applications

    NASA Astrophysics Data System (ADS)

    Kosc, Tanya Z.; Marshall, Kenneth L.; Jacobs, Stephen D.; Lambropoulos, John C.

    2002-12-01

    Electric fields can induce motion of polymer cholesteric liquid crystal (pCLC) flakes suspended in a fluid medium. The platelet-shaped pCLC flakes with a Grandjean texture show strong selective reflection when lying flat in the plane of a conventional cell. As their orientation with respect to normally incident light changes, their selective reflection color shifts toward the blue and diminishes until the flakes are no longer easily visible beyond 7-12° of rotation. Reproducibility and control of motion has been observed in moderately conductive host fluid. Flakes in such hosts do not respond to a DC electric field, but they rotate 90° in an AC field within a given frequency band. The response times and frequency regions for motion depend partially on the field magnitude, the dielectric properties of the host fluid and the flake geometry. We observe flakes reorienting in less than 500 ms in an electric field of 0.17 Vrms/μm, while sub-second reorientation is seen in fields as low as 5x10-2 Vrms/μm. This response time is comparable with typical electronic-paper applications, but with a significantly lower electric field. Displays using pCLC flakes would not require backlighting, sheet polarizers, color filters or alignment layers. Numerous additional applications for pCLC flakes are envisioned, including filters, polarizers, and spatial light modulators.

  1. The crystallization of apo-form UMP kinase from Xanthomonas campestris is significantly improved in a strong magnetic field

    SciTech Connect

    Tu, Jhe-Le; Chin, Ko-Hsin; Wang, Andrew H.-J.; Chou, Shan-Ho

    2007-05-01

    A bacterial UMP kinase from the plant pathogen X. campestris pathovar campestris has been overexpressed in E. coli, purified and crystallized in a strong magnetic field. The crystals diffracted to 2.35 Å. Bacterial UMP kinases (UMPKs) are crucial enzymes that are responsible for microbial UTP biosynthesis. Interestingly, eukaryotic and prokaryotic cells use different enzymes for UMP-phosphorylation reactions. Prokaryotic UMPKs are thus believed to be potential targets for antimicrobial drug development. Here, the cloning, expression and crystallization of SeMet-substituted XC1936, a bacterial UMPK from Xanthomonas campestris pathovar campestris, are reported. The crystallization of the apo-form UMPK was found to be significantly improved in a strong magnetic field; the crystals diffracted to a resolution of 2.35 Å, a dramatic improvement over the original value of 3.6 Å. Preliminary structural analyses of apo-form XC1936 using crystals grown in a strong magnetic field clearly reveal well defined loop regions involved in substrate-analogue binding that were previously not visible. Crystallization in a strong magnetic field thus was found to be indispensable in determining the flexible region of the XC1936 UMPK structure.

  2. Geomagnetic field strength 3.2 billion years ago recorded by single silicate crystals.

    PubMed

    Tarduno, John A; Cottrell, Rory D; Watkeys, Michael K; Bauch, Dorothy

    2007-04-05

    The strength of the Earth's early geomagnetic field is of importance for understanding the evolution of the Earth's deep interior, surface environment and atmosphere. Palaeomagnetic and palaeointensity data from rocks formed near the boundary of the Proterozoic and Archaean eons, some 2.5 Gyr ago, show many hallmarks of the more recent geomagnetic field. Reversals are recorded, palaeosecular variation data indicate a dipole-dominated morphology and available palaeointensity values are similar to those from younger rocks. The picture before 2.8 Gyr ago is much less clear. Rocks of the Archaean Kaapvaal craton (South Africa) are among the best-preserved, but even they have experienced low-grade metamorphism. The variable acquisition of later magnetizations by these rocks is therefore expected, precluding use of conventional palaeointensity methods. Silicate crystals from igneous rocks, however, can contain minute magnetic inclusions capable of preserving Archaean-age magnetizations. Here we use a CO2 laser heating approach and direct-current SQUID magnetometer measurements to obtain palaeodirections and intensities from single silicate crystals that host magnetite inclusions. We find 3.2-Gyr-old field strengths that are within 50 per cent of the present-day value, indicating that a viable magnetosphere sheltered the early Earth's atmosphere from solar wind erosion.

  3. Large field-induced-strain at high temperature in ternary ferroelectric crystals

    PubMed Central

    Wang, Yaojin; Chen, Lijun; Yuan, Guoliang; Luo, Haosu; Li, Jiefang; Viehland, D.

    2016-01-01

    The new generation of ternary Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 ferroelectric single crystals have potential applications in high power devices due to their surperior operational stability relative to the binary system. In this work, a reversible, large electric field induced strain of over 0.9% at room temperature, and in particular over 0.6% above 380 K was obtained. The polarization rotation path and the phase transition sequence of different compositions in these ternary systems have been determined with increasing electric field applied along [001] direction based on x-ray diffraction data. Thereafter, composition dependence of field-temperature phase diagrams were constructed, which provide compositional and thermal prospectus for the electromechanical properties. It was found the structural origin of the large stain, especially at higher temperature is the lattice parameters modulated by dual independent variables in composition of these ternary solid solution crystals. PMID:27734908

  4. Large field-induced-strain at high temperature in ternary ferroelectric crystals

    NASA Astrophysics Data System (ADS)

    Wang, Yaojin; Chen, Lijun; Yuan, Guoliang; Luo, Haosu; Li, Jiefang; Viehland, D.

    2016-10-01

    The new generation of ternary Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 ferroelectric single crystals have potential applications in high power devices due to their surperior operational stability relative to the binary system. In this work, a reversible, large electric field induced strain of over 0.9% at room temperature, and in particular over 0.6% above 380 K was obtained. The polarization rotation path and the phase transition sequence of different compositions in these ternary systems have been determined with increasing electric field applied along [001] direction based on x-ray diffraction data. Thereafter, composition dependence of field-temperature phase diagrams were constructed, which provide compositional and thermal prospectus for the electromechanical properties. It was found the structural origin of the large stain, especially at higher temperature is the lattice parameters modulated by dual independent variables in composition of these ternary solid solution crystals.

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

    NASA Astrophysics Data System (ADS)

    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.

  6. Electrical Impact of SiC Structural Crystal Defects on High Electric Field Devices (Invited)

    NASA Technical Reports Server (NTRS)

    Neudeck, Philip G.

    1999-01-01

    As illustrated by the invited paper at this conference and other works, SiC wafers and epilayers contain a variety of crystallographic imperfections, including micropipes, closed-core screw dislocations, grain boundaries, basal plane dislocations, heteropolytypic inclusions, and surfaces that are often damaged and contain atomically rough features like step bunching and growth pits or hillocks. Present understanding of the operational impact of various crystal imperfections on SiC electrical devices is reviewed, with an emphasis placed on high-field SiC power devices and circuits.

  7. Light quasiparticles dominate electronic transport in molecular crystal field-effect transistors

    SciTech Connect

    Li, Z. Q.; Podzorov, V.; Sai, N.; Martin, Michael C.; Gershenson, M. E.; Di Ventra, M.; Basov, D. N.

    2007-03-01

    We report on an infrared spectroscopy study of mobile holes in the accumulation layer of organic field-effect transistors based on rubrene single crystals. Our data indicate that both transport and infrared properties of these transistors at room temperature are governed by light quasiparticles in molecular orbital bands with the effective masses m[small star, filled]comparable to free electron mass. Furthermore, the m[small star, filled]values inferred from our experiments are in agreement with those determined from band structure calculations. These findings reveal no evidence for prominent polaronic effects, which is at variance with the common beliefs of polaron formation in molecular solids.

  8. Tunable far-field acoustic imaging by two-dimensional sonic crystal with concave incident surface

    NASA Astrophysics Data System (ADS)

    Shen, Feng-Fu; Lu, Dan-Feng; Zhu, Hong-Wei; Ji, Chang-Ying; Shi, Qing-Fan

    2017-01-01

    An additional concave incident surface comprised of two-dimensional (2D) sonic crystals (SCs) is employed to tune the acoustic image in the far-field region. The tunability is realized through changing the curvature of the concave surface. To explain the tuning mechanism, a simple ray-trace analysis is demonstrated based on the wave-beam negative refractive law. Then, a numerical confirmation is carried out. Results show that both the position and the intensity of the image can be tuned by the introduced concave surface.

  9. Linearly first- and second-order, unconditionally energy stable schemes for the phase field crystal model

    NASA Astrophysics Data System (ADS)

    Yang, Xiaofeng; Han, Daozhi

    2017-02-01

    In this paper, we develop a series of linear, unconditionally energy stable numerical schemes for solving the classical phase field crystal model. The temporal discretizations are based on the first order Euler method, the second order backward differentiation formulas (BDF2) and the second order Crank-Nicolson method, respectively. The schemes lead to linear elliptic equations to be solved at each time step, and the induced linear systems are symmetric positive definite. We prove that all three schemes are unconditionally energy stable rigorously. Various classical numerical experiments in 2D and 3D are performed to validate the accuracy and efficiency of the proposed schemes.

  10. Renormalization-group theory for the phase-field crystal equation

    NASA Astrophysics Data System (ADS)

    Athreya, Badrinarayan P.; Goldenfeld, Nigel; Dantzig, Jonathan A.

    2006-07-01

    We derive a set of rotationally covariant amplitude equations for use in multiscale simulation of the two-dimensional phase-field crystal model by a variety of renormalization-group (RG) methods. We show that the presence of a conservation law introduces an ambiguity in operator ordering in the RG procedure, which we show how to resolve. We compare our analysis with standard multiple-scale techniques, where identical results can be obtained with greater labor, by going to sixth order in perturbation theory, and by assuming the correct scaling of space and time.

  11. Free energy functionals for efficient phase field crystal modeling of structural phase transformations.

    PubMed

    Greenwood, Michael; Provatas, Nikolas; Rottler, Jörg

    2010-07-23

    The phase field crystal (PFC) method is a promising technique for modeling materials with atomic resolution on mesoscopic time scales. While numerically more efficient than classical density functional theory (CDFT), its single mode free energy limits the complexity of structural transformations that can be simulated. We introduce a new PFC model inspired by CDFT, which uses a systematic construction of two-particle correlation functions that allows for a broad class of structural transformations. Our approach considers planar spacings, lattice symmetries, planar atomic densities, and atomic vibrational amplitudes in the unit cell, and parameterizes temperature and anisotropic surface energies. The power of our approach is demonstrated by two examples of structural phase transformations.

  12. Simultaneously combined liquid crystal surface heat transfer and PIV flow-field measurements

    NASA Astrophysics Data System (ADS)

    Praisner, T. J.; Sabatino, D. R.; Smith, C. R.

    An experimental technique has been developed which combines simultaneous high-density particle image velocimetry (PIV) with a new thermochromic liquid-crystal based instantaneous convective heat transfer sensing system. The new heat transfer sensing system employs liquid crystals applied to the non-flow side of a constant heat flux foil, and isolated from the support plate by a thin insulating cavity. The resulting composite sensing sheet is capable of a 66Hz frequency response and, when utilized in a water flow, it can track instantaneous variations in convective heat transfer for turbulent flows. Placement of the liquid crystals on the non-flow side of the constant heat flux foil also provides optical separation from the flow field, allowing the simultaneous application of high image-density PIV measurements. A description of the experimental apparatus is provided along with a validation and uncertainty analysis of the combined technique. Selected quasi-three-dimensional constructs obtained using this new technique are presented for a variety of turbulent flow configurations.

  13. Direct mapping of local director field of nematic liquid crystals at the nano-scale

    NASA Astrophysics Data System (ADS)

    Xia, Yu; Serra, Francesca; Yang, Shu; Kamien, Randall

    2015-03-01

    The director field in liquid crystals (LCs) has been characterized mainly via polarized optical microscopy, fluorescence confocal microscopy, and Raman spectroscopy, all of which are limited by optical wavelengths - from hundreds of nanometers to several micrometers. Since LC orientation cannot be resolved directly by these methods, theory is needed to interpret the local director field of LC alignment. In this work, we introduce a new approach to directly visualize the local director field of a nematic LC (NLC) at the nano-scale using scanning electron microscopy (SEM). A new type of NLC monomer bearing crosslinkable groups was designed and synthesized. It can be well-oriented at particle surfaces and patterned polymer substrates, including micron-sized silica colloids, porous membranes, micropillar arrays, and 1D channels. After carefully crosslinking, the molecular orientation of NLCs around the particles or within the patterns could be directly visualized by SEM, showing oriented nanofibers representing LC director from the fractured samples. Here, we could precisely resolve not only the local director field by this approach, but the defect structures of NLCs, including hedgehogs and line defects. The direct mapping of LC directors at the nanoscale using this method will improve our understanding of NLC local director field, and thus their manipulation and applications. More importantly, a theoretical interpretation will no longer be a necessity to resolve a new material system in this field.

  14. Electronic structure of ytterbium-implanted GaN at ambient and high pressure: experimental and crystal field studies.

    PubMed

    Kaminska, A; Ma, C-G; Brik, M G; Kozanecki, A; Boćkowski, M; Alves, E; Suchocki, A

    2012-03-07

    The results of high-pressure low-temperature optical measurements in a diamond-anvil cell of bulk gallium nitride crystals implanted with ytterbium are reported in combination with crystal field calculations of the Yb(3+) energy levels. Crystal field analysis of splitting of the (2)F(7/2) and (2)F(5/2) states has been performed, with the aim of assigning all features of the experimental luminescence spectra. A thorough analysis of the pressure behavior of the Yb(3+) luminescence lines in GaN allowed the determination of the ambient-pressure positions and pressure dependence of the Yb(3+) energy levels in the trigonal crystal field as well as the pressure-induced changes of the spin-orbit coupling coefficient.

  15. Study of photonic crystal structures and their application in the field of antennas

    NASA Astrophysics Data System (ADS)

    Gonzalo Garcia, Ramon

    2000-08-01

    "Photonic Crystals" defined as periodic structures in one, two or three dimensions, prevent the propagation of an incident electromagnetic wave inside them, over a determined frequency range (bandgap) and for any propagation direction. One of the main problems in the antenna field is the power transferred to the surface wave modes. This energy does not contribute to the main radiation of the antenna, considering this effect as a loss mechanism. Besides, this energy, depending on the dielectric constant of the substrate and its thickness, could be more than 70% of the total power. Even sometimes, this energy will be added in counter-phase to the main radiation pattern of the antenna making worse this pattern. The main idea is to use the "Photonic Crystal" structures as substrates for these antenna configurations leading to an increasing of the antenna efficiency and directivity, a more symmetric radiation pattern and a reduction of the back radiation. The thesis can be divided into two parts: (1) Firstly, the Maxwell's equations for dielectric periodic structures are presented in Chapter 2. An eigensystem has been formulated to solve for the eigenvalues and eigenmodes of any "Photonic Crystal" providing the information to determine a full or a partial bandgap. The gap behaviour of different structures as function of the geometry, dielectric constant contrast or fill factor of the unit cell has been analysed in Chapter 3. Besides, a new three-dimensional structure has been proposed. (2) Chapter 4 and 5 focus on using "Photonic Crystal" to avoid propagation of surface waves in microstrip patch antenna configurations, replacing conventional substrates for "Photonic Crystal" structures. A comparison between the conventional substrate features versus the "Photonic Crystal" is presented. The analysis reveals a decrease in coupled power to substrate modes and an improvement of efficiency, directivity, back radiation, pattern symmetry and mutual coupling. In Chapter 5 the

  16. The interface morphology of a spherical crystal in the undercooled melt affected by a far-field uniform flow

    NASA Astrophysics Data System (ADS)

    Chen, M. W.; Wang, Y. L.; Zhang, H.; Wu, L. Y.; Wang, Z. D.

    2011-05-01

    The effect of the convective flow caused by the far-field uniform flow on the interface morphology of a spherical crystal is studied by using the matched asymptotic expansion method. For the case that the far-field uniform flow is far less than the characteristic velocity of the interface, we obtain the uniformly valid asymptotic solution of the spherical crystal in the entire melt region. The analytical results show that the far-field uniform flow has significant effect on the interface morphology of the spherical crystal. The convection flow makes the interface of the growing spherical crystal enhance growth velocity in the upstream direction of the far-field uniform flow, inhibit growth in the downstream direction and decrease growth velocity on the two sides of the spherical crystal. The drag effect of the far-field uniform flow makes the interface morphology of the spherical crystal evolve into a pearlike oval shape. Our analytical result is consistent with the experimental and simulation results.

  17. Effects of Polymers on the Rotational Viscosities of Nematic Liquid Crystals and Dynamics of Field Alignment.

    NASA Astrophysics Data System (ADS)

    Kim, Du-Rim

    Many of the important physical phenomena exhibited by the nematic phase, such as its unusual flow properties and its responses to the electric and the magnetic fields, can be discussed regarding it as a continuous medium. The Leslie-Erickson dynamic theory has the six dissipative coefficients from continuum model of liquid crystal. Parodi showed that only five of them are independent, when Onsagar's reciprocal relations are used. One of these, which has no counterpart in the isotropic liquids, is the rotational viscosity coefficient, gamma_1. The main objective of this project is to study the rotational viscosities of selected micellar nematic systems and the effect of dissolved polymers in micellar and thermotropic liquid crystals. We used rotating magnetic field method which allows one to determine gamma _1 and the anisotropic magnetic susceptibility, chi_{a}. For the ionic surfactant liquid crystals of SDS and KL systems used in this study, the rotational viscosity exhibited an extraordinary drop after reaching the highest value gamma_1 as the temperature was lowered. This behavior is not observed in normal liquid crystals. But this phenomena can be attributed to the existence of nematic biaxial phase below the rod-like nematic N_{c} phase. The pretransitional increase in gamma _1 near the disk-like nematic to smectic -A phase transition of the pure CsPFO H_2O systems are better understood with the help of mean-field models of W. L. McMillan. He predicted a critical exponent nu = -{1over 2} for the divergence of gamma_1. The polymer (PEO, molecular weight = 10 ^5) dissolved in CsPFO H_2O system (which has 0.6% critical polymer concentration), suppressed the nematic to lamellar smectic phase transition in concentrated polymer solutions (0.75% and higher). In dilute polymer solutions with lower than 0.3% polyethylene-oxide, a linear increase of gamma_1 is observed, which agrees with Brochard theory. The polymer solutions in thermotropic liquid crystal solvents

  18. Effects of polymers on the rotational viscosities of nematic liquid crystals and dynamics of field alignment

    SciTech Connect

    Kim, D.

    1993-12-31

    Many of the important physical phenomena exhibited by the nematic phase, such as its unusual flow properties and its responses to the electric and the magnetic fields, can be discussed regarding it as a continous medium. The Leslie-Erickson dynamic theory has the six dissipative coefficients from continuum model of liquid crystal. Parodi showed that only five of them are independent, when Onsagar`s reciprocal relations are used. One of these, which has no counterpart in the isotropic liquids, is the rotational viscosity co-efficient, {gamma}{sub 1}. The main objective of this project is to study the rotational viscosities of selected micellar nematic systems and the effect of dissolved polymers in micellar and thermotropic liqud crystals. We used rotating magnetic field method which allows one to determine {gamma}{sub 1} and the anisotropic magnetic susceptibility, {chi}{sub a}. For the ionic surfactant liquid crystals of SDS and KL systems used in this study, the rotational viscosity exhibited an extraordinary drop after reaching the highest values {gamma}{sub 1} as the temperature was lowered. This behavior is not observed in normal liquid crystals. But this phenomena can be attributed to the existence of nematic biaxial phase below the rod-like nematic N{sub c} phase. The pretransitional increase in {gamma}{sub 1} near the disk-like nematic to smectic-A phase transition of the pure CsPFO/H{sub 2}O systems are better understood with the help of mean-field models of W.L. McMillan. He predicted a critical exponent {nu} = {1/2} for the divergence of {gamma}{sub 1}. The polymer (PEO, molecular weight = 10{sup 5}) dissolved in CsPFO/H{sub 2}O system (which has 0.6% critical polymer concentration), suppressed the nematic to lamellar smectic phase transition in concentrated polymer solutions (0.75% and higher). In dilute polymer solutions with lower than 0.3% polyethylene-oxide, a linear increase of {gamma}{sub 1} is observed, which agrees with Brochard theory.

  19. Interdigitated pixel electrodes with alternating tilts for fast fringe-field switching of liquid crystals.

    PubMed

    Choi, Tae-Hoon; Woo, Jae-Hyeon; Choi, Yeongyu; Yoon, Tae-Hoon

    2016-11-28

    We propose an interdigitated pixel electrode structure with alternating tilts for fast fringe-field switching of liquid crystals (LCs). In contrast to an LC cell, where the pixel electrodes are parallel to the LC alignment direction, this device does not require a non-zero pretilt angle, owing to an obliquely applied electric field; thus, it can retain a much wider viewing angle by aligning the LCs without a pretilt. In addition to a short response time and wide viewing angle, the proposed device allows a much larger deviation of the LC alignment direction, which is essential for mass production. Moreover, LCs with negative dielectric anisotropy can be used to minimize the transmittance decrease.

  20. Two beam energy exchange in hybrid liquid crystal cells with photorefractive field controlled boundary conditions

    NASA Astrophysics Data System (ADS)

    Reshetnyak, V. Yu.; Pinkevych, I. P.; Subota, S. I.; Evans, D. R.

    2016-09-01

    We develop a theory describing energy gain when two light beams intersect in a hybrid nematic liquid crystal (LC) cell with photorefractive crystalline substrates. A periodic space-charge field induced by interfering light beams in the photorefractive substrates penetrates into the LC layer and reorients the director. We account for two main mechanisms of the LC director reorientation: the interaction of the photorefractive field with the LC flexopolarization and the director easy axis at the cell boundaries. It is shown that the resulting director grating is a sum of two in-phase gratings: the flexoelectric effect driven grating and the boundary-driven grating. Each light beam diffracts from the induced gratings leading to an energy exchange between beams. We evaluate the signal beam gain coefficient and analyze its dependence on the director anchoring energy and the magnitude of the director easy axis modulation.

  1. Bicritical universality of the anisotropic Heisenberg model in a crystal field.

    PubMed

    Freire, R T S; Plascak, J A

    2015-03-01

    The bicritical properties of the three-dimensional classical anisotropic Heisenberg model in a crystal field are investigated through extensive Monte Carlo simulations on a simple cubic lattice, using Metropolis and Wolff algorithms. Field-mixing and multidimensional histogram techniques were employed in order to compute the probability distribution function of the extensive conjugate variables of interest and, using finite-size scaling analysis, the first-order transition line of the model was precisely located. The fourth-order cumulant of the order parameter was then calculated along this line and the bicritical point located with good precision from the cumulant crossings. The bicritical properties of this point were further investigated through the measurement of the universal probability distribution function of the order parameter. The results lead us to conclude that the studied bicritical point belongs in fact to the three-dimensional Heisenberg universality class.

  2. Long-wavelength properties of phase-field-crystal models with second-order dynamics.

    PubMed

    Heinonen, V; Achim, C V; Ala-Nissila, T

    2016-05-01

    The phase-field-crystal (PFC) approach extends the notion of phase-field models by describing the topology of the microscopic structure of a crystalline material. One of the consequences is that local variation of the interatomic distance creates an elastic excitation. The dynamics of these excitations poses a challenge: pure diffusive dynamics cannot describe relaxation of elastic stresses that happen through phonon emission. To this end, several different models with fast dynamics have been proposed. In this article we use the amplitude expansion of the PFC model to compare the recently proposed hydrodynamic PFC amplitude model with two simpler models with fast dynamics. We compare these different models analytically and numerically. The results suggest that in order to have proper relaxation of elastic excitations, the full hydrodynamical description of the PFC amplitudes is required.

  3. Long-wavelength properties of phase-field-crystal models with second-order dynamics

    NASA Astrophysics Data System (ADS)

    Heinonen, V.; Achim, C. V.; Ala-Nissila, T.

    2016-05-01

    The phase-field-crystal (PFC) approach extends the notion of phase-field models by describing the topology of the microscopic structure of a crystalline material. One of the consequences is that local variation of the interatomic distance creates an elastic excitation. The dynamics of these excitations poses a challenge: pure diffusive dynamics cannot describe relaxation of elastic stresses that happen through phonon emission. To this end, several different models with fast dynamics have been proposed. In this article we use the amplitude expansion of the PFC model to compare the recently proposed hydrodynamic PFC amplitude model with two simpler models with fast dynamics. We compare these different models analytically and numerically. The results suggest that in order to have proper relaxation of elastic excitations, the full hydrodynamical description of the PFC amplitudes is required.

  4. Nanoscale mechanical actuation and near-field read-out of photonic crystal molecules

    NASA Astrophysics Data System (ADS)

    Petruzzella, M.; La China, F.; Intonti, F.; Caselli, N.; De Pas, M.; van Otten, F. W. M.; Gurioli, M.; Fiore, A.

    2016-09-01

    We employed the contact forces induced by a near-field tip to tune and probe the optical resonances of a mechanically compliant photonic crystal molecule. Here, the pressure induced by the near-field tip is exploited to control the spectral proprieties of the coupled cavities in an ultrawide spectral range, demonstrating a reversible mode shift of 37.5 nm . Besides, by monitoring the coupling strength variation due to the vertical nanodeformation of the dielectric structure, distinct tip-sample interaction regimes have been unambiguously reconstructed with a nano-Newton sensitivity. These results demonstrate an optical method for mapping mechanical forces at the nanoscale with a lateral spatial resolution below 100 nm.

  5. Magnetic properties and crystal field in Pr2Zr2O7

    NASA Astrophysics Data System (ADS)

    Bonville, P.; Guitteny, S.; Gukasov, A.; Mirebeau, I.; Petit, S.; Decorse, C.; Hatnean, M. Ciomaga; Balakrishnan, G.

    2016-10-01

    In this work, we revisit the crystal field acting on the non-Kramers Pr3 + ion (4 f2 ) in the quantum spin-ice candidate Pr2Zr2O7 using both a standard calculation restricted to the ground spin-orbit multiplet and intermediate coupling states in the full basis of the f2 configuration. Analysis of the thermal variation of the polycrystal magnetic susceptibility and of the local susceptibilities χ⊥ and χ∥ determined by means of polarized neutron diffraction experiments reveals that the effective antiferromagnetic exchange is strongly depleted at low temperature with respect to its high-temperature value. We then discuss the influence of crystal field imperfections arising from residual strains, which are especially important for a non-Kramers ion. We find that they are an essential ingredient to account for the very low temperature M (H ) magnetization curves, showing that the saturation is not achieved even at 8 T. Furthermore, as possible candidates to qualitatively understand the Curie-like behavior observed below 0.5 K, we discuss the influence of the magnetic hyperfine interaction.

  6. Modified phase-field-crystal model for solid-liquid phase transitions

    NASA Astrophysics Data System (ADS)

    Guo, Can; Wang, Jincheng; Wang, Zhijun; Li, Junjie; Guo, Yaolin; Tang, Sai

    2015-07-01

    A modified phase-field-crystal (PFC) model is proposed to describe solid-liquid phase transitions by reconstructing the correlation function. The effects of fitting parameters of our modified PFC model on the bcc-liquid phase diagram, numerical stability, and solid-liquid interface properties during planar interface growth are examined carefully. The results indicate that the increase of the correlation function peak width at k =km will enhance the stability of the ordered phase, while the increase of peak height at k =0 will narrow the two-phase coexistence region. The third-order term in the free-energy function and the short wave-length of the correlation function have significant influences on the numerical stability of the PFC model. During planar interface growth, the increase of peak width at k =km will decrease the interface width and the velocity coefficient C , but increase the anisotropy of C and the interface free energy. Finally, the feasibility of the modified phase-field-crystal model is demonstrated with a numerical example of three-dimensional dendritic growth of a body-centered-cubic structure.

  7. Rubrene crystal field-effect mobility modulation via conducting channel wrinkling

    PubMed Central

    Reyes-Martinez, Marcos A.; Crosby, Alfred J.; Briseno, Alejandro L.

    2015-01-01

    With the impending surge of flexible organic electronic technologies, it has become essential to understand how mechanical deformation affects the electrical performance of organic thin-film devices. Organic single crystals are ideal for the systematic study of strain effects on electrical properties without being concerned about grain boundaries and other defects. Here we investigate how the deformation affects the field-effect mobility of single crystals of the benchmark semiconductor rubrene. The wrinkling instability is used to apply local strains of different magnitudes along the conducting channel in field-effect transistors. We discover that the mobility changes as dictated by the net strain at the dielectric/semiconductor interface. We propose a model based on the plate bending theory to quantify the net strain in wrinkled transistors and predict the change in mobility. These contributions represent a significant step forward in structure–function relationships in organic semiconductors, critical for the development of the next generation of flexible electronic devices. PMID:25939864

  8. Modified phase-field-crystal model for solid-liquid phase transitions.

    PubMed

    Guo, Can; Wang, Jincheng; Wang, Zhijun; Li, Junjie; Guo, Yaolin; Tang, Sai

    2015-07-01

    A modified phase-field-crystal (PFC) model is proposed to describe solid-liquid phase transitions by reconstructing the correlation function. The effects of fitting parameters of our modified PFC model on the bcc-liquid phase diagram, numerical stability, and solid-liquid interface properties during planar interface growth are examined carefully. The results indicate that the increase of the correlation function peak width at k=k(m) will enhance the stability of the ordered phase, while the increase of peak height at k=0 will narrow the two-phase coexistence region. The third-order term in the free-energy function and the short wave-length of the correlation function have significant influences on the numerical stability of the PFC model. During planar interface growth, the increase of peak width at k=k(m) will decrease the interface width and the velocity coefficient C, but increase the anisotropy of C and the interface free energy. Finally, the feasibility of the modified phase-field-crystal model is demonstrated with a numerical example of three-dimensional dendritic growth of a body-centered-cubic structure.

  9. Large piezoelectricity in electric-field modified single crystals of SrTiO3

    NASA Astrophysics Data System (ADS)

    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.

  10. Effects of in-plane electric fields on the optical properties of cholesteric liquid crystals

    NASA Astrophysics Data System (ADS)

    Rumi, Mariacristina; Tondiglia, Vincent P.; Natarajan, Lalgudi V.; White, Timothy J.; Bunning, Timothy J.

    2013-09-01

    A considerable body of knowledge has been developed on the general behavior of cholesteric liquid crystal (CLC) materials in electric fields. One approach that has been reported to achieve tunability in optical filters based on CLCs with a positive dielectric anisotropy and in the planar homogeneous state involves the application of electric fields perpendicular to the axis of the CLC helix. The field leads to a progressive unwinding of the helix and a corresponding red-shift in the position of the reflection band of the CLC. In this work, a microspectrophotometer was employed to probe the spatial heterogeneity of the optical spectra of the CLC in cells with interdigitated electrodes. We will show that a complex behavior of the Bragg reflection band is obtained in the gap between electrodes for certain parameters of cells with interdigitated electrodes as a function of the applied field. This is ascribed to variations in the field magnitude and direction in the cell, which lead to a spatial variation of helix unwinding.

  11. Field-driven dynamics of microcapillaries filled with nematic liquid crystal

    NASA Astrophysics Data System (ADS)

    Fu, Fred; Khayyatzadeh, Pouya; Abukhdeir, Nasser M.

    Polymer-dispersed liquid crystal (PDLC) composites have long been a focus of study for their unique electro-optical properties and the feasibility of manufacturing them on a large scale, resulting in applications such as switchable windows. LC domains within PDLCs are typically spheroidal, as opposed to rectangular in LCD technology, and thus exhibit substantially different behaviour in the presence of an external field. In this work, continuum simulations were performed in order to capture the complex formation and electric field-driven switching dynamics of approximations of PDLC domains. A simplified elliptic cylinder (microcapillary) geometry is used and the effects of varying aspect ratio, surface anchoring, and external field strength were studied using the Landau-de Gennes model. The observed nematic formation and reorientation dynamics were found to be governed by the presence and motion of defects within the domain. Aspect ratio was found to strongly influence domain texture by providing regions of high curvature to which defects are attracted. Simulations also predict the presence of a geometry-controlled transition from nematic order enhanced by an external field (low aspect ratio) to nematic order frustrated by an external field (high aspect ratio). This work was made possible by the Natural Sciences and Engineering Research Council of Canada and Compute Ontario.

  12. A three-dimensional phase field model coupled with lattice kinetics solver for modeling crystal growth in furnaces with accelerated crucible rotation and traveling magnetic field

    SciTech Connect

    Lin, Guang; Bao, Jie; Xu, Zhijie

    2014-11-01

    In this study, which builds on other related work, we present a new three-dimensional numerical model for crystal growth in a vertical solidification system. This model accounts for buoyancy, accelerated crucible rotation technique (ACRT), and traveling magnetic field (TMF) induced convective flow and their effect on crystal growth and the chemical component's transport process. The evolution of the crystal growth interface is simulated using the phase field method. A semi-implicit lattice kinetics solver based on the Boltzmann equation is employed to model the unsteady incompressible flow. A one-way coupled concentration transport model is used to simulate the component fraction variation in both the liquid and solid phases, which can be used to check the quality of the crystal growth.

  13. A Photonic Crystal Magnetic Field Sensor Using a Shoulder-Coupled Resonant Cavity Infiltrated with Magnetic Fluid

    PubMed Central

    Su, Delong; Pu, Shengli; Mao, Lianmin; Wang, Zhaofang; Qian, Kai

    2016-01-01

    A kind of photonic crystal magnetic field sensor is proposed and investigated numerically. The shoulder-coupled resonant cavity is introduced in the photonic crystal, which is infiltrated with magnetic fluid. Through monitoring the shift of resonant wavelength, the magnetic field sensing is realized. According to the designed infiltration schemes, both the magnetic field sensitivity and full width at half maximum increase with the number of infiltrated air holes. The figure of merit of the structure is defined to evaluate the sensing performance comprehensively. The best structure corresponding to the optimal infiltration scheme with eight air holes infiltrated with magnetic fluid is obtained. PMID:27999254

  14. A Photonic Crystal Magnetic Field Sensor Using a Shoulder-Coupled Resonant Cavity Infiltrated with Magnetic Fluid.

    PubMed

    Su, Delong; Pu, Shengli; Mao, Lianmin; Wang, Zhaofang; Qian, Kai

    2016-12-16

    A kind of photonic crystal magnetic field sensor is proposed and investigated numerically. The shoulder-coupled resonant cavity is introduced in the photonic crystal, which is infiltrated with magnetic fluid. Through monitoring the shift of resonant wavelength, the magnetic field sensing is realized. According to the designed infiltration schemes, both the magnetic field sensitivity and full width at half maximum increase with the number of infiltrated air holes. The figure of merit of the structure is defined to evaluate the sensing performance comprehensively. The best structure corresponding to the optimal infiltration scheme with eight air holes infiltrated with magnetic fluid is obtained.

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

    SciTech Connect

    Thakur, Harneet V.; Nalawade, Sandipan M.; Gupta, Swati; Kitture, Rohini; Kale, S. N.

    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.

  16. Tunable Lamb wave band gaps in two-dimensional magnetoelastic phononic crystal slabs by an applied external magnetostatic field.

    PubMed

    Zhou, Changjiang; Sai, Yi; Chen, Jiujiu

    2016-09-01

    This paper theoretically investigates the band gaps of Lamb mode waves in two-dimensional magnetoelastic phononic crystal slabs by an applied external magnetostatic field. With the assumption of uniformly oriented magnetization, an equivalent piezomagnetic material model is used. The effects of magnetostatic field on phononic crystals are considered carefully in this model. The numerical results indicate that the width of the first band gap is significantly changed by applying the external magnetic field with different amplitude, and the ratio between the maximum and minimum gap widths reaches 228%. Further calculations demonstrate that the orientation of the magnetic field obviously affects the width and location of the first band gap. The contactless tunability of the proposed phononic crystal slabs shows many potential applications of vibration isolation in engineering.

  17. Investigation of the linear and second-order nonlinear optical properties of molecular crystals within the local field theory.

    PubMed

    Seidler, Tomasz; Stadnicka, Katarzyna; Champagne, Benoît

    2013-09-21

    In this paper it is shown that modest calculations combining first principles evaluations of the molecular properties with electrostatic interaction schemes to account for the crystal environment effects are reliable for predicting and interpreting the experimentally measured electric linear and second-order nonlinear optical susceptibilities of molecular crystals within the experimental error bars. This is illustrated by considering two molecular crystals, namely: 2-methyl-4-nitroaniline and 4-(N,N-dimethylamino)-3-acetamidonitrobenzene. Three types of surrounding effects should be accounted for (i) the polarization due to the surrounding molecules, described here by static electric fields originating from their electric dipoles or charge distributions, (ii) the intermolecular interactions, which affect the geometry and particularly the molecular conformation, and (iii) the screening of the external electric field by the constitutive molecules. This study further highlights the role of electron correlation on the linear and nonlinear responses of molecular crystals and the challenge of describing frequency dispersion.

  18. Ferroelectric Single-Crystal Gated Graphene/Hexagonal-BN/Ferroelectric Field-Effect Transistor.

    PubMed

    Park, Nahee; Kang, Haeyong; Park, Jeongmin; Lee, Yourack; Yun, Yoojoo; Lee, Jeong-Ho; Lee, Sang-Goo; Lee, Young Hee; Suh, Dongseok

    2015-11-24

    The effect of a ferroelectric polarization field on the charge transport in a two-dimensional (2D) material was examined using a graphene monolayer on a hexagonal boron nitride (hBN) field-effect transistor (FET) fabricated using a ferroelectric single-crystal substrate, (1-x)[Pb(Mg1/3Nb2/3)O3]-x[PbTiO3] (PMN-PT). In this configuration, the intrinsic properties of graphene were preserved with the use of an hBN flake, and the influence of the polarization field from PMN-PT could be distinguished. During a wide-range gate-voltage (VG) sweep, a sharp inversion of the spontaneous polarization affected the graphene channel conductance asymmetrically as well as an antihysteretic behavior. Additionally, a transition from antihysteresis to normal ferroelectric hysteresis occurred, depending on the V(G) sweep range relative to the ferroelectric coercive field. We developed a model to interpret the complex coupling among antihysteresis, current saturation, and sudden conductance variation in relation with the ferroelectric switching and the polarization-assisted charge trapping, which can be generalized to explain the combination of 2D structured materials with ferroelectrics.

  19. Terahertz probes of magnetic field induced spin reorientation in YFeO{sub 3} single crystal

    SciTech Connect

    Lin, Xian; Jiang, Junjie; Ma, Guohong; Jin, Zuanming; Wang, Dongyang; Tian, Zhen; Han, Jiaguang; Cheng, Zhenxiang

    2015-03-02

    Using the terahertz time-domain spectroscopy, we demonstrate the spin reorientation of a canted antiferromagnetic YFeO{sub 3} single crystal, by evaluating the temperature and magnetic field dependence of resonant frequency and amplitude for the quasi-ferromagnetic (FM) and quasi-antiferromagnetic modes (AFM), a deeper insight into the dynamics of spin reorientation in rare-earth orthoferrites is established. Due to the absence of 4f-electrons in Y ion, the spin reorientation of Fe sublattices can only be induced by the applied magnetic field, rather than temperature. In agreement with the theoretical predication, the frequency of FM mode decreases with magnetic field. In addition, an obvious step of spin reorientation phase transition occurs with a relatively large applied magnetic field of 4 T. By comparison with the family members of RFeO{sub 3} (R = Y{sup 3+} or rare-earth ions), our results suggest that the chosen of R would tailor the dynamical rotation properties of Fe ions, leading to the designable spin switching in the orthoferrite antiferromagnetic systems.

  20. In Field Detection of Biologicals in Human Blood Serum, Saliva and Urine Using Pan Coated Quartz Crystals

    DTIC Science & Technology

    1996-10-01

    removed and stored at 40 C for use in assays. 11 inhibit these proteins. Other enzymes, such as a - amylase , are also found in abundance in saliva . This...Detection of Biologicals in Human Blood Serum, Saliva and Urine Using Pan Coated Quartz Crystals PRINCIPAL INVESTIGATOR: Robert Carter CONTRACTING...TITLE AND SUBTITLE In Field Detection of Biologicals in 5. FUNDING NUMBERS Human Blood Serum, Saliva and Urine Using Pan Coated Quartz Crystals

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

    PubMed Central

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

    2016-01-01

    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. PMID:27356625

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

    NASA Astrophysics Data System (ADS)

    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.

  3. Controlling electromagnetic fields using periodic structures: Gratings, metamaterials, and photonic crystals

    NASA Astrophysics Data System (ADS)

    Memarian, Mohammad

    This thesis presents novel devices and techniques that enable new methods for enhancement, concentration, refraction, shaping, collimation, and directive beaming of electromagnetic fields. These unprecedented methods to control electromagnetic fields are achieved by exploring and harnessing the unique wave-interactions in periodic gratings, metamaterials, and photonic crystals, with emphasis on Epsilon-Near-Zero (ENZ) metamaterials and zero-index media. The presented solutions impact a wide variety of applications ranging from microwave to optical frequencies. A discovery of dramatic radiation enhancement of an invisible array of sources next to a sub-wavelength periodic metal strip grating is reported, both theoretically and experimentally. The phenomenon is first systematically theorized by introducing the 'spectral impulse response' approach for the aperiodic excitation problem, followed by the 'spectral array factor' approach for designing the near-field of array of sources. Such radiation enhancement has applications in sensing, detection, and accurate measurement of distance. The shaping and collimation of radiation of a simple dipole source near or buried inside a general anisotropic ENZ half-space is then systematically studied using the Lorentz reciprocity method. Various elliptic and hyperbolic anisotropic ENZ media are considered, showing how the air-side radiation can be enhanced and shaped using certain ENZs. A novel device and technique is proposed for collecting, refracting and concentrating incident waves into an area of high power concentration, at extremely short distances. This flat low-profile light-concentrator comprises a hetero-junction of anisotropic ENZ metamaterials (hyperbolic or elliptic), and is realized with plasmonic layered media at optical frequencies. By harnessing an extremely oblique refraction process in ENZs, the light-concentrator significantly outperforms the size requirements of existing thick high curvature lenses, useful

  4. Temperature and field induced strain measurements in single crystal Gd5Si2Ge2

    DOE PAGES

    McCall, S. K.; Nersessian, N.; Carman, G. P.; ...

    2016-03-29

    The first-order magneto-structural transformation that occurs in Gd5Si2Ge2 near room temperature makes it a strong candidate for many energy harvesting applications. Understanding the single crystal properties is crucial for allowing simulations of device performance. In this study, magnetically and thermally induced transformation strains were measured in a single crystal of Gd5Si2.05Ge1.95 as it transforms from a high-temperature monoclinic paramagnet to a lower-temperature orthorhombic ferromagnet. Thermally induced transformation strains of –8500 ppm, +960 ppm and +1800 ppm, and magnetically induced transformation strains of –8500 ppm, +900 ppm and +2300 ppm were measured along the a, b and c axes, respectively. Furthermore,more » using experimental data coupled with general thermodynamic considerations, a universal phase diagram was constructed showing the transition from the monoclinic to the orthorhombic phase as a function of temperature and magnetic field.« less

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

    SciTech Connect

    Mohamed, Mamdouh S.; Larson, Bennett C.; Tischler, Jonathan Z.; El-Azab, Anter

    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 Kr ner 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.

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

    DOE PAGES

    Mohamed, Mamdouh S.; Larson, Bennett C.; Tischler, Jonathan Z.; ...

    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 theoreticalmore » analysis. The statistical properties of the deformation simulations are analyzed through determinations of the Nye and Kr ner 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.« less

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

    NASA Astrophysics Data System (ADS)

    Mohamed, Mamdouh S.; Larson, Bennett C.; Tischler, Jonathan Z.; El-Azab, Anter

    2015-09-01

    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.

  8. Phase field crystal modeling as a unified atomistic approach to defect dynamics

    NASA Astrophysics Data System (ADS)

    Berry, Joel; Provatas, Nikolas; Rottler, Jörg; Sinclair, Chad W.

    2014-06-01

    Material properties controlled by evolving defect structures, such as mechanical response, often involve processes spanning many length and time scales which can not be modeled using a single approach. We present a variety of results that demonstrate the ability of phase field crystal (PFC) models to describe complex defect evolution phenomena on atomistic length scales and over long, diffusive time scales. Primary emphasis is given to the unification of conservative and nonconservative dislocation creation mechanisms in three-dimensional fcc and bcc materials. These include Frank-Read-type glide mechanisms involving closed dislocation loops or grain boundaries as well as Bardeen-Herring-type climb mechanisms involving precipitates, inclusions, and/or voids. Both source classes are naturally and simultaneously captured at the atomistic level by PFC descriptions, with arbitrarily complex defect configurations, types, and environments. An unexpected dipole-to-quadrupole source transformation is identified, as well as various complex geometrical features of loop nucleation via climb from spherical particles. Results for the strain required to nucleate a dislocation loop from such a particle are in agreement with analytic continuum theories. Other basic features of fcc and bcc dislocation structure and dynamics are also outlined, and initial results for dislocation-stacking fault tetrahedron interactions are presented. These findings together highlight various capabilities of the PFC approach as a coarse-grained atomistic tool for the study of three-dimensional crystal plasticity.

  9. Field induced phase transitions and energy harvesting performance of (Pb,La)(Zr,Sn,Ti)O3 single crystal

    NASA Astrophysics Data System (ADS)

    Zhuo, Fangping; Li, Qiang; Li, Yuanyuan; Gao, Jinghan; Yan, Qingfeng; Zhang, Yiling; Xi, Xiaoqing; Chu, Xiangcheng; Cao, Wenwu

    2017-02-01

    (Pb,La)(Zr,Sn,Ti)O3 (PLZST) single crystals with composition close to the morphotropic phase boundary had been grown by the flux method. The antiferroelectric-ferroelectric phase switching electric field was 0.8 kV/mm. Temperature-dependent dielectric and polarization versus electric field hysteresis loops revealed that the electric field induced ferroelectric phase could transform back into the antiferroelectric phase at depolarization temperature (145 °C). An enhanced pyroelectric coefficient value of 1.46 μC/cm2/K was obtained at 145 °C, which is several times larger than that of conventional pyroelectric materials. Furthermore, multiple peak pyroelectric responses and an enhanced harvested energy density value of 0.4 J/cm3 were achieved in the PLZST crystal. The enhanced harvested energy density and multiple peak pyroelectric responses make the PLZST crystal a promising candidate for high sensitive temperature sensors and energy conversion technologies.

  10. First and second order numerical methods based on a new convex splitting for phase-field crystal equation

    NASA Astrophysics Data System (ADS)

    Shin, Jaemin; Lee, Hyun Geun; Lee, June-Yub

    2016-12-01

    The phase-field crystal equation derived from the Swift-Hohenberg energy functional is a sixth order nonlinear equation. We propose numerical methods based on a new convex splitting for the phase-field crystal equation. The first order convex splitting method based on the proposed splitting is unconditionally gradient stable, which means that the discrete energy is non-increasing for any time step. The second order scheme is unconditionally weakly energy stable, which means that the discrete energy is bounded by its initial value for any time step. We prove mass conservation, unique solvability, energy stability, and the order of truncation error for the proposed methods. Numerical experiments are presented to show the accuracy and stability of the proposed splitting methods compared to the existing other splitting methods. Numerical tests indicate that the proposed convex splitting is a good choice for numerical methods of the phase-field crystal equation.

  11. Large field enhancement obtained by combining Fabry–Perot resonance and Rayleigh anomaly in photonic crystal slabs

    NASA Astrophysics Data System (ADS)

    Dossou, Kokou B.

    2017-04-01

    By applying the properties of Fabry–Perot resonance and Rayleigh anomaly, we have shown that a photonic crystal slab can scatter the light from an incident plane wave into a diffracted light with a very large reflection or transmission coefficient. The enhanced field is either a propagating diffracted wave (with a grazing angle of diffraction) or a weakly evanescent diffracted wave, so it can be particularly useful for applications requiring an enhanced propagating field (or an enhanced field with a low attenuation). An efficient effective medium technique is developed for the design of the resonant photonic crystal slabs. Numerical simulations have shown that photonic crystal slabs with low index contrast, such as the ones found in the cell wall of diatoms, can enhance the intensity of the incident light by four orders of magnitude.

  12. First and second order operator splitting methods for the phase field crystal equation

    SciTech Connect

    Lee, Hyun Geun; Shin, Jaemin; Lee, June-Yub

    2015-10-15

    In this paper, we present operator splitting methods for solving the phase field crystal equation which is a model for the microstructural evolution of two-phase systems on atomic length and diffusive time scales. A core idea of the methods is to decompose the original equation into linear and nonlinear subequations, in which the linear subequation has a closed-form solution in the Fourier space. We apply a nonlinear Newton-type iterative method to solve the nonlinear subequation at the implicit time level and thus a considerably large time step can be used. By combining these subequations, we achieve the first- and second-order accuracy in time. We present numerical experiments to show the accuracy and efficiency of the proposed methods.

  13. Motion of a colloidal particle in a nonuniform director field of a nematic liquid crystal

    NASA Astrophysics Data System (ADS)

    Lee, Beom-Kyu; Kim, Sung-Jo; Lev, Bohdan; Kim, Jong-Hyun

    2017-01-01

    We investigate the dynamics of a single spherical particle immersed in a nematic liquid crystal. A nonuniform director field is imposed on the substrate by a stripe alignment pattern with splay deformation. The particle of homeotropic anchoring at the surface is accompanied by hyperbolic hedgehog or Saturn-ring defects. The particle motion is dependent on the defect structure. We study the two types of motions theoretically and confirm the obtained results experimentally. The particle accompanied by a hyperbolic hedgehog defect is pulled to a deformed region to relax the elastic deformation energy. The motion occurs in the direction heading the hyperbolic hedgehog defect of a particle in a twist region. The position exhibits a weak S-shaped change as a function of time. The particle accompanied by a Saturn-ring defect shows insignificant motion due to its relatively small deformation energy.

  14. Interacting spin-wave dispersion relations of ferrimagnetic Heisenberg chains with crystal-field anisotropy

    NASA Astrophysics Data System (ADS)

    Solano-Carrillo, E.; Franco, R.; Silva-Valencia, J.

    2010-11-01

    We study the effect of crystal-field anisotropy on the dispersion relations of mixed-spin (S,s) alternating chains by using the interacting spin-wave theory and the density-matrix renormalization group algorithm. For the easy-plane anisotropy case we find that the spin-wave results fail to describe the ground-state properties of the systems under consideration, whereas for the easy-axis anisotropy regime the method demonstrates a surprising efficiency showing, for example for the system (S,s)=(3/2,1/2), a discrepancy from the density-matrix renormalization group of about 0.0006% for the ground-state energy and of 2% for the sublattice magnetizations.

  15. Extended depth of field using a liquid crystal annular spatial light modulator.

    PubMed

    Klapp, Iftach; Solodar, Asi; Abdulhalim, Ibrahim

    2014-07-01

    A detailed investigation is presented on the tunable extended depth of field (EDOF) method, proposed recently by Klapp et al. [Opt. Lett.39, 1414 (2014)]. This method is based on temporal multiplexing of phase masks, using an annular liquid crystal spatial light modulator possessing a small number of rings. Examples of 3D simulations used to determine the phase profiles in the pupil plane are presented, as well as more detailed experimental results. Both the experimental and numerical results include comprehensive analysis of contrast dependence on both the spatial spectrum of the object and the amount of defocus. In addition, for the first time, we present the EDOF order inversion in the experimental and simulated data. The results show a profound performance of the proposed system and method.

  16. Comparison of Phase Field Crystal and Molecular Dynamics Simulations for a Shrinking Grain

    SciTech Connect

    Radhakrishnan, Balasubramaniam; Gorti, Sarma B; Nicholson, Don M

    2012-01-01

    The Phase-Field Crystal (PFC) model represents the atomic density as a continuous function, whose spatial distribution evolves at diffusional, rather than vibrational time scales. PFC provides a tool to study defect interactions at the atomistic level but over longer time scales than in molecular dynamics (MD). We examine the behavior of the PFC model with the goal of relating the PFC parameters to physical parameters of real systems, derived from MD simulations. For this purpose we model the phenomenon of the shrinking of a spherical grain situated in a matrix. By comparing the rate of shrinking of the central grain using MD and PFC we obtain a relationship between PFC and MD time scales for processes driven by grain boundary diffusion. The morphological changes in the central grain including grain shape and grain rotation are also examined in order to assess the accuracy of the PFC in capturing the evolution path predicted by MD.

  17. Calculations of isothermal elastic constants in the phase-field crystal model

    NASA Astrophysics Data System (ADS)

    Pisutha-Arnond, N.; Chan, V. W. L.; Elder, K. R.; Thornton, K.

    2013-01-01

    The phase-field crystal (PFC) method is an emerging coarse-grained atomistic model that can be used to predict material properties. In this work, we describe procedures for calculating isothermal elastic constants using the PFC method. We find that the conventional procedures used in the PFC method for calculating the elastic constants are inconsistent with those defined from a theory of thermoelasticity of stressed materials. Therefore we present an alternative procedure for calculating the elastic constants that are consistent with the definitions from the thermoelasticity theory, and show that the two procedures result in different predictions. Furthermore, we employ a thermodynamic formulation of stressed solids to quantify the differences between the elastic constants obtained from the two procedures in terms of thermodynamic quantities such as the pressure evaluated at the undeformed state.

  18. Crystal-field levels of terbium in pyrochlore compounds R2Ti2O7

    NASA Astrophysics Data System (ADS)

    Klimin, S. A.

    2015-06-01

    Temperature-dependent infrared spectroscopic study of Tb3+ f-f transitions has been performed for pyrochlore compounds Tb2Ti2O7, (Y0.99Tb0.01)2Ti2O7, and (Gd0.9Tb0.1)2Ti2O7. The peculiarities of terbium absorption were explained taking into account the presence of inversion symmetry at the rare-earth site. The energies of crystal-field levels for the ground Tb3+ multiplet were obtained. Spectral anomaly in Tb2Ti2O7 observed in the temperature range T<20 K was assigned to a strong ion-ion interaction between rare-earth ions, which leads to collective CF excitations in the terbium subsystem.

  19. Thermal fluctuations and phase diagrams of the phase-field crystal model with pinning.

    PubMed

    Ramos, J A P; Granato, E; Achim, C V; Ying, S C; Elder, K R; Ala-Nissila, T

    2008-09-01

    We study the influence of thermal fluctuations in the phase diagram of a recently introduced two-dimensional phase field crystal model with an external pinning potential. The model provides a continuum description of pinned lattice systems allowing for both elastic deformations and topological defects. We introduce a nonconserved version of the model and determine the ground-state phase diagram as a function of lattice mismatch and strength of the pinning potential. Monte Carlo simulations are used to determine the phase diagram as a function of temperature near commensurate phases. The results show a rich phase diagram with commensurate, incommensurate, and liquidlike phases with a topology strongly dependent on the type of ordered structure. A finite-size scaling analysis of the melting transition for the c(2x2) commensurate phase shows that the thermal correlation length exponent nu and specific heat behavior are consistent with the Ising universality class as expected from analytical arguments.

  20. An adaptive time-stepping strategy for solving the phase field crystal model

    SciTech Connect

    Zhang, Zhengru; Ma, Yuan; Qiao, Zhonghua

    2013-09-15

    In this work, we will propose an adaptive time step method for simulating the dynamics of the phase field crystal (PFC) model. The numerical simulation of the PFC model needs long time to reach steady state, and then large time-stepping method is necessary. Unconditionally energy stable schemes are used to solve the PFC model. The time steps are adaptively determined based on the time derivative of the corresponding energy. It is found that the use of the proposed time step adaptivity cannot only resolve the steady state solution, but also the dynamical development of the solution efficiently and accurately. The numerical experiments demonstrate that the CPU time is significantly saved for long time simulations.

  1. Inductive crystal field control in layered metal oxides with correlated electrons

    SciTech Connect

    Balachandran, P. V.; Cammarata, A.; Rondinelli, J. M.; Nelson-Cheeseman, B. B.; Bhattacharya, A.

    2014-07-01

    We show that the NiO{sub 6} crystal field energies can be tailored indirectly via heterovalent A cation ordering in layered (La,A)NiO{sub 4} Ruddlesden–Popper (RP) oxides, where A = Sr, Ca, or Ba, using density functional calculations. We leverage as a driving force the electrostatic interactions between charged [LaO]{sup 1+} and neutral [AO]{sup 0} planes to inductively tune the Ni–O bond distortions, without intentional doping or epitaxial strain, altering the correlated d-orbital energies. We use this strategy to design cation ordered LaCaNiO{sub 4} and LaBaNiO{sub 4} with distortions favoring enhanced Ni e{sub g} orbital polarization, and find local electronic structure signatures analogous to those in RP La-cuprates, i.e., parent phases of the high-temperature superconducting oxides.

  2. First and second order operator splitting methods for the phase field crystal equation

    NASA Astrophysics Data System (ADS)

    Lee, Hyun Geun; Shin, Jaemin; Lee, June-Yub

    2015-10-01

    In this paper, we present operator splitting methods for solving the phase field crystal equation which is a model for the microstructural evolution of two-phase systems on atomic length and diffusive time scales. A core idea of the methods is to decompose the original equation into linear and nonlinear subequations, in which the linear subequation has a closed-form solution in the Fourier space. We apply a nonlinear Newton-type iterative method to solve the nonlinear subequation at the implicit time level and thus a considerably large time step can be used. By combining these subequations, we achieve the first- and second-order accuracy in time. We present numerical experiments to show the accuracy and efficiency of the proposed methods.

  3. A binary phase field crystal study for liquid phase heteroepitaxial growth

    NASA Astrophysics Data System (ADS)

    Lu, Yanli; Peng, Yingying; Chen, Zheng

    2016-09-01

    The liquid phase heteroepitaxial growth on predefined crystalline substrate is studied with binary phase field crystal (PFC) model. The purpose of this paper focuses on changes of the morphology of epitaxial films, influences of substrate vicinal angles on epitaxial growth, characteristics of islands growth on both sides of the substrate as well. It is found that the morphology of epitaxial films undergoes the following transitions: layer-by-layer growth, islands formation, mismatch dislocations nucleation and climb towards the film-substrate interface. Meanwhile, the density of steps and islands has obviously direct ratio relations with the vicinal angles. Also, preferential regions are found when islands grow on both sides of the substrate. For thinner substrate, the arrangement of islands is more orderly and the appearance of preferential growth is more obvious than that of thicker substrate. Also, the existing of preferential regions is much more valid for small substrate vicinal angles in contrast for big substrate vicinal angles.

  4. Photonic crystal membrane reflectors by magnetic field-guided metal-assisted chemical etching

    NASA Astrophysics Data System (ADS)

    Balasundaram, Karthik; Mohseni, Parsian K.; Shuai, Yi-Chen; Zhao, Deyin; Zhou, Weidong; Li, Xiuling

    2013-11-01

    Metal-assisted chemical etching (MacEtch) is a simple etching method that uses metal as the catalyst for anisotropic etching of semiconductors. However, producing nano-structures using MacEtch from discrete metal patterns, in contrast to interconnected ones, has been challenging because of the difficulties in keeping the discrete metal features in close contact with the semiconductor. We report the use of magnetic field-guided MacEtch (h-MacEtch) to fabricate periodic nanohole arrays in silicon-on-insulator (SOI) wafers for high reflectance photonic crystal membrane reflectors. This study demonstrates that h-MacEtch can be used in place of conventional dry etching to produce ordered nanohole arrays for photonic devices.

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

    SciTech Connect

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

    2015-09-07

    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.

  6. Structure fits the purpose: photonic crystal fibers for evanescent-field surface-enhanced Raman spectroscopy.

    PubMed

    Khaing Oo, Maung Kyaw; Han, Yun; Kanka, Jiri; Sukhishvili, Svetlana; Du, Henry

    2010-02-15

    We report numerical simulation and hyperspectral Raman imaging of three index-guiding solid-core photonic crystal fibers (PCFs) of different air-cladding microstructures to assess their respective potential for evanescent-field Raman spectroscopy, with an emphasis on achieving surface-enhanced Raman scattering (SERS) over the entire fiber length. Suspended-core PCF consisting of a silica core surrounded by three large air channels conjoined by a thin silica web is the most robust of the three SERS-active PCFs, with a demonstrated detection sensitivity of 1x10(-10) M R6G in an aqueous solution of only approximately 7.3 microL sampling volume.

  7. A Crystal Field Approach to Orbitally Degenerate SMMs: Beyond the Spin-Only Hamiltonian

    NASA Astrophysics Data System (ADS)

    Bhaskaran, Lakshmi; Marriott, Katie; Murrie, Mark; Hill, Stephen

    Single-Molecule Magnets (SMMs) with large magnetization reversal barriers are promising candidates for high-density information storage. Recently, a large uniaxial magnetic anisotropy was observed for a mononuclear trigonal bipyramidal (TBP) [NiIICl3(Me-abco)2] SMM. High-field EPR studies analyzed on the basis of a spin-only Hamiltonian give ¦D¦>400 cm-1, which is close to the spin-orbit coupling parameter λ = 668 cm-1 for NiII, suggesting an orbitally degenerate ground state. The spin-only description is ineffective in this limit, necessitating the development of a model that includes the orbital moment. Here we describe a phenomenological approach that takes into account a full description of crystal field, electron-electron repulsion and spin-orbit coupling effects on the ground state of a NiII ion in a TBP coordination geometry. The model is in good agreement with the high-field EPR experiments, validating its use for spectroscopic studies of orbitally degenerate molecular nanomagnets. This work was supported by the NSF (DMR-1309463).

  8. The onset of layer undulations in smectic A liquid crystals due to a strong magnetic field

    NASA Astrophysics Data System (ADS)

    Contreras, A.; Garcia-Azpeitia, C.; García-Cervera, C. J.; Joo, S.

    2016-08-01

    We investigate the effect of a strong magnetic field on a three dimensional smectic A liquid crystal. We identify a critical field above which the uniform layered state loses stability; this is associated to the onset of layer undulations. In a previous work García-Cervera and Joo (2012 Arch. Ration. Mech. Anal. 203 1-43), García-Cervera and Joo considered the two dimensional case and analyzed the transition to the undulated state via a simple bifurcation. In dimension n  =  3 the situation is more delicate because the first eigenvalue of the corresponding linearized problem is not simple. We overcome the difficulties inherent to this higher dimensional setting by identifying the irreducible representations for natural actions on the functional that take into account the invariances of the problem thus allowing for reducing the bifurcation analysis to a subspace with symmetries. We are able to describe at least two bifurcation branches, highlighting the richer landscape of energy critical states in the three dimensional setting. Finally, we analyze a reduced two dimensional problem, assuming the magnetic field is very strong, and are able to relate this to a model in micromagnetics studied in Alouges et al (2002 ESAIM Control Optim. Calc. Var. 8 31-68), from where we deduce the periodicity property of minimizers.

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

    SciTech Connect

    Zhu, Xiaoyang

    2014-12-10

    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. Organic semiconductors are emerging as viable materials for low-cost electronics and optoelectronics, such as organic photovoltaics (OPV), organic field effect transistors (OFETs), and organic light emitting diodes (OLEDs). Despite extensive studies spanning many decades, a clear understanding of the nature of charge carriers in organic semiconductors is still lacking. It is generally appreciated that polaron formation and charge carrier trapping are two hallmarks associated with electrical transport in organic semiconductors; the former results from the low dielectric constants and weak intermolecular electronic overlap while the latter can be attributed to the prevalence of structural disorder. These properties have lead to the common observation of low charge carrier mobilities, e.g., in the range of 10-5 - 10-3 cm2/Vs, particularly at low carrier concentrations. However, there is also growing evidence that charge carrier mobility approaching those of inorganic semiconductors and metals can exist in some crystalline organic semiconductors, such as pentacene, tetracene and rubrene. A particularly striking example is single crystal rubrene (Figure 1), in which hole mobilities well above 10 cm2/Vs have been observed in OFETs operating at room temperature. Temperature dependent transport and spectroscopic measurements both revealed evidence of free carriers in rubrene. Outstanding questions are: what are the structural features and physical properties that make rubrene so unique? How do we establish fundamental design principles for the development of other organic semiconductors of high mobility? These questions are critically important but not comprehensive, as the nature of

  10. Experimental measurement of the near tip strain field in an iron-silicon single crystal

    NASA Astrophysics Data System (ADS)

    Shield, T. W.; Kim, K.-S.

    1994-05-01

    EXPERIMENTAL RESULTS are presented for the plastic deformation field near a crack (200 μm wide notch) tip in an iron-3% silicon single crystal. The specimen was loaded in four point bending and the measurements were made at zero load after extensive plastic deformation had occurred. Results are given for a crack on the (011) plane with its tip along the [01|T] direction. The surface deformation field was measured using moire microscopy and a grating on the specimen surface. The in-plane Almansi strain components have been obtained by digitally processing the moire fringes. A well-structured asymptotic field has been found at a distance of 350-500 μm from the notch tip, where the maximum plastic strain is about 9%. The asymptotic field is observed to be composed of many distinct angular sectors. Three (six symmetric) of these sectors are found to have approximately constant strains. In a fourth (two symmetric) sector, the surface strains are approximately 1/ r singular. Between these sectors there are interconnecting transition sectors. The location of the stress state on the yield surface and the active slip systems in each sector are identified by assuming that the plastic strain rates are normal to a Schmid law yield surface. The slip systems identified in this manner show excellent agreement with direct observations of the slip texture on the surface and dislocation etch pits in the interior of the specimen. The experimental strain measurements also show that the constant strain sectors are regions in which unloading occurs. Because of this unloading, the crack tip stress and deformation state is substantially different from an HRR type field which assumes proportional loading. This strong nonproportional loading is thought to be caused by the presence of material anisotropy. The nonproportional loading also provides a large amount of crack tip shielding that is evidence of a toughening mechanism that results from the presence of material anisotropy.

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

    SciTech Connect

    Ehlers, Georg; Gardner, Jason

    2009-01-01

    The magnetic pyrochlore Er{sub 2}Ru{sub 2}O{sub 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.

  12. Crystal field states of Tb3 + in the pyrochlore spin liquid Tb2Ti2O7 from neutron spectroscopy

    NASA Astrophysics Data System (ADS)

    Princep, A. J.; Walker, H. C.; Adroja, D. T.; Prabhakaran, D.; Boothroyd, A. T.

    2015-06-01

    We report time-of-flight neutron scattering measurements of the magnetic spectrum of Tb3 + in Tb2Ti2O7 . The data, which extend up to 120 meV and have calibrated intensity, enable us to consolidate and extend previous studies of the single-ion crystal field spectrum. We successfully refine a model for the crystal field potential in Tb2Ti2O7 without relying on data from other rare-earth titanate pyrochlores, and we confirm that the ground state is a non-Kramers doublet with predominantly |±4 > components. We compare the model critically with earlier models.

  13. Dynamics of a director reorientation and optical response of polymer films filled with a liquid crystal under strong electric field

    NASA Astrophysics Data System (ADS)

    Pasechnik, S. V.; Shmeleva, D. V.; Chopik, A. P.; Vakulenko, A. A.; Zakharov, A. V.

    2016-08-01

    The dynamics of the director reorientation in nematic liquid crystals (NLC) confined by cylindrical cavities of porous polymeric films under strong electric field E with has been investigated theoretically. The main attention was paid to the specific mode of field application characterized by abrupt changes of the applied voltage's polarity. In experiments with porous films filled with a liquid crystal 5CB such mode resulted in appearance of strong peak -like decreasing of an optical transparence of the films. Two mechanisms of such unusual response based on assumption of electrically induced motion of ions and overall motion of a liquid were considered and applied to explain experimental results.

  14. Transferability of coarse-grained force field for nCB liquid crystal systems.

    PubMed

    Zhang, Jianguo; Guo, Hongxia

    2014-05-01

    In this paper, the transferability of the coarse-grained (CG) force field originally developed for the liquid crystal (LC) molecule 5CB ( Zhang et al. J. Phys. Chem. B 2012 , 116 , 2075 - 2089 ) was investigated by its homologues 6CB and 8CB molecules. Note that, to construct the 5CB CG force field, we combined the structure-based and thermodynamic quantities-based methods and at the same time attempted to use several fragment molecular systems to derive the CG nonbonded interaction parameters. The resultant 5CB CG force field exhibits a good transferability to some extent. For example, not only the experimental densities, the local packing of atom groups, and the antiparallel arrangements of nearest neighboring molecules, but also the unique LC mesophases as well as the nematic-isotropic phase transition temperatures of 6CB and 8CB were reproduced. Meanwhile, the limitations of this 5CB CG force field were also observed, such as the phase transition from nematic to smectic was postponed to the lower temperature and the resulting smectic phase structure is single-layer-like instead of partially interdigitated bilayer-like as observed in underlying atomistic model. Apparently, more attention should be paid when applying a CG force field to the state point which is quite different from which the force field is explicitly parametrized for. The origin of the above limitations can be potentially traced back to the inherent simplifications and some approximations often adopted in the creation process of CG force field, for example, choosing symmetric CG potentials which do not explicitly include electrostatic interactions and are parametrized by reproducing the target properties of the specific nematic 5CB phase at 300 K and 1 atm, as well as using soft nonbonded potential and excluding torsion barriers. Moreover, although by construction this CG force field could inevitably incorporate both thermodynamic and local structural information on the nematic 5CB phase, the

  15. Defected-core photonic crystal fiber magnetic field sensor based on Sagnac interferometer

    NASA Astrophysics Data System (ADS)

    Liu, Qiang; Li, Shuguang; Dou, Chao; Wang, Xinyu

    2017-03-01

    A high-sensitivity magnetic field sensor based on photonic crystal fiber (PCF) Sagnac interferometer is proposed by finite element method (FEM). The elliptical-hole PCF is injected with water-based magnetic fluid. The fiber core is introduced in an elliptical hole to act as a defected core. The sensitivities are 13.25 and -14.32 nm/Oe at the wavelength of 1750 and 1780 nm, respectively, as the magnetic field H is 100 Oe. The simulation result shows that the sensitivity is extremely high near the wavelength of 1765 nm, because the group birefringence Bg is about zero at that wavelength. The above theory is examined in a different configuration by the transmission mode. The average sensitivities are 0.265, 1.63 and -1.915 nm/Oe, respectively, for the dip wavelength A, B and C as the fiber length is 5 cm. The detecting window is 60Oe. We also demonstrate that the sensitivity can be greatly enhanced by 1-2 orders of magnitude by introducing a defected core.

  16. Nonlinear driven response of a phase-field crystal in a periodic pinning potential.

    PubMed

    Achim, C V; Ramos, J A P; Karttunen, M; Elder, K R; Granato, E; Ala-Nissila, T; Ying, S C

    2009-01-01

    We study numerically the phase diagram and the response under a driving force of the phase field crystal model for pinned lattice systems introduced recently for both one- and two-dimensional systems. The model describes the lattice system as a continuous density field in the presence of a periodic pinning potential, allowing for both elastic and plastic deformations of the lattice. We first present results for phase diagrams of the model in the absence of a driving force. The nonlinear response to a driving force on an initially pinned commensurate phase is then studied via overdamped dynamic equations of motion for different values of mismatch and pinning strengths. For large pinning strength the driven depinning transitions are continuous, and the sliding velocity varies with the force from the threshold with power-law exponents in agreement with analytical predictions. Transverse depinning transitions in the moving state are also found in two dimensions. Surprisingly, for sufficiently weak pinning potential we find a discontinuous depinning transition with hysteresis even in one dimension under overdamped dynamics. We also characterize structural changes of the system in some detail close to the depinning transition.

  17. Anisotropy of the local field of the light wave in cholesteric liquid crystals

    NASA Astrophysics Data System (ADS)

    Aver'yanov, E. M.

    2010-05-01

    The experimental values of the L j components of the Lorentz tensor have been obtained for the first time for the quasinematic layer of the cholesteric phase and in the smectic phase A for homologs of cholesteric fatty ethers using the dispersion dependences of the refraction indices for the planar texture of cholesteric liquid crystals (CLCs). The dependence of the L j components on the homolog number, mesophase temperature, the magnitude of birefringence, and the change in the orientational ordering of molecules in the cholesteric phase and at the cholesteric-smectic A phase transition was determined. Isotropization of the Lorentz tensor L and the local field tensor f was found for CLCs when the birefringence of LCs and the anisotropy of molecular polarizability decreased simultaneously. The anisotropy Δ f was found to be negative for the quasinematic layer of CLCs and the smectic phase in the visible range of the spectrum. The values of L j , obtained with known local field models for CLCs and smectics A, gave positive Δ f irrespective of the chemical structure of molecules, optical anisotropy of LCs, and the spectral region, which contradicts to the experiment.

  18. Transferability of empirical crystal-field parameters of Ni(II) complexes of different symmetries

    NASA Astrophysics Data System (ADS)

    Beltrán, F. Gómez; Sordo, J. A.; Pueyo, L.

    1982-10-01

    A method of systematic linearization of the crystal-field matrices appropriate for obtaining empirical parameters of transition metal complexes of any symmetry is presented and applied to forty complexes of Ni 2+ of Oh and D4 h symmetries. The method is a generalization of that proposed by L. Pueyo, M. Bermejo, and J. W. Richardson ( J. Solid State Chem.31, 217 (1980)) for complexes of Oh symmetry and incorporates the spin-orbit coupling in a very simple manner. Using this method, classical parameters, such as 10 Dq, and punctual quantities, such as the ligand perturbing charges qi, were obtained for these complexes. The former are transferable within 10% if (a) there are not big changes in the metal-ligand distances and (b) the chemical environments of the ligand atoms are comparable. However, the punctual parameters show variations of 20% or more. Electronic repulsion integrals seem to be nicely transferable by means of addition rules based on the hypothesis of isotropic repulsion in the low-symmetry field. Since one of the fitting parameters is a scaling factor of the Rnl( r) metal function, the process of optimization generates an empirical representation, Rnl( λr), of the locally perturbed metallic state.

  19. Linear magnetoresistance and zero-field anomalies in HfNiSn single crystals

    NASA Astrophysics Data System (ADS)

    Steinke, Lucia; Kistner-Morris, Jedediah J.; Deng, Haiming; Geschwind, Gayle; Aronson, Meigan C.

    The Half-Heusler compound HfNiSn is probably best known as a candidate material for thermoelectric applications, and studies of its properties have mainly focused on polycrystalline samples and thin films. However, magnetotransport studies of HfNiSn show unusual transport properties like linear magnetoresistance (LMR), where single-crystalline samples of HfNiSn exhibit unexpected LMR at very low fields. In this work, we optimized the solution growth of HfNiSn to obtain high-quality single crystals, where electrical transport measurements show that it is a compensated semimetal below ~ 200 K, where the Hall voltage is zero. At higher temperatures, we see a finite Hall contribution from activated excess carriers. In the semimetallic regime, we observe transport anomalies like resistive signals that strongly depend on contact configuration, and LMR below 5 K. Both low-field DC and low frequency AC magntization measurements show pronounced diamagnetic behavior and the onset of paramagnetism below 4 K. High-frequency diamagnetic screening may be attributed to a decreased skin depth with decreased resistance, but this scenario seems unlikely in HfNiSn since the measured resistance increases steeply at the lowest temperatures This research was supported by the Army Research Office.

  20. Quantum spin-1 anisotropic ferromagnetic Heisenberg model in a crystal field: a variational approach.

    PubMed

    Carvalho, D C; Plascak, J A; Castro, L M

    2013-09-01

    A variational approach based on Bogoliubov inequality for the free energy is employed in order to treat the quantum spin-1 anisotropic ferromagnetic Heisenberg model in the presence of a crystal field. Within the Bogoliubov scheme an improved pair approximation has been used. The temperature-dependent thermodynamic functions have been obtained and provide much better results than the previous simple mean-field scheme. In one dimension, which is still nonintegrable for quantum spin-1, we get the exact results in the classical limit, or near-exact results in the quantum case, for the free energy, magnetization, and quadrupole moment, as well for the transition temperature. In two and three dimensions the corresponding global phase diagrams have been obtained as a function of the parameters of the Hamiltonian. First-order transition lines, second-order transition lines, tricritical and tetracritical points, and critical endpoints have been located through the analysis of the minimum of the Helmholtz free energy and a Landau-like expansion in the approximated free energy. Only first-order quantum transitions have been found at zero temperature. Limiting cases, such as isotropic Heisenberg, Blume-Capel, and Ising models, have been analyzed and compared to previous results obtained from other analytical approaches as well as from Monte Carlo simulations.

  1. Twofold and Fourfold Symmetric Anisotropic Magnetoresistance Effect in a Model with Crystal Field

    NASA Astrophysics Data System (ADS)

    Kokado, Satoshi; Tsunoda, Masakiyo

    2015-09-01

    We theoretically study the twofold and fourfold symmetric anisotropic magnetoresistance (AMR) effects of ferromagnets. We here use the two-current model for a system consisting of a conduction state and localized d states. The localized d states are obtained from a Hamiltonian with a spin-orbit interaction, an exchange field, and a crystal field. From the model, we first derive general expressions for the coefficient of the twofold symmetric term (C2) and that of the fourfold symmetric term (C4) in the AMR ratio. In the case of a strong ferromagnet, the dominant term in C2 is proportional to the difference in the partial densities of states (PDOSs) at the Fermi energy (EF) between the dɛ and dγ states, and that in C4 is proportional to the difference in the PDOSs at EF among the dɛ states. Using the dominant terms, we next analyze the experimental results for Fe4N, in which |C2| and |C4| increase with decreasing temperature. The experimental results can be reproduced by assuming that the tetragonal distortion increases with decreasing temperature.

  2. High-magnetic-field transport properties and irreversibility line of single crystals (2212) and ceramics of BPSCCO (2223)

    NASA Astrophysics Data System (ADS)

    Pradhan, A. K.; Chen, C.; Wanklyn, B. M.

    1995-02-01

    We have measured the high-magnetic-field (up to 15 T) transport properties of (BiPb) 2Sr 2Ca 1Cu 2O y (BPSCCO) single crystals and (2223) ceramics. We have extracted the melting line of BPSCCO crystals from the measurements of precise I- V curves when the field is applied parallel to the c-axis and shown that the melting line coincides with the irreversibility line measured by the magnetisation technique. This is explained for the case of weak pinning. The depinning line was found to be 10 to 12 K above the melting line. The observed hump in the magnetoresistance curve above 2 T predicts the depinning of flux from the weak pinning centres when the temperature approaches the depinning temperature. The basic behavior of ceramic BPSCCO, although having a higher Tc, is similar to its single crystal analogue with (2212) phase except for the enhanced depinning line.

  3. Diffusion-controlled anisotropic growth of stable and metastable crystal polymorphs in the phase-field crystal model.

    PubMed

    Tegze, G; Gránásy, L; Tóth, G I; Podmaniczky, F; Jaatinen, A; Ala-Nissila, T; Pusztai, T

    2009-07-17

    We use a simple density functional approach on a diffusional time scale, to address freezing to the body-centered cubic (bcc), hexagonal close-packed (hcp), and face-centered cubic (fcc) structures. We observe faceted equilibrium shapes and diffusion-controlled layerwise crystal growth consistent with two-dimensional nucleation. The predicted growth anisotropies are discussed in relation with results from experiment and atomistic simulations. We also demonstrate that varying the lattice constant of a simple cubic substrate, one can tune the epitaxially growing body-centered tetragonal structure between bcc and fcc, and observe a Mullins-Sekerka-Asaro-Tiller-Grinfeld-type instability.

  4. Effect of carbon substitution on low magnetic field AC losses in MgB 2 single crystals

    NASA Astrophysics Data System (ADS)

    Ciszek, M.; Rogacki, K.; Karpiński, J.

    2011-11-01

    The DC magnetization and AC magnetic susceptibilities were measured for MgB2 single crystals, unsubstituted and carbon substituted with the composition of Mg(B0.94C0.06)2. AC magnetic losses were derived from the AC susceptibility data as a function of the AC amplitude and the DC bias magnetic field. From the DC magnetization loops critical current densities were derived as a function of temperature and DC field. Results show that the substitution with carbon decreases critical current densities at low external magnetic fields, in contrast to the well known effect of an increase of the critical current densities at higher magnetic fields.

  5. Anisotropy of Lamb and SH waves propagation in langasite single crystal plates under the influence of dc electric field.

    PubMed

    Burkov, S I; Zolotova, O P; Sorokin, B P

    2012-03-01

    Paper is presented the results of computer simulation. Effect of the homogeneous dc electric field influence on the propagation of zero and first order Lamb and SH waves in piezoelectric langasite single crystal plates for a lot of cuts and directions have been calculated. Crystalline directions and cuts with maximal and minimal influence of dc electric field have indicated. Effect of hybridization of plate modes has been discussed.

  6. Magma Differentiation and Storage Inferred from Crystal Textures at Harrat Rahat Volcanic Field, Kingdom of Saudi Arabia

    NASA Astrophysics Data System (ADS)

    Witter, M. R.; Mahood, G. A.; Stelten, M. E.; Downs, D. T.; Zahran, H. M.

    2015-12-01

    We present results of a petrographic study of Harrat Rahat volcanic field in western Saudi Arabia as part of a collaborative project between the U.S.G.S. and the Saudi Geological Survey. Lavas range in composition from alkali basalt to trachyphonolite. Basalts have <2-10 vol.% phenocrysts of euhedral olivine and plagioclase (± minor clinopyroxene). In intermediate lavas, phenocrysts (<5 vol.%) of olivine and plagioclase are resorbed, and plagioclase also exhibits sieve textures and strong zoning, indicative of complex magmatic histories. Trachyphonolite lavas have 0-35 vol.% large phenocrysts of anorthoclase and trace fayalitic olivine but are characterized by a size distribution of crystals that is seriate in hand specimen, so that most exceeded 45% crystals at the time of eruption. Some contain groundmass alkali amphibole. Crystal size distributions (CSD) of crystal-rich trachyphonolites produce simple linear trends (see below), which are interpreted as signifying that all the crystals are related through a common nucleation and growth history, at more or less constant pressure. Linear CSDs indicate no loss of small crystals due to reheating of magmas by recharge, no gain of small crystals due to late-stage nucleation on ascent or degassing, and no addition of large phenocrysts by crystal accumulation or magma mixing. Experimental studies demonstrate that silica-undersaturated evolved magmas like those erupted at Harrat Rahat can form by fractionation of alkali basalts at crustal depths greater than ~25 km. The observed phenocryst assemblage in the trachyphonolites, however, forms at shallow depths, ~2-4 km, according to MELTS modeling. Coupled with CSD data, this suggests that deep extraction events yield crystal-poor trachyphonolite magmas that rise to the upper crust where they undergo crystallization. Extensive shallow crystallization of trachyphonolites may have triggered eruptions by causing vapor saturation, which lowers magma density via vesiculation and

  7. Bimodal random crystal field distribution effects on the ferrimagnetic mixed spin-1/2 > and spin-3/2 Blume-Capel model

    NASA Astrophysics Data System (ADS)

    Yigit, Ali; Albayrak, Erhan

    2013-03-01

    The effects of bimodal random crystal field on the phase diagrams and magnetization curves of ferrimagnetic mixed spin-1/2 and spin-3/2 Blume-Capel model are examined by using the effective field theory with correlations for honeycomb lattice. The phase diagrams are obtained on the (Δ,kT/|J|), (Δ,Tcomp) and (p,kT/|J|) planes for given values of p and Δ, respectively. The model exhibits only the second-order phase transitions as in the Blume-Capel model with constant crystal fields. In addition, it was found that the model presents one or two compensation temperatures for appropriate values of random crystal field for given probability in contrast to constant crystal field case. Therefore, it is shown that the random crystal field considerably affects the thermal variations of net and sublattice magnetizations.

  8. Single Crystal Paleointensity Analyses of Olivine-Diogenites: Implications for a Past Vestan Magnetic Field

    NASA Astrophysics Data System (ADS)

    Tarduno, J. A.; Cottrell, R. D.

    2012-04-01

    Pioneering studies of meteorites and recent investigations have presented paleomagnetic data suggesting some parent bodies had dynamos. With this background, meteorites of the Howardite-Eucrite-Diogenite (HED) group of anchondrites, linked to the differentiated asteroid 4 Vesta, represent promising targets for magnetic investigation. Prior studies of HED meteorites have yielded contrasting results. Cisowski [1] reported low paleofields (1-5 μT) from two unbrecciated eucrites, whereas Morden [2] reported paleointensities of up to 37 μT from Thellier analyses of the brecciated Millbillillie eucrite; the latter were interpreted as indicative of a past dynamo. The age of the Millbillillie magnetization might be approximately 3.55 Ga [3] when the meteorite was heated by impact. Fu and Weiss [4-5] have recently reported a study of fusion crust of the Millibillie eucrite, supporting the conclusion that the meteorite preserves an ancient magnetization, but with very low (2-3 μT) paleointensity values. Here we discuss results from Northwest Africa (NWA) 5480, which is a olivine-diogenite (or harzburgite), 57 vol% olivine and 42 vol% orthopyroxene. Olivine is found in bands that have been interpreted as magmatic flow within the Vestan mantle [6-7]. We use single crystal paleointensity analyses [8]. Olivine grains 1-2 mm in size were separated for analyses. We specifically exclude grains with large visible inclusions as these may be multidomain magnetic minerals which relax on relatively short timescales. Magnetic hysteresis measurements suggest that olivine hosts single to pseudo-single domain magnetic inclusions suitable for paleointensity analyses. Thermal demagnetization reveals removal of several scattered magnetizations at low unblocking temperatures, followed by stable decay at higher temperatures. Thellier-Coe paleointensity data suggest a field of approximately 36 μT. These preliminary data, if confirmed, imply a Vestan dynamo because alternative primary magnetic

  9. The influence of detector size relative to field size in small-field photon-beam dosimetry using synthetic diamond crystals as sensors

    NASA Astrophysics Data System (ADS)

    Ade, N.; Nam, T. L.

    2015-08-01

    The choice of a detector for small-field dosimetry remains a challenge due to the size/volume effect of detectors in small fields. Aimed at selecting a suitable crystal type and detector size for small-field dosimetry, this study investigates the relationship between detector and field size by analysing output factors (OFs) measured with a Diode E (reference detector), a Farmer chamber and synthetic diamond detectors of various types and sizes in the dosimetry of a 6 MV photon beam with small fields between 0.3×0.3 cm2 and 10×10 cm2. The examined diamond sensors included two HPHT samples (HP1 and HP2) and six polycrystalline CVD specimens of optical grade (OG) and detector grade (DG) qualities with sizes between 0.3 and 1.0 cm. Each diamond was encapsulated in a tissue-equivalent probe housing which can hold crystals of various dimensions up to 1.0×1.0×0.1 cm3 and has different exposure geometries ('edge-on' and 'flat-on') for impinging radiation. The HPHT samples were found to show an overall better performance compared to the CVD crystals with the 'edge-on' orientation being a preferred geometry for OF measurement especially for very small fields. For instance, down to a 0.4×0.4 cm2 field a maximum deviation of 1.9% was observed between the OFs measured with Diode E and HP2 in the 'edge-on' orientation compared to a 4.6% deviation in the 'flat-on' geometry. It was observed that for fields below 4×4 cm2, the dose deviation between the OFs measured with the detectors and Diode E increase with increasing detector size. It was estimated from an established relationship between the dose deviation and the ratio of detector size to field size for the detectors that the dose deviation probably due to the volume averaging effect would be >3% when the detector size is >3/4 of the field size. A sensitivity value of 223 nC Gy-1 mm-3 was determined in a 0.5×0.5 cm2 field with HP2 compared to a value of 159.2 nC Gy-1 mm-3 obtained with the diode. The results of this

  10. Electric-field-induced transport of microspheres in the isotropic and chiral nematic phase of liquid crystals

    NASA Astrophysics Data System (ADS)

    Oh, Jiyoung; Gleeson, Helen F.; Dierking, Ingo

    2017-02-01

    The application of an electric field to microspheres suspended in a liquid crystal causes particle translation in a plane perpendicular to the applied field direction. Depending on applied electric field amplitude and frequency, a wealth of different motion modes may be observed above a threshold, which can lead to linear, circular, or random particle trajectories. We present the stability diagram for these different translational modes of particles suspended in the isotropic and the chiral nematic phase of a liquid crystal and investigate the angular velocity, circular diameter, and linear velocity as a function of electric field amplitude and frequency. In the isotropic phase a narrow field amplitude-frequency regime is observed to exhibit circular particle motion whose angular velocity increases with applied electric field amplitude but is independent of applied frequency. The diameter of the circular trajectory decreases with field amplitude as well as frequency. In the cholesteric phase linear as well as circular particle motion is observed. The former exhibits an increasing velocity with field amplitude, while decreasing with frequency. For the latter, the angular velocity exhibits an increase with field amplitude and frequency. The rotational sense of the particles on a circular trajectory in the chiral nematic phase is independent of the helicity of the liquid crystalline structure, as is demonstrated by employing a cholesteric twist inversion compound.

  11. Electro-optical properties of a nematic liquid crystal cell by double-side fringe-field switching

    NASA Astrophysics Data System (ADS)

    Xiang, C. Y.; Sun, X. W.

    2004-09-01

    The electro-optical and response properties of a nematic liquid crystal cell driven by double-side fringe-field switching [C. Y. Xiang, X. W. Sun, and X. J. Yin, Appl. Phys. Lett. 83, 5154 (2003)] have been studied. The transmission-voltage curve of the double-side fringe-field cell can be modeled by the change of the maximum twist angle. It is shown that the liquid crystal layer is linearly twisted before the transmission reaches the maximum. The threshold voltage of double-side fringe-field switching is the same as that of single-side fringe-field switching. The turn-on and turn-off response times, showing four time improvement over the single-side fringe-field switching, have been derived. The experimental turn-off times of the double-sides fringe-field switching and single-side fringe-field switching cell match with the theoretical prediction. The experimental turn-on time of the double-side fringe-field switching cell shows four times improvement over the single-side fringe-field one as predicted by the theoretical analysis.

  12. Electric-field-induced transport of microspheres in the isotropic and chiral nematic phase of liquid crystals.

    PubMed

    Oh, Jiyoung; Gleeson, Helen F; Dierking, Ingo

    2017-02-01

    The application of an electric field to microspheres suspended in a liquid crystal causes particle translation in a plane perpendicular to the applied field direction. Depending on applied electric field amplitude and frequency, a wealth of different motion modes may be observed above a threshold, which can lead to linear, circular, or random particle trajectories. We present the stability diagram for these different translational modes of particles suspended in the isotropic and the chiral nematic phase of a liquid crystal and investigate the angular velocity, circular diameter, and linear velocity as a function of electric field amplitude and frequency. In the isotropic phase a narrow field amplitude-frequency regime is observed to exhibit circular particle motion whose angular velocity increases with applied electric field amplitude but is independent of applied frequency. The diameter of the circular trajectory decreases with field amplitude as well as frequency. In the cholesteric phase linear as well as circular particle motion is observed. The former exhibits an increasing velocity with field amplitude, while decreasing with frequency. For the latter, the angular velocity exhibits an increase with field amplitude and frequency. The rotational sense of the particles on a circular trajectory in the chiral nematic phase is independent of the helicity of the liquid crystalline structure, as is demonstrated by employing a cholesteric twist inversion compound.

  13. Viewing Angle Characteristics of Transflective Display in a Homogeneously Aligned Liquid Crystal Cell Driven by Fringe-Field

    NASA Astrophysics Data System (ADS)

    Jung, Tae Bong; Song, Je Hoon; Seo, Dae-Shik; Lee, Seung Hee

    2004-09-01

    We have studied the optimal cell configuration for a fringe-field driven transflective liquid crystal display that exhibits high image quality. The cell is composed of two half-plate compensation films, liquid crystal, and two parallel polarizers in the transmissive region. Viewing angle characteristics of the device mainly depends on the orientation of the polarizer axis. The measured contrast ratio in an optimized configuration is greater than 5 in polar angles of over 50° in all directions and in those over 80° in certain azimuthal cross-sectional planes.

  14. Terahertz field enhancement via coherent superposition of the pulse sequences after a single optical-rectification crystal

    SciTech Connect

    Sajadi, Mohsen Wolf, Martin; Kampfrath, Tobias

    2014-03-03

    Terahertz electromagnetic pulses are frequently generated by optical rectification of femtosecond laser pulses. In many cases, the efficiency of this process is known to saturate with increasing intensity of the generation beam because of two-photon absorption. Here, we demonstrate two routes to reduce this effect in ZnTe(110) crystals and enhance efficiency, namely, by (i) recycling the generation pulses and by (ii) splitting each generation pulse into two pulses before pumping the crystal. In both methods, the second pulse arrives ∼1 ns after the first one, sufficiently long for optically generated carriers to relax. Enhancement is achieved by coherently superimposing the two resulting terahertz fields.

  15. Heteromorphism and crystallization paths of katungites, Navajo volcanic field, Arizona, USA

    SciTech Connect

    Laughlin, A.W.; Charles, R.W.; Aldrich, M.J. Jr.

    1986-01-01

    A swarm of thin, isochemical but heteromorphic dikes crops out in the valley of Hasbidito Creek in NE Arizona. The swarm is part of the dominantly potassic, mid-Tertiary Navajo volcanic field of the Colorado Plateau. Whole-rock chemical analyses of five samples from four of the dikes indicate that they are chemically identical to the katungites of Uganda. These dikes show the characteristic seriate-porphyritic texture of lamprophyres. Samples of an olivine-melilitite dike from the same swarm lack this texture and the chemical analysis, while similar to those of the other dikes, shows effects from the incorporation of xenocrystic olivine. Over 20 mineral phases have been identified in the Arizona samples and as many as 18 phases may occur in a single sample. The major phases are phlogopite, olivine, perovskite, opaque oxides, +- melilite and +- clinopyroxene. Based upon the modal mineralogies and textures of ten dike samples, we recognize five general non-equilibrium assemblages. Comparison of these assemblages with recent experimental results shows that they represent various combinations of complete and incomplete reactions. Reaction relations were determined by entering melt and phase compositions into the computer program GENMIX to obtain balanced reactions. By combining petrographic observations with mineral chemical data, balanced reactions from GENMIX, and the recently determined phase diagrams we are able to trace crystallization paths for the katungite magma.

  16. An energy stable, hexagonal finite difference scheme for the 2D phase field crystal amplitude equations

    NASA Astrophysics Data System (ADS)

    Guan, Zhen; Heinonen, Vili; Lowengrub, John; Wang, Cheng; Wise, Steven M.

    2016-09-01

    In this paper we construct an energy stable finite difference scheme for the amplitude expansion equations for the two-dimensional phase field crystal (PFC) model. The equations are formulated in a periodic hexagonal domain with respect to the reciprocal lattice vectors to achieve a provably unconditionally energy stable and solvable scheme. To our knowledge, this is the first such energy stable scheme for the PFC amplitude equations. The convexity of each part in the amplitude equations is analyzed, in both the semi-discrete and fully-discrete cases. Energy stability is based on a careful convexity analysis for the energy (in both the spatially continuous and discrete cases). As a result, unique solvability and unconditional energy stability are available for the resulting scheme. Moreover, we show that the scheme is point-wise stable for any time and space step sizes. An efficient multigrid solver is devised to solve the scheme, and a few numerical experiments are presented, including grain rotation and shrinkage and grain growth studies, as examples of the strength and robustness of the proposed scheme and solver.

  17. Incorporating physically-based microstructures in materials modeling: Bridging phase field and crystal plasticity frameworks

    DOE PAGES

    Lim, Hojun; Abdeljawad, Fadi; Owen, Steven J.; ...

    2016-04-25

    Here, the mechanical properties of materials systems are highly influenced by various features at the microstructural level. The ability to capture these heterogeneities and incorporate them into continuum-scale frameworks of the deformation behavior is considered a key step in the development of complex non-local models of failure. In this study, we present a modeling framework that incorporates physically-based realizations of polycrystalline aggregates from a phase field (PF) model into a crystal plasticity finite element (CP-FE) framework. Simulated annealing via the PF model yields ensembles of materials microstructures with various grain sizes and shapes. With the aid of a novel FEmore » meshing technique, FE discretizations of these microstructures are generated, where several key features, such as conformity to interfaces, and triple junction angles, are preserved. The discretizations are then used in the CP-FE framework to simulate the mechanical response of polycrystalline α-iron. It is shown that the conformal discretization across interfaces reduces artificial stress localization commonly observed in non-conformal FE discretizations. The work presented herein is a first step towards incorporating physically-based microstructures in lieu of the overly simplified representations that are commonly used. In broader terms, the proposed framework provides future avenues to explore bridging models of materials processes, e.g. additive manufacturing and microstructure evolution of multi-phase multi-component systems, into continuum-scale frameworks of the mechanical properties.« less

  18. Crystal electric field excitations in quasicrystal approximant TbCd6 studied by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Das, Pinaki; Flint, R.; Kong, T.; Canfield, P. C.; Kreyssig, A.; Goldman, A. I.; de Boissieu, M.; Lory, P.-F.; Beutier, G.; Hiroto, T.

    All of the known quasicrystals with local moments exhibit frustration and spin glass-like behavior at low temperature. The onset of the spin freezing temperature is believed to be affected by the crystal electric field (CEF) splitting of the local moments. The quasicrystal approximant TbCd6 and its related icosahedral quasicrystal phase, i-Tb-Cd, form a set of model systems to explore how magnetism evolves from a conventional lattice (approximant phase) to an aperiodic quasicrystal. Though TbCd6 shows long-range antiferromagnetic ordering (TN = 24 K), only spin glass like behavior is observed in i-Tb-Cd with a spin freezing temperature of TF = 6 K. To investigate further, we have performed inelastic neutron scattering measurements on powder samples of TbCd6 and observed two distinct CEF excitations at low energies which points to a high degeneracy of the CEF levels related to the Tb surrounding with almost icosahedral symmetry. Work at Ames Laboratory was supported by the DOE, BES, Division of Materials Sciences & Engineering, under Contract No. DE-AC02-07CH11358. This research used resources at Institut Laue-Langevin, France.

  19. Crystal electric field effects and thermal expansion of rare-earth hexaborides

    NASA Astrophysics Data System (ADS)

    Novikov, V. V.; Pilipenko, E. S.; Bud'ko, S. L.

    2017-02-01

    Anomalies in the magnetic contribution to the thermal expansion coefficients ∆β(T)of the CeB6, PrB6, and NdB6 hexaborides in the range of 5-300 K were found by comparison with diamagnetic LaB6. The characteristic of the anomalies was the same in all the studied borides: a distinct peak at low temperatures, followed by a broad maximum at higher temperatures (50-100 K), then a decrease and transition to the region of negative values as the temperature increases further. The features of ∆β(T) are explained by the effects of the magnetic order (sharp low temperature peaks) and the crystal electric field (CEF). The βCEF(T) dependencies were calculated using Raman and neutron scattering data on the splitting of the rare-earth (RE) ions R3+ f-level by the CEF. A satisfactory consistency between the values of βCEF(T) and ∆β(T)was obtained for the studied hexaborides. Additionally, we determined the values of the Grüneisen parameter γi that correspond to the transition between the ground and excited multiplets of R3+ ions f-level splitting.

  20. Touch sensors based on planar liquid crystal-gated-organic field-effect transistors

    NASA Astrophysics Data System (ADS)

    Seo, Jooyeok; Lee, Chulyeon; Han, Hyemi; Lee, Sooyong; Nam, Sungho; Kim, Hwajeong; Lee, Joon-Hyung; Park, Soo-Young; Kang, Inn-Kyu; Kim, Youngkyoo

    2014-09-01

    We report a tactile touch sensor based on a planar liquid crystal-gated-organic field-effect transistor (LC-g-OFET) structure. The LC-g-OFET touch sensors were fabricated by forming the 10 μm thick LC layer (4-cyano-4'-pentylbiphenyl - 5CB) on top of the 50 nm thick channel layer (poly(3-hexylthiophene) - P3HT) that is coated on the in-plane aligned drain/source/gate electrodes (indium-tin oxide - ITO). As an external physical stimulation to examine the tactile touch performance, a weak nitrogen flow (83.3 μl/s) was employed to stimulate the LC layer of the touch device. The LC-g-OFET device exhibited p-type transistor characteristics with a hole mobility of 1.5 cm2/Vs, but no sensing current by the nitrogen flow touch was measured at sufficiently high drain (VD) and gate (VG) voltages. However, a clear sensing current signal was detected at lower voltages, which was quite sensitive to the combination of VD and VG. The best voltage combination was VD = -0.2 V and VG = -1 V for the highest ratio of signal currents to base currents (i.e., signal-to-noise ratio). The change in the LC alignment upon the nitrogen flow touch was assigned as the mechanism for the present LC-g-OFET touch sensors.

  1. Phase field crystal study on the grain boundary porosity induced by the Kirkendall effect

    NASA Astrophysics Data System (ADS)

    Lu, Guang-Ming; Lu, Yan-Li; Hu, Ting-Ting; Chen, Zheng

    2016-03-01

    Grain boundary (GB) porosity strongly degrades the bonding quality of interfaces and affects the physical and mechanical properties of solid polycrystalline materials. In this paper, the formation and evolution mechanisms of porosity at the grain boundary were investigated using the binary phase field crystal simulation method. Simulated results indicate that the Kirkendall effect existing in the interdiffusion of substitutional binary alloys can result in GB porosity. For the low-angle grain boundary interdiffusion system, the porosity initially forms at the isolated dislocation core, evolving from circle to irregular polygon. For the large-angle GB interdiffusion system, the porosity initially forms at the dislocation core close to the diffusion plane, and then evolves toward the dislocation cores away from the diffusion plane. The porosities finally connect as a continuous slit that splits up the GB. The results also show that the diffusion of fast diffusers along the GB is obviously enhanced with the mobility ratio of species A and B increasing. Our simulation results agree well with theoretical and experimental results.

  2. Incorporating physically-based microstructures in materials modeling: Bridging phase field and crystal plasticity frameworks

    SciTech Connect

    Lim, Hojun; Abdeljawad, Fadi; Owen, Steven J.; Hanks, Byron W.; Foulk, James W.; Battaile, Corbett C.

    2016-04-25

    Here, the mechanical properties of materials systems are highly influenced by various features at the microstructural level. The ability to capture these heterogeneities and incorporate them into continuum-scale frameworks of the deformation behavior is considered a key step in the development of complex non-local models of failure. In this study, we present a modeling framework that incorporates physically-based realizations of polycrystalline aggregates from a phase field (PF) model into a crystal plasticity finite element (CP-FE) framework. Simulated annealing via the PF model yields ensembles of materials microstructures with various grain sizes and shapes. With the aid of a novel FE meshing technique, FE discretizations of these microstructures are generated, where several key features, such as conformity to interfaces, and triple junction angles, are preserved. The discretizations are then used in the CP-FE framework to simulate the mechanical response of polycrystalline α-iron. It is shown that the conformal discretization across interfaces reduces artificial stress localization commonly observed in non-conformal FE discretizations. The work presented herein is a first step towards incorporating physically-based microstructures in lieu of the overly simplified representations that are commonly used. In broader terms, the proposed framework provides future avenues to explore bridging models of materials processes, e.g. additive manufacturing and microstructure evolution of multi-phase multi-component systems, into continuum-scale frameworks of the mechanical properties.

  3. Appearance of singularities of optical fields under torsion of crystals containing threefold symmetry axes.

    PubMed

    Skab, Ihor; Vasylkiv, Yurij; Zapeka, Bohdan; Savaryn, Viktoriya; Vlokh, Rostyslav

    2011-07-01

    We present an analysis of the effect of torsion stresses on the spatial distribution of optical birefringence in crystals of different point symmetry groups. The symmetry requirements needed so that the optical beam carries dislocations of the phase front are evaluated for the case when the crystals are twisted and the beam closely corresponds to a plane wave. It is shown that the torsion stresses can produce screw-edge, pure screw, or pure edge dislocations of the phase front in the crystals belonging to cubic and trigonal systems. The conditions for appearance of canonical and noncanonical vortices in the conditions of crystal torsion are analyzed.

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

    PubMed Central

    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, without requiring additional fabrication steps or complicated drive schemes. Furthermore, the devices fabricated with this method exhibit a reduced color shift and excellent dynamic stability, even with a high applied voltage and under external pressure. PMID:27301651

  5. Crystallization of spin superlattices with pressure and field in the layered magnet SrCu2(BO3)2

    PubMed Central

    Haravifard, S.; Graf, D.; Feiguin, A. E.; Batista, C. D.; Lang, J. C.; Silevitch, D. M.; Srajer, G.; Gaulin, B. D.; Dabkowska, H. A.; Rosenbaum, T. F.

    2016-01-01

    An exact mapping between quantum spins and boson gases provides fresh approaches to the creation of quantum condensates and crystals. Here we report on magnetization measurements on the dimerized quantum magnet SrCu2(BO3)2 at cryogenic temperatures and through a quantum-phase transition that demonstrate the emergence of fractionally filled bosonic crystals in mesoscopic patterns, specified by a sequence of magnetization plateaus. We apply tens of Teslas of magnetic field to tune the density of bosons and gigapascals of hydrostatic pressure to regulate the underlying interactions. Simulations help parse the balance between energy and geometry in the emergent spin superlattices. The magnetic crystallites are the end result of a progression from a direct product of singlet states in each short dimer at zero field to preferred filling fractions of spin-triplet bosons in each dimer at large magnetic field, enriching the known possibilities for collective states in both quantum spin and atomic systems. PMID:27320787

  6. Crystallization of spin superlattices with pressure and field in the layered magnet SrCu2(BO3)2

    NASA Astrophysics Data System (ADS)

    Haravifard, S.; Graf, D.; Feiguin, A. E.; Batista, C. D.; Lang, J. C.; Silevitch, D. M.; Srajer, G.; Gaulin, B. D.; Dabkowska, H. A.; Rosenbaum, T. F.

    2016-06-01

    An exact mapping between quantum spins and boson gases provides fresh approaches to the creation of quantum condensates and crystals. Here we report on magnetization measurements on the dimerized quantum magnet SrCu2(BO3)2 at cryogenic temperatures and through a quantum-phase transition that demonstrate the emergence of fractionally filled bosonic crystals in mesoscopic patterns, specified by a sequence of magnetization plateaus. We apply tens of Teslas of magnetic field to tune the density of bosons and gigapascals of hydrostatic pressure to regulate the underlying interactions. Simulations help parse the balance between energy and geometry in the emergent spin superlattices. The magnetic crystallites are the end result of a progression from a direct product of singlet states in each short dimer at zero field to preferred filling fractions of spin-triplet bosons in each dimer at large magnetic field, enriching the known possibilities for collective states in both quantum spin and atomic systems.

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

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    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, without requiring additional fabrication steps or complicated drive schemes. Furthermore, the devices fabricated with this method exhibit a reduced color shift and excellent dynamic stability, even with a high applied voltage and under external pressure.

  8. Giant reversible rotating cryomagnetocaloric effect in KEr (MoO4)2 induced by a crystal-field anisotropy

    NASA Astrophysics Data System (ADS)

    Tkáč, V.; Orendáčová, A.; Čižmár, E.; Orendáč, M.; Feher, A.; Anders, A. G.

    2015-07-01

    Magnetocaloric properties of KEr(MoO4)2 single crystals were investigated using magnetization and specific heat measurements in the magnetic field applied along the easy and hard axis. Large conventional magnetocaloric effect was found around 10 K (-Δ Smax =14 J/kg K for 5 T) in the field applied along the easy axis. What is more, a huge magnetic anisotropy in the a b plane leads to a large anisotropy of magnetocaloric effect, -Δ SR ,max =10 and 13 J/kg K obtained by a simple rotating of the single crystal within the a b plane in the constant magnetic field 2 and 5 T, respectively. Large Δ SR values with no hysteresis losses and rather wide working temperature spans imply that KEr(MoO4)2 may serve as a promising candidate for the implementation of a compact rotary magnetic cryorefrigerator.

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

    NASA Astrophysics Data System (ADS)

    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.

  10. X-ray dynamical diffraction from single crystals with arbitrary shape and strain field: A universal approach to modeling

    NASA Astrophysics Data System (ADS)

    Yan, Hanfei; Li, Li

    2014-01-01

    The effects of dynamical diffraction in single crystals engender many unique diffraction phenomena that cannot be interpreted by the kinematical-diffraction theory, yet knowledge of them is vital to resolving a vast variety of scientific problems ranging from crystal optics to strain measurements in crystalline specimens. Although the fundamental dynamical-diffraction theory was established decades ago, modeling it remains a challenge in a general case wherein the crystal has complex boundaries and mixed diffraction geometries (Bragg or Laue). Here, we propose a universal approach for modeling x-ray dynamical diffraction from a single crystal with arbitrary shape and strain field that is based on the integral representation of the Takagi-Taupin equations. Using it, we can construct the solution iteratively via a converging series, independent of the diffraction geometry. Moreover, the integral equations offer additional insights into the diffraction physics that are not readily apparent in its differential counterparts. To demonstrate this approach, we studied the dynamical diffraction from a slab of single crystal with both Bragg and Laue diffraction excited on the entrance boundaries, a problem that is difficult to model by other methods. We also explored the mirage effect caused by the presence of a linear strain field and compared it to the Eikonal theory. Lastly, we derived a dynamical-diffraction equation correlating the structural properties of a particle to its far-field Bragg-diffraction pattern, shedding light on how dynamical diffraction affects these kinematical-diffraction-based inverse techniques for reconstructing the shape and the strain field.

  11. Toward polarizable AMOEBA thermodynamics at fixed charge efficiency using a dual force field approach: application to organic crystals.

    PubMed

    Nessler, Ian J; Litman, Jacob M; Schnieders, Michael J

    2016-11-09

    First principles prediction of the structure, thermodynamics and solubility of organic molecular crystals, which play a central role in chemical, material, pharmaceutical and engineering sciences, challenges both potential energy functions and sampling methodologies. Here we calculate absolute crystal deposition thermodynamics using a novel dual force field approach whose goal is to maintain the accuracy of advanced multipole force fields (e.g. the polarizable AMOEBA model) while performing more than 95% of the sampling in an inexpensive fixed charge (FC) force field (e.g. OPLS-AA). Absolute crystal sublimation/deposition phase transition free energies were determined using an alchemical path that grows the crystalline state from a vapor reference state based on sampling with the OPLS-AA force field, followed by dual force field thermodynamic corrections to change between FC and AMOEBA resolutions at both end states (we denote the three step path as AMOEBA/FC). Importantly, whereas the phase transition requires on the order of 200 ns of sampling per compound, only 5 ns of sampling was needed for the dual force field thermodynamic corrections to reach a mean statistical uncertainty of 0.05 kcal mol(-1). For five organic compounds, the mean unsigned error between direct use of AMOEBA and the AMOEBA/FC dual force field path was only 0.2 kcal mol(-1) and not statistically significant. Compared to experimental deposition thermodynamics, the mean unsigned error for AMOEBA/FC (1.4 kcal mol(-1)) was more than a factor of two smaller than uncorrected OPLS-AA (3.2 kcal mol(-1)). Overall, the dual force field thermodynamic corrections reduced condensed phase sampling in the expensive force field by a factor of 40, and may prove useful for protein stability or binding thermodynamics in the future.

  12. DC-field-assisted grating formation and nonlinear diffractions in methyl-red dye-doped blue phase liquid crystals.

    PubMed

    Khoo, Iam Choon

    2015-01-01

    We report the observation of enhanced nonlinear optical responses of methyl-red-doped blue-phase liquid crystals by application of a DC field. We have observed strong multi-order nonlinear grating diffractions characterized by a nonlinear index coefficient n(2)∼0.5  cm(2)/W using unfocused CW laser power of ∼1  mW and a DC field of a few V/μm. The underlying mechanisms are crystalline lattice and director axis reorientations by torques exerted by the DC field and photo-excited dye molecules.

  13. Magnetic anisotropy and crystalline electric field effects in RRh{sub 4}B{sub 4} single crystals.

    SciTech Connect

    Zhou, H.; Lambert, S. E.; Maple, M. B.; Dunlap, B. D.; Materials Science Division; Univ. of California at San Diego

    2009-08-01

    Research on polycrystalline RRh{sub 4}B{sub 4} samples has shown that crystalline electric field (CEF) effects play an important role in these compounds. The successful synthesis of single crystal samples of RRh{sub 4}B{sub 4} with R = Y, Sm, Gd, Tb, Dy, Ho, Er, Tm, and Lu has provided an opportunity to further investigate CEF effects in these materials. Magnetization and magnetic susceptibility measurements on the RRh{sub 4}B{sub 4} single crystals revealed strong magnetic anisotropy, and the experimental results could be described well by CEF calculations based on the parameters derived from an analysis of experimental data for ErRh{sub 4}B{sub 4} single crystals. The easy directions of magnetization of these compounds are consistent with the signs of the Stevens factor {alpha}J of the CEF Hamiltonian. A strong influence of magnetic anisotropy on superconductivity was also observed.

  14. Thermal Characterization, Crystal Field Analysis and In-Band Pumped Laser Performance of Er Doped NaY(WO4)2 Disordered Laser Crystals

    PubMed Central

    Serrano, María Dolores; Cascales, Concepción; Han, Xiumei; Zaldo, Carlos; Jezowski, Andrzej; Stachowiak, Piotr; Ter-Gabrielyan, Nikolay; Fromzel, Viktor; Dubinskii, Mark

    2013-01-01

    Undoped and Er-doped NaY(WO4)2 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 Er3+ levels up to 4G7/2 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 4I13/2↔4I15/2 laser related transition have been determined at 77 K. The 4I13/2 Er3+ 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 4I13/2 multiplet at λ≈1500 nm with a broadband (FWHM≈20 nm) diode laser source perfectly matching the 77 K crystal 4I15/2 → 4I13/2 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. PMID:23555664

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

    PubMed

    Serrano, María Dolores; Cascales, Concepción; Han, Xiumei; Zaldo, Carlos; Jezowski, Andrzej; Stachowiak, Piotr; Ter-Gabrielyan, Nikolay; Fromzel, Viktor; Dubinskii, Mark

    2013-01-01

    Undoped and Er-doped NaY(WO4)2 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 (4)G(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 (4)I(13/2)↔(4)I(15/2) laser related transition have been determined at 77 K. The (4)I(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 (4)I(13/2) multiplet at λ≈1500 nm with a broadband (FWHM≈20 nm) diode laser source perfectly matching the 77 K crystal (4)I(15/2) → (4)I(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.

  16. Magnetic properties of a ferrimagnetic mixed (1,3/2) spin chain with inhomogeneous crystal-field anisotropy

    NASA Astrophysics Data System (ADS)

    Solano-Carrillo, E.; Franco, R.; Silva-Valencia, J.

    2010-07-01

    Using molecular-field theory and density-matrix renormalization group calculations we investigated the magnetic properties of a ferrimagnetic mixed (1,3/2) Ising spin chain with inhomogeneous crystal-field anisotropy. Our analysis introduces a clear physical mechanism for the appearance of the magnetic plateaus in the system and for the quantum phase transitions which are present. We consider two cases of interest: when the crystal field anisotropy D1 is present only on the spin-1 ions, and when D is present only on the spin-3/2 ions. This latter case turns out to be the more interesting one since a plateau at {1}/{5} of the saturation magnetization is formed by means of two physically distinct mechanisms. The magnetic change between these two phases is gradual, varying over the region 1/2crystal field anisotropy is present only on the spin-1 ions is favorable since the overall free energy of the system is lower.

  17. Exchange field on the rare earth Sm3+ in a single crystal perovskite SmMnO3

    NASA Astrophysics Data System (ADS)

    Cheng, J.-G.; Zhou, J.-S.; Goodenough, J. B.; Su, Y. T.; Sui, Y.; Ren, Y.

    2011-09-01

    Single crystal SmMnO3 has been grown by the floating-zone method. We have measured the magnetization and specific heat in magnetic fields oriented along three principal crystal axes of precisely oriented single crystals. Below TN of the Mn3+-ion array, the magnetic moments of the Sm3+ ions are progressively oriented antiparellel to the weak canted-spin ferromagnetic moment of the antiferromagnetic (AF) Mn3+-ion array due to an internal exchange field Hin ∥ c. On cooling through a compensation temperature Tcomp ≈ 9 K, the dominant moment parallel to c changes from the canted-spin Mn3+ ions to the Sm3+ moments. A spin reversal in an Hc ≥ 1 T changes the magnetic field splitting of the Kramers doublet on the Sm3+ ions from Hin - Hc to Hin + Hc, where Hc is a field applied along the c axis. This change, monitored by the Schottky contribution to the specific heat, creates an abrupt change at Tt = Tcomp ± δ. We have found no evidence that the transition at Tt is first-order despite its abrupt nature.

  18. Effect of crystal-field splitting and interband hybridization on the metal-insulator transitions of strongly correlated systems

    NASA Astrophysics Data System (ADS)

    Poteryaev, Alexander I.; Ferrero, Michel; Georges, Antoine; Parcollet, Olivier

    2008-07-01

    We investigate a quarter-filled two-band Hubbard model involving a crystal-field splitting, which lifts the orbital degeneracy as well as an interorbital hopping (interband hybridization). Both terms are relevant to the realistic description of correlated materials such as transition-metal oxides. The nature of the Mott metal-insulator transition is clarified and is found to depend on the magnitude of the crystal-field splitting. At large values of the splitting, a transition from a two-band to a one-band metal is first found as the on-site repulsion is increased and is followed by a Mott transition for the remaining band, which follows the single-band (Brinkman-Rice) scenario well documented previously within dynamical mean-field theory. At small values of the crystal-field splitting, a direct transition from a two-band metal to a Mott insulator with partial orbital polarization is found, which takes place simultaneously for both orbitals. This transition is characterized by a vanishing of the quasiparticle weight for the majority orbital but has a first-order character for the minority orbital. It is pointed out that finite-temperature effects may easily turn the metallic regime into a bad metal close to the orbital polarization transition in the metallic phase.

  19. Doping-driven orbital-selective Mott transition in multi-band Hubbard models with crystal field splitting

    NASA Astrophysics Data System (ADS)

    Yilin, Wang; Li, Huang; Liang, Du; Xi, Dai

    2016-03-01

    We have studied the doping-driven orbital-selective Mott transition in multi-band Hubbard models with equal band width in the presence of crystal field splitting. Crystal field splitting lifts one of the bands while leaving the others degenerate. We use single-site dynamical mean-field theory combined with continuous time quantum Monte Carlo impurity solver to calculate a phase diagram as a function of total electron filling N and crystal field splitting Δ. We find a large region of orbital-selective Mott phase in the phase diagram when the doping is large enough. Further analysis indicates that the large region of orbital-selective Mott phase is driven and stabilized by doping. Such models may account for the orbital-selective Mott transition in some doped realistic strongly correlated materials. Project supported by the National Natural Science Foundation of China (Grant No. 2011CBA00108) and the National Basic Research Program of China (Grant No. 2013CB921700).

  20. Analysis of the effect of symmetric/asymmetric CUSP magnetic fields on melt/crystal interface during Czochralski silicon growth

    NASA Astrophysics Data System (ADS)

    Daggolu, Parthiv; Ryu, Jae Woo; Galyukov, Alex; Kondratyev, Alexey

    2016-10-01

    With the use of 300 mm silicon wafers for industrial semiconductor device manufacturing, the Czochralski (Cz) crystal growth process has to be optimized to achieve higher quality and productivity. Numerical studies based on 2D global thermal models combined with 3D simulation of melt convection are widely used today to save time and money in the process development. Melt convection in large scale Cz Si growth is controlled by a CUSP or transversal magnetic field (MF) to suppress the melt turbulence. MF can be optimized to meet necessary characteristics of the growing crystal, in terms of point defects, as MF affects the melt/crystal interface geometry and allows adjustment of the pulling rate. Among the different knobs associated with the CUSP magnetic field, the nature of its configuration, going from symmetric to asymmetric, is also reported to be an important tool for the control of crystallization front. Using a 3D unsteady model of the CGSim software, we have studied these effects and compared with several experimental results. In addition, physical mechanisms behind these observations are explored through a detailed modeling analysis of the effect of an asymmetric CUSP MF on convection features governing the heat transport in the silicon melt.

  1. Electric field induced structural colour tuning of a silver/titanium dioxide nanoparticle one-dimensional photonic crystal.

    PubMed

    Aluicio-Sarduy, Eduardo; Callegari, Simone; Figueroa Del Valle, Diana Gisell; Desii, Andrea; Kriegel, Ilka; Scotognella, Francesco

    2016-01-01

    An electric field is employed for the active tuning of the structural colour in photonic crystals, which acts as an effective external stimulus with an impact on light transmission manipulation. In this work, we demonstrate structural colour in a photonic crystal device comprised of alternating layers of silver nanoparticles and titanium dioxide nanoparticles, exhibiting spectral shifts of around 10 nm for an applied voltage of only 10 V. The accumulation of charge at the metal/dielectric interface with an applied electric field leads to an effective increase of the charges contributing to the plasma frequency in silver. This initiates a blue shift of the silver plasmon band with a simultaneous blue shift of the photonic band gap as a result of the change in the silver dielectric function (i.e. decrease of the effective refractive index). These results are the first demonstration of active colour tuning in silver/titanium dioxide nanoparticle-based photonic crystals and open the route to metal/dielectric-based photonic crystals as electro-optic switches.

  2. Electric field induced structural colour tuning of a silver/titanium dioxide nanoparticle one-dimensional photonic crystal

    PubMed Central

    Aluicio-Sarduy, Eduardo; Callegari, Simone; Figueroa del Valle, Diana Gisell; Desii, Andrea; Kriegel, Ilka

    2016-01-01

    Summary An electric field is employed for the active tuning of the structural colour in photonic crystals, which acts as an effective external stimulus with an impact on light transmission manipulation. In this work, we demonstrate structural colour in a photonic crystal device comprised of alternating layers of silver nanoparticles and titanium dioxide nanoparticles, exhibiting spectral shifts of around 10 nm for an applied voltage of only 10 V. The accumulation of charge at the metal/dielectric interface with an applied electric field leads to an effective increase of the charges contributing to the plasma frequency in silver. This initiates a blue shift of the silver plasmon band with a simultaneous blue shift of the photonic band gap as a result of the change in the silver dielectric function (i.e. decrease of the effective refractive index). These results are the first demonstration of active colour tuning in silver/titanium dioxide nanoparticle-based photonic crystals and open the route to metal/dielectric-based photonic crystals as electro-optic switches. PMID:27826514

  3. Path length tunable light-matter interaction in magnetic nanofluid based field-induced photonic crystal-glass structure

    NASA Astrophysics Data System (ADS)

    Laskar, Junaid M.; Raj, Baldev; Philip, John

    2016-10-01

    The ability to control the light-matter interaction and the simultaneous tuning of both the structural order and disorder in materials, although important in photonics, remain major challenges. In this paper, we demonstrate that path length dictates light-matter interaction for the same crystal structure, formed by the ordering of magnetic nanoparticle self-assembled columns inside magnetic nanofluid under applied field. When the path length is shorter (L=80 μ {{m}}), the condition for maintaining temporal coherence for the constructive interference is therefore satisfied, resulting in the formation of a concentric diffraction ring pattern; while for a longer path length (L=1 {{mm}}), only a corona ring of scattered light is observed. Analysis of diffraction ring pattern suggests the formation of 3D hexagonal crystal structure, where the longitudinal and lateral inter-column spacings are 5.281 μm and 7.344 μm, respectively. Observation of speckles and diffuse scattering background within the diffraction ring pattern confirms the presence of certain degree of crystal disorder, which can be tuned by controlling the applied field strength, nanoparticle size and particle volume fraction. Our results provide a new approach to develop next generation of tunable photonic devices, e.g. tunable random laser, based on simultaneous harnessing of the properties of disordered photonic glass and 3D photonic crystal.

  4. Dependence of Pentacene Crystal Growth on Dielectric Roughness for Fabrication of Flexible Field-Effect Transistors

    SciTech Connect

    Yang, H.; Yang, C; Kim, S; Jang, M; Park, C

    2010-01-01

    The dependence of pentacene nanostructures on gate dielectric surfaces were investigated for flexible organic field-effect transistor (OFET) applications. Two bilayer types of polymer/aluminum oxide (Al{sub 2}O{sub 3}) gate dielectrics were fabricated on commercial Al foils laminated onto a polymer back plate. Some Al foils were directly used as gate electrodes, and others were smoothly polished by an electrolytic etching. These Al surfaces were then anodized and coated with poly({alpha}-methyl styrene) (PAMS). For PAMS/Al{sub 2}O{sub 3} dielectrics onto etched Al foils, surface roughness up to 1 nm could be reached, although isolated dimples with a lateral diameter of several micrometers were still present. On PAMS/Al{sub 2}O{sub 3} dielectrics (surface roughness >40 nm) containing mechanical grooves of Al foil, average hole mobility ({mu}FET) of 50 nm thick pentacene-FETs under the low operating voltages (|V| < 6 V) was {approx}0.15 cm{sup 2} V{sup -1} s{sup -1}. In contrast, pentacene-FETs employing the etched Al gates exhibited {mu}FET of 0.39 cm{sup 2} V{sup -1} s{sup -1}, which was comparable to that of reference samples with PAMS/Al{sub 2}O{sub 3} dielectrics onto flat sputtered Al gates. Conducting-probe atomic force microscopy and two-dimensional X-ray diffraction of pentacene films with various thicknesses revealed different out-of-plane and in-plane crystal orderings of pentacene, depending on the surface roughness of the gate dielectrics.

  5. Touch sensors based on planar liquid crystal-gated-organic field-effect transistors

    SciTech Connect

    Seo, Jooyeok; Lee, Chulyeon; Han, Hyemi; Lee, Sooyong; Nam, Sungho; Kim, Youngkyoo; Kim, Hwajeong; Lee, Joon-Hyung; Park, Soo-Young; Kang, Inn-Kyu

    2014-09-15

    We report a tactile touch sensor based on a planar liquid crystal-gated-organic field-effect transistor (LC-g-OFET) structure. The LC-g-OFET touch sensors were fabricated by forming the 10 μm thick LC layer (4-cyano-4{sup ′}-pentylbiphenyl - 5CB) on top of the 50 nm thick channel layer (poly(3-hexylthiophene) - P3HT) that is coated on the in-plane aligned drain/source/gate electrodes (indium-tin oxide - ITO). As an external physical stimulation to examine the tactile touch performance, a weak nitrogen flow (83.3 μl/s) was employed to stimulate the LC layer of the touch device. The LC-g-OFET device exhibited p-type transistor characteristics with a hole mobility of 1.5 cm{sup 2}/Vs, but no sensing current by the nitrogen flow touch was measured at sufficiently high drain (V{sub D}) and gate (V{sub G}) voltages. However, a clear sensing current signal was detected at lower voltages, which was quite sensitive to the combination of V{sub D} and V{sub G}. The best voltage combination was V{sub D} = −0.2 V and V{sub G} = −1 V for the highest ratio of signal currents to base currents (i.e., signal-to-noise ratio). The change in the LC alignment upon the nitrogen flow touch was assigned as the mechanism for the present LC-g-OFET touch sensors.

  6. Growth of K(Cl, Br) crystals from aqueous solutions in an X-ray field

    SciTech Connect

    Anishchik, V. M.; Val'ko, N. G. Voina, V. V.; Vorontsov, A. S.

    2008-07-15

    The influence of X-rays of different wavelength on the degree of structural quality of K(Cl, Br) crystals of mixed composition grown from aqueous solutions is considered. It is found by the methods of chemical etching, X-ray analysis, pycnometric density, and atomic-force microscopy that X-ray irradiation leads to the formation of crystals with a more perfect substructure and surface morphology and a decrease of the dislocation density and concentration of pores and cavities containing the mother liquor. It is shown that X-ray irradiation can promote preferential incorporation of less electronegative components into the crystal lattice of a solid solution.

  7. Hydrogen-deuterium exchange induced by an electric field in α-Al2O3 single crystals

    NASA Astrophysics Data System (ADS)

    Ramírez, R.; Colera, I.; Gonz&Ález, R.; Savoini, B.; Chen, Y.

    Hydrogen and deuterium are observed in α-Al2O3 crystals in the form of OH- and OD- radicals, respectively, which absorb in the infrared region. Infrared-absorption measurements were used to monitor diffusion of deuterons and protons in α-Al2O3 single crystals under the application of a moderate electric field parallel to the crystallographic c-axis, in the temperature range of 973-1333K. A linear dependence of the percent of exchange with both annealing time and applied voltage is observed, indicating that ionic conduction was taking place. The activation energy for the H+ ↔; D+ exchange was determined to be 2.4 eV, less than half the value obtained by pure thermal means, suggesting that under the application of an electric field the deuteron (proton) diffusion mechanism is different.

  8. Spatial inhomogeneity in RFeAs(O,F)(R = Pr, Nd) determined from rare earth crystal field excitations.

    SciTech Connect

    Goremychkin, E. A.; Osborn, R.; Wang, C. H.; Lumsden, M. D.; McGuire, M. A.; Sefat, A. S.; Sales, B. C.; Mandrus, D.; Ronnow, H. M.; Su, Y.; Christianson, A. D.

    2011-06-27

    We report inelastic neutron-scattering measurements of crystal-field transitions in PrFeAsO, PrFeAsO{sub 0.87}F{sub 0.13}, and NdFeAsO{sub 0.85}F{sub 0.15}. Doping with fluorine produces additional crystal-field excitations, providing evidence that there are two distinct charge environments around the rare-earth ions, with probabilities that are consistent with a random distribution of dopants on the oxygen sites. The 4f electrons of the Pr{sup 3+} and Nd{sup 3+} ions have nonmagnetic and magnetic ground states, respectively, indicating that the enhancement of T{sub c} compared to LaFeAsO{sub 1-x}F{sub x} is not due to rare-earth magnetism.

  9. Reversed Crystal-Field Splitting and Spin-Orbital Ordering in α-Sr2CrO4

    NASA Astrophysics Data System (ADS)

    Ishikawa, Takashi; Toriyama, Tatsuya; Konishi, Takehisa; Sakurai, Hiroya; Ohta, Yukinori

    2017-03-01

    The origin of successive phase transitions observed in the layered perovskite α-Sr2CrO4 is studied by the density-functional-theory-based electronic structure calculation and mean-field analysis of the proposed low-energy effective model. We find that, despite the fact that the CrO6 octahedron is elongated along the c-axis of the crystal structure, the crystal-field level of nondegenerate 3dxy orbitals of the Cr ion is lower in energy than that of doubly degenerate 3dyz and 3dxz orbitals, giving rise to the orbital degrees of freedom in the system with a 3d2 electron configuration. We show that the higher (lower) temperature phase transition is caused by the ordering of the orbital (spin) degrees of freedom.

  10. Metastable Copper-Phthalocyanine Single-Crystal Nanowires and Their Use in Fabricating High-Performance Field-Effect Transistors

    SciTech Connect

    Xiao, Kai; Li, Rongjin; Tao, Jing; Payzant, E Andrew; Ivanov, Ilia N; Puretzky, Alexander A; Hu, Wenping; Geohegan, David B

    2009-01-01

    This paper describes a simple, vapor-phase route to the synthesis of metastable α-phase copper-phthalocyanine (CuPc) single-crystal nanowires through control of the growth temperature. The influence of the growth temperature on the crystal structures, morphology, and size of the CuPc nanostructures was explored by XRD, optical absorption and Transmission Electron Microscopy (TEM). α-CuPc nanowires were successfully incorporated as active semiconductors in field-effect transistors (FETs). Single nanowire devices exhibited the carrier mobilities and current on/off ratios as high as 0.4 cm2/Vs and > 104, respectively, rendering them useful for organic photovoltaic cells, organic light-emitting diodes, field-effect transistors, memories and gas sensors

  11. 4D STUDY OF STRAIN GRADIENTS EVOLUTION IN TWINNED NiMnGa SINGLE CRYSTALS UNDER MAGNETIC FIELD

    SciTech Connect

    Barabash, Rozaliya; Xu, Ruqing; Barabash, Oleg M; Sozinov, Alexei

    2014-01-01

    Time-resolved 3D X-ray microscopy with a submicron beam size was used to follow the evolution of strains in off-stoichiometric NiMnGa twinned crystals near type I (hard) twin boundary under magnetic field. Laminate A/B microstructure was revealed near the twin boundaries in A variant. Large strain gradients are observed in the C variant in the immediate vicinity of the type I twin boundary: the lattice is under large tensile strains ~0.4% along the c- axes within first micron. Distinct a and b lattice parameter evolution with temperature and magnetic field is demonstrated. In an applied magnetic field the strain field was observed at larger distances from the twin boundary and becomes more complex. Stochastic twin boundary motion was observed after the magnetic field reaches a certain critical value.

  12. Tuning the band structures of a one-dimensional width-modulated magnonic crystal by a transverse magnetic field

    SciTech Connect

    Di, K.; Lim, H. S. Zhang, V. L.; Ng, S. C.; Kuok, M. H.; Nguyen, H. T.; Cottam, M. G.

    2014-02-07

    Theoretical studies, based on three independent techniques, of the band structure of a one-dimensional width-modulated magnonic crystal under a transverse magnetic field are reported. The band diagram is found to display distinct behaviors when the transverse field is either larger or smaller than a critical value. The widths and center positions of bandgaps exhibit unusual non-monotonic and large field-tunability through tilting the direction of magnetization. Some bandgaps can be dynamically switched on and off by simply tuning the strength of such a static field. Finally, the impact of the lowered symmetry of the magnetic ground state on the spin-wave excitation efficiency of an oscillating magnetic field is discussed. Our finding reveals that the magnetization direction plays an important role in tailoring magnonic band structures and hence in the design of dynamic spin-wave switches.

  13. Influence of the magnetic and laser fields on the director structures of a ferrocholesteric liquid crystal in homeotropic cells

    NASA Astrophysics Data System (ADS)

    Petrescu, Emil; Bena, Eleonora-Rodica

    We study the influence of the magnetic and laser fields on the director structures of a ferrocholesteric liquid crystal in homeotropic cells. Using the analytical method based on the Euler-Lagrange equations, we find a correlation between the fields intensities and the confinement ratio r=d/p, ( d is the cell thickness and p is the cholesteric pitch) at the limit of the transition from the homeotropic alignment to the translationally invariant configuration (TIC) with uniform in plane twist. We discuss this correlation as a function of the sign of the magnetic and dielectric anisotropies. If both anisotropies are positive and the magnetic field and the laser beam are perpendicular to the cell walls, the magnetic field preserves the homeotropic alignment while the laser beam pushes the system towards the TIC. The control parameters of the transition are the laser beam intensity and the confinement ratio. If the magnetic anisotropy is negative and the dielectric one is positive both fields concur in driving the system towards the TIC. The spinodal surface separating the metastable homeotropic configuration from the instable TIC is an ellipsoid whose halfaxes are smaller that in the case of a pure liquid crystal by a factor depending on the material constants and the cell thickness. We find also the total twist angle across the sample witch can be varied between a lower and an upper limit by changing the light intensity or the magnetic field strength. Our results can be useful in designing magneto-optical devices.

  14. Simulations of a protein crystal with a high resolution X-ray structure: evaluation of force fields and water models.

    PubMed

    Cerutti, David S; Freddolino, Peter L; Duke, Robert E; Case, David A

    2010-10-14

    We use classical molecular dynamics and 16 combinations of force fields and water models to simulate a protein crystal observed by room-temperature X-ray diffraction. The high resolution of the diffraction data (0.96 Å) and the simplicity of the crystallization solution (nearly pure water) make it possible to attribute any inconsistencies between the crystal structure and our simulations to artifacts of the models rather than inadequate representation of the crystal environment or uncertainty in the experiment. All simulations were extended for 100 ns of production dynamics, permitting some long-time scale artifacts of each model to emerge. The most noticeable effect of these artifacts is a model-dependent drift in the unit cell dimensions, which can become as large as 5% in certain force fields; the underlying cause is the replacement of native crystallographic contacts with non-native ones, which can occur with heterogeneity (loss of crystallographic symmetry) in simulations with some force fields. We find that the AMBER FF99SB force field maintains a lattice structure nearest that seen in the X-ray data, and produces the most realistic atomic fluctuations (by comparison to crystallographic B-factors) of all the models tested. We find that the choice of water model has a minor effect in comparison to the choice of protein model. We also identify a number of artifacts that occur throughout all of the simulations: excessive formation of hydrogen bonds or salt bridges between polar groups and loss of hydrophobic interactions. This study is intended as a foundation for future work that will identify individual parameters in each molecular model that can be modified to improve their representations of protein structure and thermodynamics.

  15. Synthesis and field emission behaviour of well faceted In{sub 2}Se{sub 3} micro-crystals

    SciTech Connect

    Kolhe, Panakj S.; Suryawanshi, Sachin R.; More, Mahendra A.; Shisode, Raju T.

    2015-06-24

    Here in, we report synthesis of crystalline Indium Selenide (In{sub 2}Se{sub 3}) elegant microcrystals on Au coated Si substrates using one-step facile thermal evaporation route and their field emission investigations. The as-synthesized In{sub 2}Se{sub 3} micro-crystals were subjected to structural and morphological analysis prior to the field emission studies. The XRD spectrum of the as-synthesized product reveals formation of crystalline hexagonal phase of In{sub 2}Se{sub 3} under the prevailing experimental conditions. Under optimized process variables, the morphology of the as-synthesized product is characterized by presence of well facetted micron size particles of In2Se3. Furthermore, the EDAX analysis confirms the presence of In and Se in the as-synthesized sample. The field emission characteristic of the In{sub 2}Se{sub 3} micro-crystal emitter is found to be superior to the other metal chalcogenides micro-crystal based emitters. The synthesized In{sub 2}Se{sub 3} micro-crystals emitter delivers current density of ∼ 225 µA/cm{sup 2} at an applied electric field of ∼ 7.44 V/µm. The emission current stability investigated at pre-set value of ∼ 3 µA is observed to be fairly good. These observed results demonstrate potential of the In{sub 2}Se{sub 3} cathode as an electron source for practical applications in vacuum microelectronic devices.

  16. Near-Field Orientation Sensitive Terahertz Micro-Spectroscopy of Single Crystals

    NASA Astrophysics Data System (ADS)

    Acbas, Gheorghe; Singh, Rohit; Snell, Edward; Markelz, Andrea

    2012-02-01

    We present spectroscopic imaging studies of molecular crystals. These measurements examine the anisotropy of the intra and inter-molecular vibrational modes of single crystals at terahertz frequencies. The method is based on the technique developed in [1-2] for sub-wavelength resolution time domain terahertz spectroscopy (THz TDS), with added polarization orientation dependent measurements and hydration control. This method allows us to study the spectroscopic properties of small single crystals with sizes down to 20 micrometers. In addition, mapping the spectroscopic information at such small spatial scales allows us to reduce the water absorption and interference artifacts that usually affect protein THz TDS measurements. We show the polarization sensitive terahertz absorption spectra in the (0.3-3THz) range of sucrose, oxalic acid and lysozyme protein crystals. *M. A. Seo, et. al., Opt. Express, 15(19):11781--11789, 09 (2007) *J. R Knab, et. al., App. Phys. Lett.,97, 031115 (2010)

  17. Crystal Plasticity Modeling of Microstructure Evolution and Mechanical Fields During Processing of Metals Using Spectral Databases

    NASA Astrophysics Data System (ADS)

    Knezevic, Marko; Kalidindi, Surya R.

    2017-02-01

    This article reviews the advances made in the development and implementation of a novel approach to speeding up crystal plasticity simulations of metal processing by one to three orders of magnitude when compared with the conventional approaches, depending on the specific details of implementation. This is mainly accomplished through the use of spectral crystal plasticity (SCP) databases grounded in the compact representation of the functions central to crystal plasticity computations. A key benefit of the databases is that they allow for a noniterative retrieval of constitutive solutions for any arbitrary plastic stretching tensor (i.e., deformation mode) imposed on a crystal of arbitrary orientation. The article emphasizes the latest developments in terms of embedding SCP databases within implicit finite elements. To illustrate the potential of these novel implementations, the results from several process modeling applications including equichannel angular extrusion and rolling are presented and compared with experimental measurements and predictions from other models.

  18. Crystal field disorder effects in the optical spectra of Nd{sup 3+} and Yb{sup 3+}-doped calcium lithium niobium gallium garnets laser crystals and ceramics

    SciTech Connect

    Lupei, V.; Lupei, A.; Gheorghe, C.; Gheorghe, L.; Achim, A.; Ikesue, A.

    2012-09-15

    The optical spectroscopic properties of RE{sup 3+} (Nd, 1 at. % or Yb, 1 to 10 at. %)-doped calcium-lithium-niobium-gallium garnet (CLNGG) single crystals and ceramics in the 10 K-300 K range are analyzed. In these compositionally disordered materials, RE{sup 3+} substitute Ca{sup 2+} in dodecahedral sites and the charge compensation is accomplished by adjusting the proportion of Li{sup +}, Nb{sup 5+}, and Ga{sup 3+} to the doping concentration. The crystals and ceramics show similar optical spectra, with broad and structured (especially at low temperatures) bands whose shape depends on temperature and doping concentration. At 10 K, the Nd{sup 3+4}I{sub 9/2}{yields}{sup 4}F{sub 3/2,5/2} and Yb{sup 3+2}F{sub 7/2}{yields}{sup 2}F{sub 5/2} absorption bands, which show prospect for diode laser pumping, can be decomposed in several lines that can be attributed to centers with large differences in the crystal field. The positions of these components are the same, but the relative intensity depends on the doping concentration and two main centers dominate the spectra. Non-selective excitation evidences broad emission bands, of prospect for short-pulse laser emission, whereas the selective excitation reveals the particular emission spectra of the various centers. The modeling reveals that the nonequivalent centers correspond to RE{sup 3+} ions with different cationic combinations in the nearest octahedral and tetrahedral coordination spheres, and the most abundant two centers have 4Nb and, respectively, 3Nb1Li in the nearest octahedral sphere. At 300 K, the spectral resolution is lost. It is then inferred that the observed optical bands are envelopes of the spectra of various structural centers, whose resolution is determined by the relative contribution of the temperature-dependent homogeneous broadening and the effects of crystal field disordering (multicenter structure, inhomogeneous broadening). The relevance of spectroscopic properties for selection of pumping

  19. Effect of Magnetic Fields on g-jitter Induced Convection and Solute Striation During Space Processing of Single Crystals

    NASA Technical Reports Server (NTRS)

    deGroh, H. C.; Li, K.; Li, B. Q.

    2002-01-01

    A 2-D finite element model is presented for the melt growth of single crystals in a microgravity environment with a superimposed DC magnetic field. The model is developed based on the deforming finite element methodology and is capable of predicting the phenomena of the steady and transient convective flows, heat transfer, solute distribution, and solid-liquid interface morphology associated with the melt growth of single crystals in microgravity with and without an applied magnetic field. Numerical simulations were carried out for a wide range of parameters including idealized microgravity conditions, the synthesized g-jitter and the real g-jitter data taken by on-board accelerometers during space flights. The results reveal that the time varying g-jitter disturbances, although small in magnitude, cause an appreciable convective flow in the liquid pool, which in turn produces detrimental effects during the space processing of single crystal growth. An applied magnetic field of appropriate strength, superimposed on microgravity, can be very effective in suppressing the deleterious effects resulting from the g-jitter disturbances.

  20. Critical behavior of the spin-1 and spin-3/2 Baxter-Wu model in a crystal field.

    PubMed

    Dias, D A; Xavier, J C; Plascak, J A

    2017-01-01

    The phase diagram and the critical behavior of the spin-1 and the spin-3/2 two-dimensional Baxter-Wu model in a crystal field are studied by conventional finite-size scaling and conformal invariance theory. The phase diagram of this model, for the spin-1 case, is qualitatively the same as those of the diluted 4-states Potts model and the spin-1 Blume-Capel model. However, for the present case, instead of a tricritical point one has a pentacritical point for a finite value of the crystal field, in disagreement with previous work based on finite-size calculations. On the other hand, for the spin-3/2 case, the phase diagram is much richer and can present, besides a pentacritical point, an additional multicritical end point. Our results also support that the universality class of the critical behavior of the spin-1 and spin-3/2 Baxter-Wu model in a crystal field is the same as the pure Baxter-Wu model, even at the multicritical points.

  1. Dynamically tuning the optical properties of Europium-doped sodium niobate nano-crystals through magnetic field

    NASA Astrophysics Data System (ADS)

    Xiao, Quanlan; Zhang, Yuanhao; Zhang, Junpei; Zhang, Han; Dong, Guoping; Han, Junbo; Qiu, Jianrong

    2016-11-01

    We have fabricated high quality NaNbO3:Eu3+ nano-crystals based on the Pechini sol-gel method and realized its magneto-optical effect under external pulsed magnetic field. Our results show that magnetic field can induce the suppression of luminescence, the splitting of peaks, and shifting of peak locations due to the expansion of electric dipole emission in Europium ions, and further demonstrate that the magnetic dipole emission plays an insignificant role in effect on the magnetic dipole emission for Eu3+:5 D 0 → 7 F 1, 5 D 0 → 7 F 3 transitions in NaNbO3:Eu3+ nano-crystals. These magnetic-optical interactions are attributed to the results of the Zeeman effect by high magnetic field that could result in the change of the symmetry of Eu3+ ions, and there is different sensitivity to changes of symmetry for Eu3+:5 D 0 → 7 F J (J = 1-4) transitions in NaNbO3 nano-crystals. This work might provide a viable magneto-optical approach in tuning the optical properties (luminescence intensity, peak location, profile, etc) of the rare-earth ions doped nano-particles.

  2. Comparison of dislocation density tensor fields derived from discrete dislocation dynamics and crystal plasticity simulations of torsion

    SciTech Connect

    Jones, Reese E.; Zimmerman, Jonathan A.; Po, Giacomo; Mandadapu, Kranthi

    2016-02-01

    Accurate simulation of the plastic deformation of ductile metals is important to the design of structures and components to performance and failure criteria. Many techniques exist that address the length scales relevant to deformation processes, including dislocation dynamics (DD), which models the interaction and evolution of discrete dislocation line segments, and crystal plasticity (CP), which incorporates the crystalline nature and restricted motion of dislocations into a higher scale continuous field framework. While these two methods are conceptually related, there have been only nominal efforts focused at the global material response that use DD-generated information to enhance the fidelity of CP models. To ascertain to what degree the predictions of CP are consistent with those of DD, we compare their global and microstructural response in a number of deformation modes. After using nominally homogeneous compression and shear deformation dislocation dynamics simulations to calibrate crystal plasticity ow rule parameters, we compare not only the system-level stress-strain response of prismatic wires in torsion but also the resulting geometrically necessary dislocation density fields. To establish a connection between explicit description of dislocations and the continuum assumed with crystal plasticity simulations we ascertain the minimum length-scale at which meaningful dislocation density fields appear. Furthermore, our results show that, for the case of torsion, that the two material models can produce comparable spatial dislocation density distributions.

  3. Comparison of dislocation density tensor fields derived from discrete dislocation dynamics and crystal plasticity simulations of torsion

    DOE PAGES

    Jones, Reese E.; Zimmerman, Jonathan A.; Po, Giacomo; ...

    2016-02-01

    Accurate simulation of the plastic deformation of ductile metals is important to the design of structures and components to performance and failure criteria. Many techniques exist that address the length scales relevant to deformation processes, including dislocation dynamics (DD), which models the interaction and evolution of discrete dislocation line segments, and crystal plasticity (CP), which incorporates the crystalline nature and restricted motion of dislocations into a higher scale continuous field framework. While these two methods are conceptually related, there have been only nominal efforts focused at the global material response that use DD-generated information to enhance the fidelity of CPmore » models. To ascertain to what degree the predictions of CP are consistent with those of DD, we compare their global and microstructural response in a number of deformation modes. After using nominally homogeneous compression and shear deformation dislocation dynamics simulations to calibrate crystal plasticity ow rule parameters, we compare not only the system-level stress-strain response of prismatic wires in torsion but also the resulting geometrically necessary dislocation density fields. To establish a connection between explicit description of dislocations and the continuum assumed with crystal plasticity simulations we ascertain the minimum length-scale at which meaningful dislocation density fields appear. Furthermore, our results show that, for the case of torsion, that the two material models can produce comparable spatial dislocation density distributions.« less

  4. Critical behavior of the spin-1 and spin-3/2 Baxter-Wu model in a crystal field

    NASA Astrophysics Data System (ADS)

    Dias, D. A.; Xavier, J. C.; Plascak, J. A.

    2017-01-01

    The phase diagram and the critical behavior of the spin-1 and the spin-3/2 two-dimensional Baxter-Wu model in a crystal field are studied by conventional finite-size scaling and conformal invariance theory. The phase diagram of this model, for the spin-1 case, is qualitatively the same as those of the diluted 4-states Potts model and the spin-1 Blume-Capel model. However, for the present case, instead of a tricritical point one has a pentacritical point for a finite value of the crystal field, in disagreement with previous work based on finite-size calculations. On the other hand, for the spin-3/2 case, the phase diagram is much richer and can present, besides a pentacritical point, an additional multicritical end point. Our results also support that the universality class of the critical behavior of the spin-1 and spin-3/2 Baxter-Wu model in a crystal field is the same as the pure Baxter-Wu model, even at the multicritical points.

  5. Anisotropy of the upper critical fields and the paramagnetic Meissner effect in La1.85Sr0.15CuO4 single crystals

    NASA Astrophysics Data System (ADS)

    Felner, I.; Tsindlekht, M. I.; Drachuck, G.; Keren, A.

    2013-02-01

    Optimally doped La1.85Sr0.15CuO4 single crystals have been investigated by dc and ac magnetic measurements. These crystals have rectangular needle-like shapes with the long needle axis parallel to the crystallographic c axis (c-crystal) or parallel to the basal planes (a-crystal). In both crystals, the temperature dependence of the upper critical fields (HC2) and the surface critical field (HC3) were measured. The H-T phase diagram is presented. Close to TC = 35 K, for the c-crystal, {\\boldsymbol{\\gamma}}^{c}={H}_{{C3}}^{c}/{H}_{{C2}}^{c}=1.8 0(2), whereas for the a-crystal the {\\boldsymbol{\\gamma}}^{a}={H}_{{C3}}^{a}/{H}_{{C2}}^{a}=4.0(2) obtained is much higher than 1.69, predicted by the ideal mathematical model. At low applied dc fields, positive field-cooled branches known as the ‘paramagnetic Meissner effect’ (PME) are observed; their magnitude is inversely proportional to H. The anisotropic PME is observed in both a- and c-crystals, only when the applied field is along the basal planes. It is speculated that the high γa and the PME are connected to each other.

  6. Investigation of Three-Dimensional Stress Fields and Slip Systems for FCC Single Crystal Superalloy Notched Specimens

    NASA Technical Reports Server (NTRS)

    Arakere, Nagaraj K.; Magnan, Shannon; Ebrahimi, Fereshteh; Ferroro, Luis

    2004-01-01

    Metals and their alloys, except for a few intermetallics, are inherently ductile, i.e. plastic deformation precedes fracture in these materials. Therefore, resistance to fracture is directly related to the development of the plastic zone at the crack tip. Recent studies indicate that the fracture toughness of single crystals depends on the crystallographic orientation of the notch as well as the loading direction. In general, the dependence of crack propagation resistance on crystallographic orientation arises from the anisotropy of (i) elastic constants, (ii) plastic deformation (or slip), and (iii) the weakest fracture planes (e.g. cleavage planes). Because of the triaxial stress state at the notch tips, many slip systems that otherwise would not be activated during uniaxial testing, become operational. The plastic zone formation in single crystals has been tackled theoretically by Rice and his co-workers and only limited experimental work has been conducted in this area. The study of the stresses and strains in the vicinity of a FCC single crystal notch tip is of relatively recent origin. We present experimental and numerical investigation of 3D stress fields and evolution of slip sector boundaries near notches in FCC single crystal tension test specimens, and demonstrate that a 3D linear elastic finite element model that includes the effect of material anisotropy is shown to predict active slip planes and sectors accurately. The slip sector boundaries are shown to have complex curved shapes with several slip systems active simultaneously near the notch. Results are presented for surface and mid-plane of the specimens. The results demonstrate that accounting for 3D elastic anisotropy is very important for accurate prediction of slip activation near FCC single crystal notches loaded in tension. Results from the study will help establish guidelines for fatigue damage near single crystal notches.

  7. Realization of Field Sequential Color in Simple Matrix Antiferroelectric Liquid Crystal Displays by Utilizing Fast Pretransitional Response

    NASA Astrophysics Data System (ADS)

    Suzuki, Yasushi; Chen, Guo-Ping; Manna, Uttam; Vij, Jagdish K.; Fukuda, Atsuo

    2009-07-01

    Simple matrix antiferroelectric liquid crystal displays (SM-AFLCDs) are prototyped to realize field sequential color (FSC) by utilizing the fast pretransitional response. The developed FSC-SM-AFLCDs will lead to the replacement of existing static driven FSC-SM-nematic-LCDs. Bright and clear color can be given to already market-acquired, black-and-white SM-LCDs of up to 1/64-duty and 3-in. diagonal size. To optimize the display performance, we analyze two important factors, the large pretransitional effect and the appropriate reset pulse, in terms of the interlayer interaction potential used in describing the field-induced transition of the antiferroelectric smectic phase.

  8. Phase alignment and crystal orientation of Al 3Ni in Al-Ni alloy by imposition of a uniform high magnetic field

    NASA Astrophysics Data System (ADS)

    Wang, Chunjiang; Wang, Qiang; Wang, Zhongying; Li, Hutian; Nakajima, Keiji; He, Jicheng

    2008-03-01

    Solidification experiments of aluminum-nickel binary alloys under uniform high magnetic fields have been conducted. The effects of high magnetic fields on the crystal orientation of Al 3Ni were investigated by XRD and the alignment of primary phases Al 3Ni were also analyzed. Experimental results showed that the easy magnetization axis of Al 3Ni crystal oriented parallel to the imposed magnetic fields and the primary phase Al 3Ni aligned perpendicular to the magnetic fields. Magnetic orientation of crystal was determined by magnetic anisotropy energy. Whereas the phase alignment should be contributed to the combined effects of magnetic orientation, crystal growth and the effects of magnetic fields on mass transport during solidification.

  9. Faceted growth of primary Al{sub 2}Cu crystals during directional solidification in high magnetic field

    SciTech Connect

    Li, Chuanjun; Ren, Zhongming; Shen, Yu; Wang, Qiuliang; Dai, Yinming; Wang, Hui

    2013-10-21

    The high magnetic field is widely used to modify the crystal morphology. In this work, the effect of the magnetic field on growing behavior of faceted crystals in the Al-40 wt. %Cu alloy was investigated using directional solidification technique. It was found that the faceted growth of primary Al{sub 2}Cu phase was degraded and the primary spacing was reduced upon applying the magnetic field. Additionally, the length of the mushy zone first decreased and then increased with increase of the magnetic field intensity. The quantitative analysis reveals that the shear stress induced by the fluid motion is insufficient to break the atom bonds at the solid-liquid interface. However, both of the thermoelectric magnetic convection (TEMC) and the thermoelectric magnetic force (TEMF) cause dendrites to fracture and reduce the primary spacing. The two effects also weaken the faceting growth. Moreover, the instability of the solid-liquid interface is generated by the TEMF, which further leads to degrade the faceted growth. The length of mushy zone was changed by the TEMC and reached the minimum in the magnetic field of 0.5 T, which is in good agreement with the predicted value (0.83 T)

  10. Magnetic field induced extraordinary photoluminescence enhancement in Er{sup 3+}:YVO{sub 4} single crystal

    SciTech Connect

    Zhang, Junpei; Wang, Xia; Tang, Chaoqun; Zhong, Zhiqiang; Ma, Zongwei; Wang, Shaoliang; Han, Yibo; Han, Jun-Bo Li, Liang

    2015-08-28

    A bright green photoluminescence (PL) from {sup 4}S{sub 3∕2} → {sup 4}I{sub 15∕2} emission band in Er{sup 3+}:YVO{sub 4} single crystal has been observed with the excitation of an argon laser at 488.0 nm. More than two orders of PL enhancement have been obtained under the effect of magnetic fields, and the enhancement factor f reaches 170 when the applied magnetic field is 7.7 T under the sample temperature of 4.2 K. Unusually, the PL enhancements only happen at some certain magnetic fields (B{sub c}s), and a decrease of sample temperature will lead to the increase of f and decrease of B{sub c}. The results confirm that this PL enhancement originates from the resonance excitation of the electron transitions induced by the cross of the laser energy and the absorption energy modulated by both the magnetic field and temperature. This special PL enhancement in Er{sup 3+}:YVO{sub 4} single crystal can be applied in the calibration of pulsed high magnetic field, detection of material fine energy structures, and modulation of magneto-optical devices.

  11. Hydrogen-isotope transport induced by an electric field in α-Al2O3 single crystals

    NASA Astrophysics Data System (ADS)

    Ramírez, R.; Colera, I.; González, R.; Chen, Y.; Kokta, M. R.

    2004-01-01

    Infrared-absorption measurements were used to characterize OH- and OD- stretching frequencies in Al2O3 crystals both nominally pure and doped with either Ti, V, or Mg impurities. Impurities, cooling rates, and ultraviolet irradiation affect the distribution of various OH- (OD-) band intensities. Polarization experiments determined the precise angle of OH- (OD-) ions protruding from the basal plane for several OH- (OD-) bands. Most were <15°, with one at 21°. Diffusion of isotopic species was performed with and without an electric field. Without an electric field, indiffusion is possible only by exchanging with an existing species. With an electric field, indiffusion occurs by exchange as well as occupying new sites. Incorporation of hydrogen (deuterium) was investigated by subjecting the crystals to a moderate electric field both parallel and perpendicular to the crystallographic c axis, in the temperature range 973 1300 K in H2O (or D2O) vapor. An initial linear dependence of the percent of exchange with annealing time and applied voltage was observed, indicating that ionic conduction is the dominant mechanism. The activation energy for the H+iff D+ exchange was determined to be ≈2.4 eV with an electric field of 3000 V/cm applied either parallel or perpendicular to the c axis. The estimated proton (deuteron) mobility is μ=(6±1)×10-8 cm2/(V s).

  12. Propagation characteristics of a focused laser beam in a strontium barium niobate photorefractive crystal under reverse external electric field.

    PubMed

    Guo, Q L; Liang, B L; Wang, Y; Deng, G Y; Jiang, Y H; Zhang, S H; Fu, G S; Simmonds, P J

    2014-10-01

    The propagation characteristics of a focused laser beam in a SBN:75 photorefractive crystal strongly depend on the signal-to-background intensity ratio (R=Is/Ib) under reverse external electric field. In the range 20>R>0.05, the laser beam shows enhanced self-defocusing behavior with increasing external electric field, while it shows self-focusing in the range 0.03>R>0.01. Spatial solitons are observed under a suitable reverse external electric field for R=0.025. A theoretical model is proposed to explain the experimental observations, which suggest a new type of soliton formation due to "enhancement" not "screening" of the external electrical field.

  13. Near-field thermal radiation transfer between semiconductors based on thickness control and introduction of photonic crystals

    NASA Astrophysics Data System (ADS)

    Inoue, Takuya; Asano, Takashi; Noda, Susumu

    2017-03-01

    We numerically investigate the spectral control of near-field thermal radiation transfer using interband absorption in semiconductors and the band-folding effect in photonic crystals (PCs) for highly efficient thermophotovoltaics. We reveal that the near-field coupling between two semiconductors (Si and GaSb) realizes frequency-selective thermal radiation transfer concentrated above their bandgap energy when their thicknesses are optimized considering their absorption coefficient spectra. Moreover, we elucidate the role of PC structures in the near-field thermal radiation transfer and demonstrate that the band-folding effect in PCs can further increase both the radiation power and frequency selectivity of the near-field thermal radiation transfer.

  14. Electro-optic characteristics of 90° twisted nematic liquid crystal display driven by fringe-electric field

    NASA Astrophysics Data System (ADS)

    Song, I. S.; Shin, S. S.; Kim, H. Y.; Song, S. H.; Lee, S. H.

    2004-02-01

    We investigated the electro-optic characteristics of a fringe-field driven twisted nematic (TN) display. In the absence of an electric field, the liquid crystals (LCs) are initially twisted 90° from the top to the bottom substrate under parallel polarizers so that the cell appears to be black. In the presence of a fringe-electric field, the LCs with negative dielectric anisotropy are rotated toward a plane that is almost perpendicular to the horizontal component of the fringe field, above the entire electrode surface. The cell then appears to be white, and shows high transmittance. In addition, the cell displays a wide viewing angle and has excellent color characteristics over a wide viewing range due to almost in-plane switching, unlike a conventional TN device where the LC director tilts upward in only one direction and results in a narrow viewing angle.

  15. Honeycomb-Lattice Heisenberg-Kitaev Model in a Magnetic Field: Spin Canting, Metamagnetism, and Vortex Crystals

    NASA Astrophysics Data System (ADS)

    Janssen, Lukas; Andrade, Eric C.; Vojta, Matthias

    2016-12-01

    The Heisenberg-Kitaev model is a paradigmatic model to describe the magnetism in honeycomb-lattice Mott insulators with strong spin-orbit coupling, such as A2IrO3 (A =Na , Li ) and α -RuCl3 . Here, we study in detail the physics of the Heisenberg-Kitaev model in an external magnetic field. Using a combination of Monte Carlo simulations and spin-wave theory, we map out the classical phase diagram for different directions of the magnetic field. Broken SU(2) spin symmetry renders the magnetization process rather complex, with sequences of phases and metamagnetic transitions. In particular, we find various large-unit-cell and multi-Q phases including a vortex-crystal phase for a field in the [111 ] direction. We also discuss quantum corrections in the high-field phase.

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

    SciTech Connect

    Zhang, Jun; Zhang, Xiangdong

    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.

  17. Honeycomb-Lattice Heisenberg-Kitaev Model in a Magnetic Field: Spin Canting, Metamagnetism, and Vortex Crystals.

    PubMed

    Janssen, Lukas; Andrade, Eric C; Vojta, Matthias

    2016-12-30

    The Heisenberg-Kitaev model is a paradigmatic model to describe the magnetism in honeycomb-lattice Mott insulators with strong spin-orbit coupling, such as A_{2}IrO_{3} (A=Na, Li) and α-RuCl_{3}. Here, we study in detail the physics of the Heisenberg-Kitaev model in an external magnetic field. Using a combination of Monte Carlo simulations and spin-wave theory, we map out the classical phase diagram for different directions of the magnetic field. Broken SU(2) spin symmetry renders the magnetization process rather complex, with sequences of phases and metamagnetic transitions. In particular, we find various large-unit-cell and multi-Q phases including a vortex-crystal phase for a field in the [111] direction. We also discuss quantum corrections in the high-field phase.

  18. Partial Dissolution of Charge Order Phase Observed in β-(BEDT-TTF)2PF6 Single Crystal Field Effect Transistor.

    PubMed

    Sakai, Masatoshi; Moritoshi, Norifumi; Kuniyoshi, Shigekazu; Yamauchi, Hiroshi; Kudo, Kazuhiro; Masu, Hyuma

    2016-04-01

    The effect of an applied gate electric field on the charge-order phase in β-(BEDT-TTF)2PF6 single-crystal field-effect transistor structure was observed at around room temperature by technical improvement with respect to sample preparation and electrical measurements. A relatively slight but systematic increase of the electrical conductance induced by the applied gate electric field and its temperature dependence was observed at around the metal-insulator transition temperature (TMI). The temperature dependence of the modulated electrical conductance demonstrated that TMI was shifted toward the lower side by application of a gate electric field, which corresponds to partial dissolution of the charge-order phase. The thickness of the partially dissolved charge order region was estimated to be several score times larger than the charge accumulation region.

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

    NASA Astrophysics Data System (ADS)

    Zhang, Jun; Zhang, Xiangdong

    2015-09-01

    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.

  20. Local observation of modes from three-dimensional woodpile photonic crystals with near-field microspectroscopy under supercontinuum illumination.

    PubMed

    Jia, Baohua; Norton, Andrew H; Li, Jiafang; Rahmani, Adel; Asatryan, Ara A; Botten, Lindsay C; Gu, Min

    2008-05-15

    A near-field microscope coupled with a near-infrared (NIR) supercontinuum source is developed and applied to characterize optical modes in a three-dimensional (3D) woodpile photonic crystal (PC) possessing a NIR partial bandgap. Spatially resolved near-field intensity distributions under different illumination wavelengths demonstrate that the electric fields preferentially dwell in the polymer rods or in the gaps between rods, respectively, for frequencies below or above the stop gap, as predicted by the 3D finite-difference time-domain modeling. Near-field microspectroscopy further reveals that the position-dependent band-edge effect plays an important role in PC-based all-optical integrated devices.

  1. Negative Differential Velocity in Artificial Crystals Probed by High Magnetic Fields

    NASA Astrophysics Data System (ADS)

    Patanè, A.

    , for x > 0.2%, which we have attributed to the emergence of defect states with deep (~ 0.3 eV) energy levels. Electron trapping onto these states was not observed at low x (x = 0.2%). In this ultra-dilute alloy regime and at low electric fields (F < 1 kV/cm) the electrical conductivity retains the characteristic features of transport through extended states, albeit with relatively low mobility (µ ~ 0.1 m2/Vs at RT) due to scattering of electrons by N-atoms. We have focused our research on this ultra-dilute regime and exploited the admixing of the localized single N-impurity level with the extended conduction band states of GaAs to realize an unusual type of negative differential velocity (NDV) effect: at large F (> 1 kV/cm), electrons gain sufficient energy to approach the energy of the resonant N-level, where they become spatially localized.7-10 This Resonant Electron Localization in Electric Field, to which we give the acronym RELIEF, leads to NDV and strongly non-linear current-voltage characteristics. We envisage that the RELIEF-effect could be observed in other III-N-V alloys, such as InP1-xNx and InAs1-xNx. In these compounds the nature of the resonant interaction between the N-level and the conduction band states of the host-crystal is still relatively unexplored. However, it is clear that the different energy positions of the N-level relative to the conduction band minimum of different materials could offer new degrees of freedom in the design of the electronic band structure and electron dynamics. The RELIEF-effect may open up prospects for future applications in fast electronics. We have shown that the maximum response frequency, fmax, of a RELIEF-diode can be tuned by the applied electric field in the THz frequency range.7 This is of potential technological significance for the development of detectors/sources in the 0.6-1 THz region, which is not currently attainable using conventional Transferred Electron Devices and Quantum Cascade Lasers. Our recent

  2. Thickness-Dependent and Magnetic-Field-Driven Suppression of Antiferromagnetic Order in Thin V5S8 Single Crystals.

    PubMed

    Hardy, Will J; Yuan, Jiangtan; Guo, Hua; Zhou, Panpan; Lou, Jun; Natelson, Douglas

    2016-06-28

    With materials approaching the 2D limit yielding many exciting systems with intriguing physical properties and promising technological functionalities, understanding and engineering magnetic order in nanoscale, layered materials is generating keen interest. One such material is V5S8, a metal with an antiferromagnetic ground state below the Néel temperature TN ∼ 32 K and a prominent spin-flop signature in the magnetoresistance (MR) when H∥c ∼ 4.2 T. Here we study nanoscale-thickness single crystals of V5S8, focusing on temperatures close to TN and the evolution of material properties in response to systematic reduction in crystal thickness. Transport measurements just below TN reveal magnetic hysteresis that we ascribe to a metamagnetic transition, the first-order magnetic-field-driven breakdown of the ordered state. The reduction of crystal thickness to ∼10 nm coincides with systematic changes in the magnetic response: TN falls, implying that antiferromagnetism is suppressed; and while the spin-flop signature remains, the hysteresis disappears, implying that the metamagnetic transition becomes second order as the thickness approaches the 2D limit. This work demonstrates that single crystals of magnetic materials with nanometer thicknesses are promising systems for future studies of magnetism in reduced dimensionality and quantum phase transitions.

  3. The Design of a Transparent Vertical Multizone Furnace: Application to Thermal Field Tuning and Crystal Growth

    NASA Technical Reports Server (NTRS)

    Duvual, Walter M. B.; Batur, Celal; Bennett, Robert J.

    1998-01-01

    We present an innovative design of a vertical transparent multizone furnace which can operate in the temperature range of 25 C to 750 C and deliver thermal gradients of 2 C/cm to 45 C/cm for the commercial applications to crystal growth. The operation of the eight zone furnace is based on a self-tuning temperature control system with a DC power supply for optimal thermal stability. We show that the desired thermal profile over the entire length of the furnace consists of a functional combination of the fundamental thermal profiles for each individual zone obtained by setting the set-point temperature for that zone. The self-tuning system accounts for the zone to zone thermal interactions. The control system operates such that the thermal profile is maintained under thermal load, thus boundary conditions on crystal growth ampoules can be predetermined prior to crystal growth. Temperature profiles for the growth of crystals via directional solidification, vapor transport techniques, and multiple gradient applications are shown to be easily implemented. The unique feature of its transparency and ease of programming thermal profiles make the furnace useful in scientific and commercial applications for determining the optimized process parameters for crystal growth.

  4. The paleomagnetism of single silicate crystals: Recording geomagnetic field strength during mixed polarity intervals, superchrons, and inner core growth

    NASA Astrophysics Data System (ADS)

    Tarduno, J. A.; Cottrell, R. D.; Smirnov, A. V.

    2006-03-01

    The basic features of the geomagnetic reversal chronology of the last 160 million years are well established. The relationship between this history and other features of the field, however, has been elusive. The determination of past field strength (paleointensity) is especially challenging. Commonly accepted results have come from analyses of bulk samples of lava. Historic lavas have been shown to faithfully record the past field strength when analyzed using the Thellier double-heating method. Data from older lavas, however, tend to show effects of in situ and laboratory-induced alteration. Here we review an alternative approach. Single plagioclase crystals can contain minute magnetic inclusions, 50-350 nm in size, that are potential high-fidelity field recorders. Thellier experiments using plagioclase feldspars from an historic lava on Hawaii provide a benchmark for the method. Rock magnetic data from older lavas indicate that the feldspars are less susceptible to experimental alteration than bulk samples. This resistance is likely related to the lack of clays. In addition, magnetic minerals are sheltered by the encasing silicate matrix from natural alteration that can otherwise transform the well-defined thermoremanent magnetization into an irresolute chemical remanent magnetization. If there is a relationship between geomagnetic reversal frequency and paleointensity, it should be best expressed during superchrons, intervals with few (or no) reversals. Thellier data sets based on single plagioclase crystals from lavas erupted during the Cretaceous Normal Polarity Superchron (~83-120 million years ago) suggest a strong (>12 × 1022 Am2), stable field, consistent with an inverse relationship between reversal frequency and paleointensity. Superchrons may represent times when the pattern of core-mantle boundary heat flux allows the geodynamo to operate at peak efficiency, as suggested in some numerical models. Thellier data from single plagioclase crystals formed

  5. Electric field-induced orthogonal polarization switching in morphotropic phase boundary Pb(0.57)Ba(0.43)Nb(2)O(6) (PBN57) single crystals.

    PubMed

    Guo, R; Bhalla, A S; Cross, L E

    1990-03-01

    Tungsten bronze crystals of Pb(0.57)Ba(0.43)Nb(2)O(6) composition near the morphotropic phase boundary were examined for possible switching of the polarization vector. It is demonstrated that for the single crystal lead barium niobate of tetragonal symmetry, the polarization vector can be switched orthogonally to an orthorhombic phase simply by the application of an electric field.

  6. Curved Ferroelectric Liquid Crystal Matrix Displays Driven by Field-Sequential-Color and Active-Matrix Techniques

    NASA Astrophysics Data System (ADS)

    Fujikake, Hideo; Sato, Hiroto; Murashige, Takeshi; Fujisaki, Yoshihide; Kurita, Taiichiro; Furukawa, Tadahiro; Sato, Fumio

    This paper describes a curved field-sequential-color matrix display using fast-response ferroelectric liquid crystal. Black matrix and transparent electrode patterns were formed on a thin plastic substrate by a transfer method from a glass substrate. While a composite film of liquid crystal and micro-polymers of walls and fibers was formed between the flexible substrates by printing, laminating and curing processes of a solution of monomers and liquid crystal, the mechanical stability was enhanced by use of multi-functional monomers to form large display panels. The image pixels of the matrix panel were driven by an active matrix scheme using an external switch transistor array at a frequency of 180 Hz for intermittent three-primary-color backlight illumination. The flexible A4-paper-sized color display with 24 × 16 pixels and 60 Hz field frequency was demonstrated by illuminating it with sequential three-primary-color lights from light-emitting diodes of the backlight. Our display system is useful in various information displays because of its freedom of setting and location.

  7. Hybrid excitations due to crystal field, spin-orbit coupling, and spin waves in LiFePO4

    NASA Astrophysics Data System (ADS)

    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.

  8. Crystal-field analysis and calculation of two-photon absorption line strengths of dicesium sodium hexachlorogadolinate(III).

    PubMed

    Duan, Chang-Kui; Tanner, Peter A

    2010-03-31

    The crystal-field energy level calculation of the 4f(7) ion Gd(3+) in the crystal Cs(2)NaGdCl(6) has fitted 45 levels with standard deviation 12 cm(-1), with the energy parameters being consistent with those from other studies. The resulting eigenvectors have been employed in the calculation of two-photon absorption (TPA) intensities of transitions from the electronic ground state (8)S(7/2) to the crystal-field levels of excited (6)P, (6)I and (6)D multiplet terms. The TPA line strengths are highly polarization dependent and exhibit striking differences for linearly polarized incident radiation compared with circularly polarized radiation. The relative intensities are compared with those available from previous experimental studies and some reassignments have been made. Good agreement of calculated and experimental TPA spectra is found, except for the intensity ratio of the transitions to (6)P(7/2) or (6)P(5/2) compared with that to (6)P(3/2), for linear and circular polarizations, where the calculation overestimates the ratio. Reasons for this disagreement are presented.

  9. Thermoluminescence response of K2YF5:Tb3+ crystals to photon radiation fields.

    PubMed

    Faria, L O; Lo, D; Kui, H W; Khaidukov, N M; Nogueira, M S

    2004-01-01

    This investigation has been performed to test the feasibility of using K2YF5:Tb3+ crystals as thermoluminescence dosemeters (TLD). K2YF5 single crystals doped with 0.2, 10.0 and 50.0 at.% of trivalent optically active Tb3+ ions as well as K2TbF5 and undoped K2YF5 crystals have been synthesized under hydrothermal conditions. Polished crystal platelets with thickness of about 1 mm have been irradiated with X and gamma rays in order to study thermoluminescent (TL) sensitivity as well as dose and energy response in terms of the Tb3+ concentration in K2YF5. Within this concentration series, K2YF5 crystals doped with 10.0 at.% Tb3+ have been found to have maximum TL response due to a broad asymmetric TL glow peak at 269 degrees C with good linearity of dose response and reproducibility of dose measurements. After deconvolution, the main dosimetric peak has been revealed to be composed of two individual peaks, both with linear TL response behaviour, centered at 210 and 269 degrees C. As it has been proved, the linear TL signal coefficient for K2Y0.9Tb0.1F5 is almost 10 times greater than that for commercial TLD-100 (LiF:Mg,Ti), irradiated with a 137Cs gamma radiation source at the same conditions. The reported results indicate that K2YF5 crystals doped with Tb3+ have potential as promising materials for radiation dosemeters.

  10. Large low-field positive magnetoresistance in nonmagnetic half-Heusler ScPtBi single crystal

    NASA Astrophysics Data System (ADS)

    Hou, Zhipeng; Wang, Yue; Liu, Enke; Zhang, Hongwei; Wang, Wenhong; Wu, Guangheng

    2015-11-01

    High-quality nonmagnetic half-Heusler ScPtBi single crystals were synthesized by a Bi self-flux method. This compound was revealed to be a hole-dominated semimetal with a large low-field magnetoresistance up to 240% at 2 K in a magnetic field of 1 T. Magneto-transport measurements demonstrated that the large low-field magnetoresistance effect resulted from the coexistence of field-induced metal-semiconductor transition and weak-antilocalization effect. Moreover, Hall measurements indicated that ScPtBi single crystal showed a high mobility over a wide temperature region even up to room temperature (4050 cm2V-1s-1 at 2 K-2016 cm2V-1s-1 at 300 K). These findings not only suggest the nonmagnetic ScPtBi semimetal a potential material candidate for applications in high-sensitivity magnetic sensors but also are of great significance to comprehensively understand the rare-earth based half-Heusler compounds.

  11. Lithium ion diffusion in Li β-alumina single crystals measured by pulsed field gradient NMR spectroscopy

    SciTech Connect

    Chowdhury, Mohammed Tareque Takekawa, Reiji; Iwai, Yoshiki; Kuwata, Naoaki; Kawamura, Junichi

    2014-03-28

    The lithium ion diffusion coefficient of a 93% Li β-alumina single crystal was measured for the first time using pulsed field gradient (PFG) NMR spectroscopy with two different crystal orientations. The diffusion coefficient was found to be 1.2 × 10{sup −11} m{sup 2}/s in the direction perpendicular to the c axis at room temperature. The Li ion diffusion coefficient along the c axis direction was found to be very small (6.4 × 10{sup −13} m{sup 2}/s at 333 K), which suggests that the macroscopic diffusion of the Li ion in the β-alumina crystal is mainly two-dimensional. The diffusion coefficient for the same sample was also estimated using NMR line narrowing data and impedance measurements. The impedance data show reasonable agreement with PFG-NMR data, while the line narrowing measurements provided a lower value for the diffusion coefficient. Line narrowing measurements also provided a relatively low value for the activation energy and pre-exponential factor. The temperature dependent diffusion coefficient was obtained in the temperature range 297–333 K by PFG-NMR, from which the activation energy for diffusion of the Li ion was estimated. The activation energy obtained by PFG-NMR was smaller than that obtained by impedance measurements, which suggests that thermally activated defect formation energy exists for 93% Li β-alumina single crystals. The diffusion time dependence of the diffusion coefficient was observed for the Li ion in the 93% Li β-alumina single crystal by means of PFG-NMR experiments. Motion of Li ion in fractal dimension might be a possible explanation for the observed diffusion time dependence of the diffusion coefficient in the 93% Li β–alumina system.

  12. Structure and crystal fields of PrBr3 and PrCl3: A neutron study

    NASA Astrophysics Data System (ADS)

    Schmid, B.; Hälg, B.; Furrer, A.; Urland, W.; Kremer, R.

    1987-04-01

    The crystal structures of PrX3 (X=Br, Cl) and particularly the detailed coordination of the halides X have been studied by neutron diffraction on polycrystalline samples in the temperature range between 4.2 and 293 K. Furthermore, the crystalline electric fields (CEF) in the two compounds have been investigated by inelastic neutron scattering experiments on single-crystal samples. The observed CEF transitions have been identified according to the transition matrix elements and the polarization factor in the neutron cross section, which allowed an unambiguous determination of the four CEF parameters for hexagonal symmetry. The energetic ordering of the CEF levels in PrBr3 and PrCl3 are considerably different which can be understood in terms of the different geometric coordination of the halides determined from the diffraction results.

  13. Theoretical modeling of the linear and nonlinear optical properties of organic crystals within the rigorous local field theory (RLFT)

    SciTech Connect

    Seidler, T.; Stadnicka, K.; Champagne, B.

    2015-03-30

    This contribution summarizes our current findings in the field of calculating and predicting the linear and second-order nonlinear electric susceptibility tensor components of organic crystals. The methodology used for this purpose is based on a combination of the electrostatic interaction scheme developed by Munn and his coworkers (RLFT) with high-level electronic structure calculations. We compare the results of calculations with available experimental data for several examples of molecular crystals. We show the quality of the final results is influenced by i) the chromophore geometry, ii) the method used for molecular properties calculations and iii) the partitioning scheme used. In conclusion we summarize further plans to improve the reliability and predictability of the method.

  14. Electronic and Crystal-field Effects in the Fine Structure of Electron Energy-loss Spectra of Manganites

    SciTech Connect

    Luo, W.; Tao, J.; Varela, M.; Pennycook, S.J.; Pantelides, S.T.

    2009-02-23

    The fine structure of oxygen-K electron energy-loss spectra (EELS) of transition-metal oxides is known to correlate with nominal oxidation states (NOSs) that are often interpreted as charge states. Here we report calculations of O-K EELS in La{sub x}Ca{sub 1-x}MnO{sub 3} that agree with measured spectra and show that the variation in the prepeak's intensity with doping is controlled by the orbital occupancy of the majority-spin Mn 3d states, while its width is controlled by crystal-field splitting. The results confirm an earlier conclusion that the NOS extracted from EELS corresponds only to orbital occupancies, while the physical charge renders all atoms electrically neutral, even in so-called ionic crystals.

  15. Numerical simulation of temperature fields during the sublimation growth of SiC single crystals, using WIAS-HiTNIHS

    NASA Astrophysics Data System (ADS)

    Geiser, Jürgen; Klein, Olaf; Philip, Peter

    2007-05-01

    We present numerical computations of the temperature fields in axisymmetric growth apparatus for sublimation growth of silicon carbide (SiC) bulk single crystals by physical vapor transport (PVT) (modified Lely method). The results are computed using our software WIAS-HiTNIHS, the WIAS High Temperature Numerical Induction Heating Simulator; pronunciation: ˜hit-nice, by solving the energy balance in the entire growth apparatus, taking into account the heat conduction in the solid parts as well as in gas cavities, and also accounting for the radiative heat transfer between the surfaces of the gas cavities. The insulation in a PVT growth apparatus usually consists of graphite felt, where the fibers are aligned in one particular direction, resulting in an anisotropic thermal conductivity. We show that neglecting this anisotropy can overestimate the SiC crystal's temperature by 70 K or underestimate the required heating power by 800 W.

  16. Nuclear spin-lattice relaxation at field-induced level crossings in a Cr8F8 pivalate single crystal

    NASA Astrophysics Data System (ADS)

    Yamamoto, Shoji

    2016-01-01

    We construct a microscopic theory for the proton spin-lattice relaxation-rate 1 / T1 measurements around field-induced level crossings in a single crystal of the trivalent chromium ion wheel complex [Cr8F8(OOCtBu)16] at sufficiently low temperatures [E. Micotti et al., Phys. Rev. B 72 (2005) 020405(R)]. Exactly diagonalizing a well-equipped spin Hamiltonian for the individual clusters and giving further consideration to their possible interactions, we reveal the mechanism of 1 / T1 being single-peaked normally at the first level crossing but double-peaked intriguingly around the second level crossing. We wipe out the doubt about poor crystallization and find out a solution-intramolecular alternating Dzyaloshinsky-Moriya interaction combined with intermolecular coupling of antiferromagnetic character, each of which is so weak as several tens of mK in magnitude.

  17. Numerical model of protein crystal growth in a diffusive field such as the microgravity environment.

    PubMed

    Tanaka, Hiroaki; Sasaki, Susumu; Takahashi, Sachiko; Inaka, Koji; Wada, Yoshio; Yamada, Mitsugu; Ohta, Kazunori; Miyoshi, Hiroshi; Kobayashi, Tomoyuki; Kamigaichi, Shigeki

    2013-11-01

    It is said that the microgravity environment positively affects the quality of protein crystal growth. The formation of a protein depletion zone and an impurity depletion zone due to the suppression of convection flow were thought to be the major reasons. In microgravity, the incorporation of molecules into a crystal largely depends on diffusive transport, so the incorporated molecules will be allocated in an orderly manner and the impurity uptake will be suppressed, resulting in highly ordered crystals. Previously, these effects were numerically studied in a steady state using a simplified model and it was determined that the combination of the diffusion coefficient of the protein molecule (D) and the kinetic constant for the protein molecule (β) could be used as an index of the extent of these depletion zones. In this report, numerical analysis of these depletion zones around a growing crystal in a non-steady (i.e. transient) state is introduced, suggesting that this model may be used for the quantitative analysis of these depletion zones in the microgravity environment.

  18. Effects of carbon nanotubes on electro-optical characteristics of liquid crystal cell driven by in-plane field

    NASA Astrophysics Data System (ADS)

    Jeon, Sang Youn; Shin, Seung Hwan; Jeong, Seok Jin; Lee, Seung Hee; Jeong, Seok Ho; Lee, Young Hee; Choi, Hyun Chul; Kim, Kyeong Jin

    2007-03-01

    Homogeneously aligned nematic liquid crystal (LC) cells doped with carbon nanotubes (CNTs) driven by an in-plane field were fabricated and their electro-optic characteristics were investigated. The effective cell retardation values showed no difference between doped and undoped LC cells in the absence of electric field. However, in the presence of electric field, it was smaller in the CNT-doped cell than in the undoped cell, resulting in the decrease of transmittance. Furthermore, the CNT-doped cell exhibited a slight increase in the driving voltage due to the increase of the twist elastic constant (K22) and the decrease in the decay response time due to the decrease in the rotational viscosity (γ) and γ /K22 compared to the undoped cell.

  19. Phase field modelling on the growth dynamics of double voids of different sizes during czochralski silicon crystal growth

    NASA Astrophysics Data System (ADS)

    Guan, X. J.; Wang, J.

    2017-02-01

    To investigate their dynamics and interaction mechanisms, the growth process of the two voids with different sizes during Czochralski silicon crystal growth were simulated by use of an established phase field model and its corresponding program code. On the basis of the several phase field numerical simulation cases, the evolution laws of the double voids were acquired as follows: the phase field model is capable to simulate the growth process of double voids with different sizes; there are two modes of their growth, that is, either mutual integration or competitive growth; the exact moment of their fusion can be also captured, and it is τ of 7.078 (simulation time step of 14156) for the initial vacancy concentration of 0.02 and the initial space between two void centers of 44Δx.

  20. Observation of nonlinear bands in near-field scanning optical microscopy of a photonic-crystal waveguide

    SciTech Connect

    Singh, A.; Huisman, S. R.; Ctistis, G. Mosk, A. P.; Pinkse, P. W. H.; Korterik, J. P.; Herek, J. L.

    2015-01-21

    We have measured the photonic bandstructure of GaAs photonic-crystal waveguides with high resolution in energy as well as in momentum using near-field scanning optical microscopy. Intriguingly, we observe additional bands that are not predicted by eigenmode solvers, as was recently demonstrated by Huisman et al. [Phys. Rev. B 86, 155154 (2012)]. We study the presence of these additional bands by performing measurements of these bands while varying the incident light power, revealing a non-linear power dependence. Here, we demonstrate experimentally and theoretically that the observed additional bands are caused by a waveguide-specific near-field tip effect not previously reported, which can significantly phase-modulate the detected field.

  1. Magnetic-field sensor based on whispering-gallery modes in a photonic crystal fiber infiltrated with magnetic fluid.

    PubMed

    Mahmood, Aseel; Kavungal, Vishnu; Ahmed, Sudad S; Farrell, Gerald; Semenova, Yuliya

    2015-11-01

    In this work, a magnetic-field sensor was designed to take advantage of the tunability of the resonance wavelengths of a cylindrical whispering-gallery-mode microresonator. The microresonator is based on a 1.3 cm length of photonic crystal fiber infiltrated with a magnetic fluid containing nanoparticles with diameters of either 5 or 10 nm. The Q-factor achieved for the microresonators was 4.24×10(3) or higher. When a magnetic field is applied, the whispering-gallery-mode resonances shift toward longer wavelengths. The experimentally demonstrated sensitivity of the proposed sensor was as high as 110 pm/mT in the magnetic field range from 0 to 38.7 mT.

  2. Transferable force field for crystal structure predictions, investigation of performance and exploration of different rescoring strategies using DFT-D methods.

    PubMed

    Broo, Anders; Nilsson Lill, Sten O

    2016-08-01

    A new force field, here called AZ-FF, aimed at being used for crystal structure predictions, has been developed. The force field is transferable to a new type of chemistry without additional training or modifications. This makes the force field very useful in the prediction of crystal structures of new drug molecules since the time-consuming step of developing a new force field for each new molecule is circumvented. The accuracy of the force field was tested on a set of 40 drug-like molecules and found to be very good where observed crystal structures are found at the top of the ranked list of tentative crystal structures. Re-ranking with dispersion-corrected density functional theory (DFT-D) methods further improves the scoring. After DFT-D geometry optimization the observed crystal structure is found at the leading top of the ranking list. DFT-D methods and force field methods have been evaluated for use in predicting properties such as phase transitions upon heating, mechanical properties or intrinsic crystalline solubility. The utility of using crystal structure predictions and the associated material properties in risk assessment in connection with form selection in the drug development process is discussed.

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

    SciTech Connect

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

    2013-06-30

    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)

  4. The Fano-type transmission and field enhancement in heterostructures composed of epsilon-near-zero materials and truncated photonic crystals

    SciTech Connect

    Zhang, Zhi-fang; Jiang, Hai-tao E-mail: jiang-haitao@tongji.edu.cn; Li, Yun-hui; Chen, Hong; Xue, Chun-hua E-mail: jiang-haitao@tongji.edu.cn; Lu, Hai

    2013-11-11

    The Fano-type interference effect is studied in the heterostructure composed of an epsilon-near-zero (ENZ) material and a truncated photonic crystal for transverse magnetic polarized light. In the Fano-type interference effect, the ENZ material provides narrow reflection pathway and the photonic crystal provides broadband reflection pathway. The boundary condition across the ENZ interface and the confinement effect provided by the photonic crystal can enhance the electric fields in the ENZ material greatly. The field enhancements, together with the asymmetric property of Fano-type spectrum, possess potential applications for significantly lowering the threshold of nonlinear processes such as optical switching and bistability.

  5. Bragg x-ray ptychography of a silicon crystal: Visualization of the dislocation strain field and the production of a vortex beam

    NASA Astrophysics Data System (ADS)

    Takahashi, Yukio; Suzuki, Akihiro; Furutaku, Shin; Yamauchi, Kazuto; Kohmura, Yoshiki; Ishikawa, Tetsuya

    2013-03-01

    We experimentally demonstrate the visualization of nanoscale dislocation strain fields in a thick silicon single crystal by a coherent diffraction imaging technique called Bragg x-ray ptychography. We also propose that the x-ray microbeam carrying orbital angular momentum is selectively produced by coherent Bragg diffraction from dislocation singularities in crystals. This work not only provides us with a tool for characterizing dislocation strain fields buried within extended crystals but also opens up new scientific opportunities in femtosecond spectroscopy using x-ray free-electron lasers.

  6. Crystallization of spin superlattices with pressure and field in the layered magnet SrCu2(BO3)2

    DOE PAGES

    Haravifard, S.; Graf, D.; Feiguin, A. E.; ...

    2016-06-20

    An exact mapping between quantum spins and boson gases provides fresh approaches to the creation of quantum condensates and crystals. Here we report on magnetization measurements on the dimerized quantum magnet SrCu2(BO3)2 at cryogenic temperatures and through a quantum-phase transition that demonstrate the emergence of fractionally filled bosonic crystals in mesoscopic patterns, specified by a sequence of magnetization plateaus. We apply tens of Teslas of magnetic field to tune the density of bosons and gigapascals of hydrostatic pressure to regulate the underlying interactions. Simulations help parse the balance between energy and geometry in the emergent spin superlattices. In conclusion, themore » magnetic crystallites are the end result of a progression from a direct product of singlet states in each short dimer at zero field to preferred filling fractions of spin-triplet bosons in each dimer at large magnetic field, enriching the known possibilities for collective states in both quantum spin and atomic systems.« less

  7. GV /m Single-Cycle Terahertz Fields from a Laser-Driven Large-Size Partitioned Organic Crystal

    NASA Astrophysics Data System (ADS)

    Vicario, Carlo; Monoszlai, Balazs; Hauri, Christoph P.

    2014-05-01

    We report on compact and efficient laser-based THz generation in the terahertz frequency gap (1-10 THz). The radiation is generated by optical rectification of a midinfrared laser in a large-size, partitioned nonlinear organic crystal assembly. This enables up-scaling of presently field-limited tabletop THz sources to GV /m electric and several tesla magnetic field at millijoule pulse energy. In agreement with simulations, the THz beam properties at focus are shown to be not deteriorated by the discontinuity of the emitter surface. The high laser-to-THz energy conversion efficiency exceeds the Manley-Rowe limit and is explained by a cascaded χ(2) process in the organic crystals accompanied by a significant redshift of the pump spectrum. The scheme provides a compact, tabletop THz source for single-cycle transients at field strength equivalent or even higher to linear accelerator and FEL-based THz sources. This opens an avenue toward novel nonlinear THz applications.

  8. Peperomia leaf cell wall interface between the multiple hypodermis and crystal-containing photosynthetic layer displays unusual pit fields

    PubMed Central

    Horner, Harry T.

    2012-01-01

    Background and Aims Leaves of succulent Peperomia obtusifolia (Piperaceae), and its related species, contain a large multilayered hypodermis (epidermis) subtended by a very small single-layered photosynthetic palisade parenchyma, the latter containing spherical aggregates of crystals called druses. Each druse is in a central vacuole surrounded by chloroplasts. All hypodermal cell walls are thin, except for thick lowermost periclinal walls associated with the upper periclinal walls of the subtending palisade cells. These thick walls display ‘quilted’ impressions (mounds) formed by many subtending palisade cells. Conspicuous depressions occur in most mounds, and each depression contains what appear to be many plasmodesmata. These depressions are opposite similar regions in adjacent thin palisade periclinal walls, and they can be considered special pit fields that represent thin translucent regions (‘windows’ or ‘skylights’). Druses in the vacuoles of palisade cells occur below these pit field regions and are surrounded by conspicuous cytoplasmic chloroplasts with massive grana oriented perpendicular to the crystals, probably providing for an efficient photosynthetic system under low-intensity light. Methods Leaf clearings and fractures, light microscopy and crossed polarizers, general and histochemical staining, and transmission and scanning electron microscopy were used to examine these structures. Key Results Druses in the vacuoles of palisade cells occur below the thin pit field regions in the wall interface, suggesting an interesting physical relationship that could provide a pathway for light waves, filtered through the multiple hypodermis. The light waves pass into the palisade cells and are collected and dispersed by the druses to surrounding chloroplasts with large grana. Conclusions These results imply an intriguing possible efficient photosynthetic adaptation for species growing in low-light environments, and provide an opportunity for future

  9. Electronic Levels Of Cr2+ Ion Doped In II-VI Compounds Of ZnS - Crystal Field Treatment

    NASA Astrophysics Data System (ADS)

    Ivaşcu, Simona

    2012-12-01

    The aim of present paper is to report the results on the modeling of the crystal field and spin-Hamiltonian parameters of Cr2+ doped in II-VI host matrix ZnS and simulate the energy levels scheme of such system taken into account the fine interactions entered in the Hamiltonian of the system. All considered types of such interaction are expected to give information on the new peculiarities of the absorption and emission bands, as well as of non-radiative transitions between the electronic states of impurity ions. The obtained results were disscused, compared with similar obtained results in literature and with experimental data.

  10. Noninvasive Vibrational Mode Spectroscopy of Ion Coulomb Crystals through Resonant Collective Coupling to an Optical Cavity Field

    SciTech Connect

    Dantan, A.; Marler, J. P.; Albert, M.; Guenot, D.; Drewsen, M.

    2010-09-03

    We report on a novel noninvasive method to determine the normal mode frequencies of ion Coulomb crystals in traps based on the resonance enhanced collective coupling between the electronic states of the ions and an optical cavity field at the single photon level. Excitations of the normal modes are observed through a Doppler broadening of the resonance. An excellent agreement with the predictions of a zero-temperature uniformly charged liquid plasma model is found. The technique opens up for investigations of the heating and damping of cold plasma modes, as well as the coupling between them.

  11. Te inclusion-induced electrical field perturbation in CdZnTe single crystals revealed by Kelvin probe force microscopy.

    PubMed

    Gu, Yaxu; Jie, Wanqi; Li, Linglong; Xu, Yadong; Yang, Yaodong; Ren, Jie; Zha, Gangqiang; Wang, Tao; Xu, Lingyan; He, Yihui; Xi, Shouzhi

    2016-09-01

    To understand the effects of tellurium (Te) inclusions on the device performance of CdZnTe radiation detectors, the perturbation of the electrical field in and around Te inclusions was studied in CdZnTe single crystals via Kelvin probe force microscopy (KPFM). Te inclusions were proved to act as lower potential centers with respect to surrounding CdZnTe matrix. Based on the KPFM results, the energy band diagram at the Te/CdZnTe interface was established, and the bias-dependent effects of Te inclusion on carrier transportation is discussed.

  12. Tuning of an active photonic crystal cavity by an hybrid silica/silicon near-field probe.

    PubMed

    Le Gac, G; Rahmani, A; Seassal, C; Picard, E; Hadji, E; Callard, S

    2009-11-23

    The influence of a near-field tip on the spectral characteristics of a resonant mode of an active photonic crystal micro-cavity was investigated. The wavelength shift of the mode was theoretically and experimentally demonstrated and evaluated as a function of the nature and the position of the tip above the cavity. Experiment showed that the shift induced is ten times higher with a Si-coated silica probe than with a bare silica tip: a shift until 2 nm was reached with Si-coated tip whereas the shift with bare silica tip is in the range of the tenth of nanometer, for wavelengths around 1,55 microm.

  13. Field-induced Bragg diffraction in polymer stabilized cholesteric liquid crystal bubbles

    NASA Astrophysics Data System (ADS)

    Varanytsia, Andrii; Chien, Liang-Chy

    2015-03-01

    Cholesteric liquid crystals (CLC) with a specific confinement conditions are known to form bubble domain (BD) texture. We have developed the CLC BD texture stabilized with a small amount of polymer. CLC bubbles of a BD texture self-assemble into domains with a hexagonal ordering and optically perform as a diffraction grating. By stabilization of the BD texture with a polymer we have improved optical quality of the diffractive CLC layer and have increased its mechanical stability. We discuss details about samples preparation, Bragg diffraction, electro-optical performance and present results of scanning electron microscopy (SEM) morphological study of the polymer network formed in the bulk of the diffractive liquid crystal layer.

  14. Phase-field Simulations of Te-Precipitate Morphology and Evolution Kinetics in Te-Rich CdTe Crystals

    SciTech Connect

    Hu, Shenyang Y.; Henager, Charles H.

    2009-05-15

    Te precipitates are one of main defects that form during the cooling process of as–grown CdTe crystals. Many factors such as the kinetic properties of intrinsic point defects (vacancy, interstitial, and antisites), internal stresses around the precipitates associated with the lattice mismatch between the precipitate and matrix, thermal stresses due to temperature gradients, extended defects (dislocations, twin and grain boundaries), non-stoichiometric composition, and the thermal treatment processing might all affect the formation and growth/dissolution of Te precipitates. A good understanding of these effects on Te precipitate evolution kinetics is technically important in order to optimize the material process and obtain high quality crystals. This work aims to develop a phase-field model for investigating the evolution of a Te-precipitate in a Te-rich CdTe crystal under cooling. Cd vacancies and Te interstitials are assumed to be the diffusion species in the system. We also assume that the system is in two phase equilibrium (matrix CdTe and liquid Cd-Te droplet) at high temperatures and three phase equilibrium (matrix CdTe, Te-precipitate, and void) at low temperatures. With the thermodynamic and kinetic properties from experimental phase diagrams and thermodynamic calculations, the effect of Te and vacancy mobility, cooling rates and internal stresses on Te-precipitate and void evolution kinetics are investigated.

  15. Picosecond electric-field-induced threshold switching in phase-change materials [THz-induced threshold switching and crystallization of phase-change materials

    DOE PAGES

    Zalden, Peter; Shu, Michael J.; Chen, Frank; ...

    2016-08-05

    Many chalcogenide glasses undergo a breakdown in electronic resistance above a critical field strength. Known as threshold switching, this mechanism enables field-induced crystallization in emerging phase-change memory. Purely electronic as well as crystal nucleation assisted models have been employed to explain the electronic breakdown. Here, picosecond electric pulses are used to excite amorphous Ag4In3Sb67Te26. Field-dependent reversible changes in conductivity and pulse-driven crystallization are observed. The present results show that threshold switching can take place within the electric pulse on subpicosecond time scales—faster than crystals can nucleate. As a result, this supports purely electronic models of threshold switching and reveals potentialmore » applications as an ultrafast electronic switch.« less

  16. Picosecond electric-field-induced threshold switching in phase-change materials [THz-induced threshold switching and crystallization of phase-change materials

    SciTech Connect

    Zalden, Peter; Shu, Michael J.; Chen, Frank; Wu, Xiaoxi; Zhu, Yi; Wen, Haidan; Johnston, Scott; Shen, Zhi -Xun; Landreman, Patrick; Brongersma, Mark; Fong, Scott W.; Wong, H. -S. Philip; Sher, Meng -Ju; Jost, Peter; Kaes, Matthias; Salinga, Martin; von Hoegen, Alexander; Wuttig, Matthias; Lindenberg, Aaron M.

    2016-08-05

    Many chalcogenide glasses undergo a breakdown in electronic resistance above a critical field strength. Known as threshold switching, this mechanism enables field-induced crystallization in emerging phase-change memory. Purely electronic as well as crystal nucleation assisted models have been employed to explain the electronic breakdown. Here, picosecond electric pulses are used to excite amorphous Ag4In3Sb67Te26. Field-dependent reversible changes in conductivity and pulse-driven crystallization are observed. The present results show that threshold switching can take place within the electric pulse on subpicosecond time scales—faster than crystals can nucleate. As a result, this supports purely electronic models of threshold switching and reveals potential applications as an ultrafast electronic switch.

  17. Investigation of fringing electric field effect on high-resolution blue phase liquid crystal spatial light modulator.

    PubMed

    Yan, Jing; Guo, Zhengbo; Xing, Yufei; Li, Qing

    2015-08-20

    The fringing electric field effect which determines the performance of a high-resolution blue phase liquid crystal spatial light modulator (BPLC-SLM) is investigated by numerical modeling. The BPLC-SLM is polarization-dependent due to the transverse electric field component. The physical mechanism of the phase profile properties for different polarization states is analyzed. General design issues related to the BPLC-SLM configuration and phase profile properties are discussed. Notably, the material parameters and cell gap thickness are both optimized to obtain a low operation voltage (V=26.07  V). This work provides fundamental understanding for the feasibility of low operation voltage and high spatial resolution BPLC-SLM.

  18. XPS Observations of Crystal Field Splitting in TiO2 Thin Films in Quantum Confinement Approach

    NASA Astrophysics Data System (ADS)

    Sushkova, Natalya

    2015-03-01

    Transition metal oxides attract increased interest due to amazing electrical and magnetic properties and their outstanding applications designated by relative d-band redistributions that are shifted in such a way that narrow bands arranged by localized electrons are situated in the vicinity of EF. Different kinds of lattice distortions caused by doping and/or quantum size confinement of TM oxides are assigned to remarkable phenomenon Mott metal-insulator transitions, when mutual metal-oxide orbital arrangement changes dramatically. There is a widespread consensus that strong electron correlations are responsible for that change and magnetic excitation is one of manifestations of these correlations. Here we are presenting XPS study of titanium dioxide nanocrystal formations on silicon substrate with native oxide. The dynamic changes in XPS spectra were used for analysis of TiO2 thin films with mass thicknesses up to 2 monolayers formed by redox reactions of sputtered Ti on Si(100) substrate with native oxide implemented in situ under UHV conditions. XPS spectra evolution, as a traditional source of information on phase composition, was complemented by the possibility to estimate the morphology and crystal field splitting of formed precipitates. Intensity fluctuations observed for O1s, Si 2p, Ti2p spectra were accompanied by crystal field splitting in Ti2p and on second derivatives of O1s. These fluctuations were followed by noticeable changes in the vicinity of band gap indicating possible Mott metal-insulator transitions.

  19. Absence of first order transition in the random crystal field Blume-Capel model on a fully connected graph

    NASA Astrophysics Data System (ADS)

    Sumedha; Jana, Nabin Kumar

    2017-01-01

    In this paper we solve the Blume-Capel model on a complete graph in the presence of random crystal field with a distribution, P≤ft({{ Δ }i}\\right)=pδ ≤ft({{ Δ }i}- Δ \\right)+(1-p)δ ≤ft({{ Δ }i}+ Δ \\right) , using large deviation techniques. We find that the first order transition of the pure system is destroyed for 0.046  <  p  <  0.954 for all values of the crystal field, Δ . The system has a line of continuous transition for this range of p from -∞ < Δ <∞ . For values of p outside this interval, the phase diagram of the system is similar to the pure model, with a tricritical point separating the line of first order and continuous transitions. We find that in this regime, the order vanishes for large Δ for p  <  0.046(and for large - Δ for p  >  0.954) even at zero temperature.

  20. Resolving the spin reorientation and crystal-field transitions in TmFeO3 with terahertz transient

    PubMed Central

    Zhang, Kailin; Xu, Kai; Liu, Xiumei; Zhang, Zeyu; Jin, Zuanming; Lin, Xian; Li, Bo; Cao, Shixun; Ma, Guohong

    2016-01-01

    Rare earth orthoferrites (RFeO3) exhibit abundant physical properties such as, weak macroscopic magnetization, spin reorientation transition, and magneto-optical effect, especially the terahertz magnetic response, have received lots of attention in recent years. In this work, quasi-ferromagnetic (FM) and quasi-antiferromagnetic (AFM) modes arising from Fe sublattice of TmFeO3 single crystal are characterized in a temperature range from 40 to 300 K, by using terahertz time-domain spectroscopy (THz-TDS). The magnetic anisotropy constants in ac-plane are estimated according to the temperature-dependent resonant frequencies of both FM and AFM modes. Here, we further observe the broad-band absorptions centered ~0.52, ~0.61, and ~1.15 THz below 110 K, which are reasonably assigned to a series of crystal-field transitions (R modes) of ground multiplets (6H3) of Tm3+ ions. Specially, our finding reveals that the spin reorientation transition at a temperature interval from 93 to 85 K is driven by magnetic anisotropy, however, which plays negligible role on the electronic transitions of Tm ions in the absence of applied magnetic fields. PMID:27009361

  1. On the binary nature of the mechanism of orientational instability in cholesteric liquid crystals in wave fields

    NASA Astrophysics Data System (ADS)

    Kapustina, O. A.

    2014-07-01

    The prediction of a theory developed with allowance for the processes of orientational order parameter relaxation in liquid crystals about two independent acoustic mechanisms of orientational instability in the planar layer of a cholesteric liquid crystal (CLC) in a wave field, manifesting itself in the occurrence of a system of 2D domains, is experimentally substantiated for the first time. The distortions of the layer macrostructure for the mesophase of this type was observed in the field of longitudinal waves in a wide frequency range, including frequencies above the relaxation frequency of the orientational order parameter in CLC. The values of the spatial domain period at the effect threshold and the threshold compression amplitudes are determined for CLC layers 10-100 μm thick with a helix pitch of 2-30 μm in the frequency range of 0.3-45 MHz. It is shown that a complete theoretical description of the phenomenon, consistent with the experimental data, can be obtained only with allowance for the action of the convection and the nonlinear relaxation mechanisms of the mesophase layer structure destabilization, which have different natures.

  2. Crystal-field study of magnetization and specific heat properties of frustrated pyrochlore Pr2Zr2O7

    NASA Astrophysics Data System (ADS)

    Alam, J.; Jana, Y. M.; Biswas, A. Ali

    2016-10-01

    The experimental results of temperature dependent dc magnetic susceptibility, field dependent isothermal magnetization, magnetic specific heat and entropy of the pyrochlore Pr2Zr2O7 are simulated and analyzed using appropriate D3d crystal-field (CF) and anisotropic molecular field tensors at Pr-sites in the self-consistent mean-field approach involving four magnetically non-equivalent rare-earth spins on the tetrahedral unit of the pyrochlore structure. CF level pattern and wave-functions of the ground 3H4 multiplet of the Pr3+ ions are obtained considering intermediate coupling between different Russell-Saunders terms of the 4f2 electronic configurations of Pr-ion and J-mixing effects. CF analysis shows that the CF ground-state of the Pr3+ ion in Pr2Zr2O7 is a well-isolated doublet, with significant admixtures of terms coming from |MJ=±4> and |MJ=±1>, and the Pr-spins are effectively Ising-like along the local <111> axes. Magnetic specific heat in zero-field is simulated by considering a temperature dependence of the exchange splitting of the ground doublet.

  3. Terahertz-field-induced second harmonic generation through Pockels effect in zinc telluride crystal.

    PubMed

    Cornet, Marion; Degert, Jérôme; Abraham, Emmanuel; Freysz, Eric

    2014-10-15

    We report on the second harmonic generation (SHG) of a near-infrared pulse in a zinc telluride crystal through the Pockels effect induced by an intense terahertz pulse. The temporal and angular behaviors of the SHG have been measured and agree well with theoretical predictions. This phenomenon, so far overlooked, makes it possible to generate second harmonic through cascading of two second-order nonlinear phenomena in the near-infrared and terahertz ranges. We also show how this cascading process can be used to sample terahertz pulses.

  4. Electrical Impact of SiC Structural Crystal Defects on High Electric Field Devices

    NASA Technical Reports Server (NTRS)

    Neudeck, Philip G.

    1999-01-01

    Commercial epilayers are known to contain a variety of crystallographic imperfections. including micropipes, closed core screw dislocations. low-angle boundaries, basal plane dislocations, heteropolytypic inclusions, and non-ideal surface features like step bunching and pits. This paper reviews the limited present understanding of the operational impact of various crystal defects on SiC electrical devices. Aside from micropipes and triangular inclusions whose densities have been shrinking towards manageably small values in recent years, many of these defects appear to have little adverse operational and/or yield impact on SiC-based sensors, high-frequency RF, and signal conditioning electronics. However high-power switching devices used in power management and distribution circuits have historically (in silicon experience) demanded the highest material quality for prolonged safe operation, and are thus more susceptible to operational reliability problems that arise from electrical property nonuniformities likely to occur at extended crystal defects. A particular emphasis is placed on the impact of closed-core screw dislocations on high-power switching devices, because these difficult to observe defects are present in densities of thousands per cm,in commercial SiC epilayers. and their reduction to acceptable levels seems the most problematic at the present time.

  5. CRYSTAL-FACE: A Field Experiment and Modeling Program Focused on Tropical Anvils and Cirrus Layers

    NASA Technical Reports Server (NTRS)

    Jenson, Eric; Gore, Warren J. (Technical Monitor)

    2002-01-01

    The Cirrus Regional Study of Tropical Anvils and Cirrus Layers - Florida Area Cirrus Experiment (CRYSTAL-FACE) is a measurement campaign designed to investigate tropical Cirrus cloud physical properties and formation processes. Understanding the production of upper tropospheric cirrus clouds is essential for the successful modeling of 'he Earth's climate. The deployment phase will occur in July, 2002 in southern Florida, USA. Several aircraft will be used, including the ER-2 and Proteus for cloud remote sensing, the WB-57 and Citation for in situ cloud measurements, the P-3 with a Doppler radar for characterization of convective systems, and the Twin otter for sampling of inflow airmasses. In addition, numerous ground-based and satellite remote sensing measurements will be contributing. A central focus of the mission is improvement of our ability to model cirrus clouds with numerical models. Several research groups with a variety of model types (cloud-resolving models, mesoscale models, weather-prediction models, and general circulation models) will be participating. Our hope is to fully characterize several mulonimbus/cirrus anvil systems that can be used as case studies for testing and improvement of the models. The models will be used for investigating cirrus generation and dissipation processes and the sensitivity of tropical cirrus to convective intensity and aerosol properties. Ultimately, we expect this effort to improve our ability to represent tropical cirrus in GCMs. A general description of the CRYSTAL-FACE program will be presented, with an emphasis on the cloud modeling approach.

  6. Field-cycling NMR relaxometry of a liquid crystal above TNI in mesoscopic confinement

    NASA Astrophysics Data System (ADS)

    Sebastião, P. J.; Sousa, D.; Ribeiro, A. C.; Vilfan, M.; Lahajnar, G.; Seliger, J.; Žumer, S.

    2005-12-01

    We measured the proton spin-lattice relaxation times in the isotropic phase of liquid crystal 4'-n-pentyl-4-cyanobiphenyl (5CB) confined into porous glass (CPG) with the average pore diameter ˜72nm . The analysis of T1-1 frequency dispersions, spanning over four decades, shows that the main relaxation mechanism induced by the ordered surface layer are molecular reorientations mediated by translational displacements (RMTD). The RMTD contribution to T1-1 is proportional to the inverse square root of Larmor frequency, a consequence of the equipartition of diffusion modes along the surface. Low and high frequency cutoffs of the RMTD mechanism clearly reveal that the surface alignment of liquid crystal is random planar with the size of uniformly oriented patches ˜5nm , depending on the treatment of the CPG matrix. According to the size of the uniformly oriented patches varies also the thickness of the ordered surface layer and its temperature behavior. The surface-induced order parameter is found to be temperature independent and determined by the local short range surface interactions.

  7. Orientational dynamics of a ferronematic liquid crystal in a rotating magnetic field

    SciTech Connect

    Boychuk, A. N. Zakhlevnykh, A. N.; Makarov, D. V.

    2015-09-15

    The behavior of the orientational structure of a ferronematic in a rotating uniform magnetic field is investigated using the continual theory. The time-dependent system of equations describing the dynamics of the ferronematic is derived. The dependences of the angles of rotation of the director and of the magnetization of the ferronematic on the velocity of field rotation are determined for various values of the material parameters. Two regimes (synchronous and asynchronous) of rotation of the ferronematic structure are detected. In the synchronous regime, the director rotates with the frequency of the magnetic field and a constant phase delay. The asynchronous regime is characterized by a time-dependent phase delay. The dependence of the critical angular velocity of magnetic field rotation, which determines the boundary between the synchronous and asynchronous regimes, on the magnetic field strength is derived.

  8. Intrinsically incompatible crystal (ligand) field parameter sets for transition ions at orthorhombic and lower symmetry sites in crystals and their implications

    NASA Astrophysics Data System (ADS)

    Rudowicz, C.; Gnutek, P.

    2010-01-01

    Central quantities in spectroscopy and magnetism of transition ions in crystals are crystal (ligand) field parameters (CFPs). For orthorhombic, monoclinic, and triclinic site symmetry CF analysis is prone to misinterpretations due to large number of CFPs and existence of correlated sets of alternative CFPs. In this review, we elucidate the intrinsic features of orthorhombic and lower symmetry CFPs and their implications. The alternative CFP sets, which yield identical energy levels, belong to different regions of CF parameter space and hence are intrinsically incompatible. Only their ‘images’ representing CFP sets expressed in the same region of CF parameter space may be directly compared. Implications of these features for fitting procedures and meaning of fitted CFPs are categorized into negative: pitfalls and positive: blessings. As a case study, the CFP sets for Tm 3+ ions in KLu(WO 4) 2 are analysed and shown to be intrinsically incompatible. Inadvertent, so meaningless, comparisons of incompatible CFP sets result in various pitfalls, e.g., controversial claims about the values of CFPs obtained by other researchers as well as incorrect structural conclusions or faulty systematics of CF parameters across rare-earth ion series based on relative magnitudes of incompatible CFPs. Such pitfalls bear on interpretation of, e.g., optical spectroscopy, inelastic neutron scattering, and magnetic susceptibility data. An extensive survey of pertinent literature was carried out to assess recognition of compatibility problems. Great portion of available orthorhombic and lower symmetry CFP sets are found intrinsically incompatible, yet these problems and their implications appear barely recognized. The considerable extent and consequences of pitfalls revealed by our survey call for concerted remedial actions of researchers. A general approach based on the rhombicity ratio standardization may solve compatibility problems. Wider utilization of alternative CFP sets in the

  9. Narrowing the Zero-Field Tunneling Resonance by Decreasing the Crystal Symmetry of Mn12 Acetate.

    PubMed

    Espín, Jordi; Zarzuela, Ricardo; Statuto, Nahuel; Juanhuix, Jordi; Maspoch, Daniel; Imaz, Inhar; Chudnovsky, Eugene; Tejada, Javier

    2016-07-27

    We report the discovery of a less symmetric crystalline phase of Mn12 acetate, a triclinic phase, resulting from recrystallizing the original tetragonal phase reported by Lis in acetonitrile and toluene. This new phase exhibits the same structure of Mn12 acetate clusters and the same positions of tunneling resonances on the magnetic field as the conventional tetragonal phase. However, the width of the zero-field resonance is at least 1 order of magnitude smaller-can be as low as 50 Oe-indicating very small inhomogeneous broadening due to dipolar and nuclear fields.

  10. Dust grain oscillations in two-dimensional hexagonal dusty plasma crystals in the presence of a magnetic field

    SciTech Connect

    Farokhi, B.; Shahmansouri, M.; Shukla, P. K.

    2009-06-15

    The influence of a constant magnetic field on the propagation of dust-lattice waves in a two-dimensional hexagonal strongly coupled dusty plasma crystal is considered. The expression for the wave dispersion relation clearly shows that high- and low-frequency dust lattice vibrations exist as a result of the coupling between the longitudinal and transverse dust lattice modes due to the Lorentz force acting on the charged dust particles. It is found that in an external magnetic field the damping rate of the high-frequency (low-frequency) dust lattice wave is increased (decreased). For special values of the wave number and the direction of the wave propagation, the imaginary part of low-frequency is zero and the imaginary part of high-frequency attains a maximum value. The present investigation indicates that the damping rates depend on direction of the external magnetic field. The polarization of dust lattice wave modes is found for different magnetic field strengths and for different directions.

  11. Colloidal Stability and Magnetic Field-Induced Ordering of Magnetorheological Fluids Studied with a Quartz Crystal Microbalance

    PubMed Central

    Rodriguez-López, Jaime; Castro, Pedro; de Vicente, Juan; Johannsmann, Diethelm; Elvira, Luis; Morillas, Jose R.; Montero de Espinosa, Francisco

    2015-01-01

    This work proposes the use of quartz crystal microbalances (QCMs) as a method to analyze and characterize magnetorheological (MR) fluids. QCM devices are sensitive to changes in mass, surface interactions, and viscoelastic properties of the medium contacting its surface. These features make the QCM suitable to study MR fluids and their response to variable environmental conditions. MR fluids change their structure and viscoelastic properties under the action of an external magnetic field, this change being determined by the particle volume fraction, the magnetic field strength, and the presence of thixotropic agents among other factors. In this work, the measurement of the resonance parameters (resonance frequency and dissipation factor) of a QCM are used to analyze the behavior of MR fluids in static conditions (that is, in the absence of external mechanical stresses). The influence of sedimentation under gravity and the application of magnetic fields on the shifts of resonance frequency and dissipation factor were measured and discussed in the frame of the coupled resonance produced by particles touching the QCM surface. Furthermore, the MR-fluid/QCM system has a great potential for the study of high-frequency contact mechanics because the translational and rotational stiffness of the link between the surface and the particles can be tuned by the magnetic field. PMID:26690152

  12. Extended parametric gain range in photonic crystal fibers with strongly frequency-dependent field distributions.

    PubMed

    Petersen, Sidsel R; Alkeskjold, Thomas T; Olausson, Christina B; Lægsgaard, Jesper

    2014-08-15

    The parametric gain range of a degenerate four-wave mixing process is determined in the undepleted pump regime. The gain range is considered with and without taking the mode field distributions of the four-wave mixing components into account. It is found that the mode field distributions have to be included to evaluate the parametric gain correctly in dispersion-tailored speciality fibers and that mode profile engineering can provide a way to increase the parametric gain range.

  13. High Pressure Crystallization of Mafic Magma: Field Observations, Compositional Measurements and Computer Modeling

    NASA Astrophysics Data System (ADS)

    Tracy, R. J.

    2009-05-01

    The Cortlandt Complex is a small early Silurian composite, mafic to ultramafic, anorogenic deep crustal pluton about 60 km N of New York City in which most rocks in the six mapped plutonic phases have resulted from either fractionation or contamination or both. Bender et al (AJS-1984) estimated Cortlandt parental composition as an alkalic gabbro based on the nature of early plutons. The youngest and easternmost pluton consists largely of concentrically layered pyroxenites and olivine pyroxenites (with subequal modal proportions of opx and cpx, and only minor ol) and it appears to have had a different parental magma. Samples collected through a series of layers reflecting a few hundred meters of stratigraphy in layered pyroxenites indicate wide variation in F/FM (0.18 to 0.3) and both Al and Ti contents of pyroxenes are unusually high (cpx - Al2O3 from 6-7 wt percent and TiO2 from 1.0 - 1.5 wt percent; opx - Al2O3 from 3.8 - 5.7 wt percent and TiO2 from 0.2 to 0.7 wt percent). All pyroxenes show significant exsolution of ilm lamellae. Crystallization pressure has been well constrained by thermobarometry of metapelites in the thermal aureole at roughly 0.8 GPa, making this a very unusual example of very high P cumulate formation. Several magma compositions were tested as suitable parents by running computer simulations using MELTS (Ghiorso and Sack, 1995, CMP; Asimow and Ghiorso, 1998, Am. Min.). These MELTS runs quickly eliminated the proposed alkalic gabbro parent - it did not crystallize opx at any P. In this preliminary modeling, the most suitable parental magma for the cumulates was a picritic Karoo basalt (SiO2 - 46.9, TiO2 - 1.6, Al2O3 - 9.3, FeO - 12.2, MgO - 15.9, CaO - 9.1; Na2O - 1.3, K2O - 0.6, P2O5 - 0.2). MELTS runs at 8 kbar and FMQ showed a close approximation to both mineral proportions and mineral chemistry of the Cortlandt samples. The initial liquidus phase was opx at 1421C, ol at 1407C (L 4.4percent crystallized), spl at 1301C (L 19.7 percent

  14. Single-Crystal Equations of State and Hyperfine Fields of Magnesiowüstite at High Pressures

    NASA Astrophysics Data System (ADS)

    Finkelstein, G. J.; Zhang, D.; Jackson, J. M.

    2015-12-01

    In recent years, seismic observations have provided increasing evidence for significant heterogeneity in Earth's lower mantle at both large (i.e. large low shear velocity provinces, or LLSVPs) and comparatively small (ultra-low velocity zones, or ULVZs) scales. One possible source of heterogeneity is variation in the Fe-content of the (Mg,Fe)O component of the lower mantle due to melting events and/or reactions with Earth's outer core. Most previous studies have focused on compositions containing ~10-20 mol% Fe, but small amounts of compositions with an enhanced Fe concentration may strongly impact the elastic properties of the bulk phase assemblage. Here, we present results from two high-precision single-crystal x-ray diffraction studies on (Fe0.78Mg0.22)O magnesiowüstite to pressures of about 55 GPa at 300 K, one using neon and the other using helium as pressure-transmitting media. We observe a noticeably different compression behavior in the two pressure media at pressures greater than about 20 GPa, and compare to previous work on similar compositions. We also conducted a complementary single-crystal time domain synchrotron Mössbauer spectroscopy (SMS) study on the same composition in a helium medium to about 70 GPa to gain insight into the atom-scale properties of the Fe sublattice. We discuss the resulting hyperfine fields as a function of pressure, including the isomer shift, quadrupole splitting, magnetic, and texturing parameters. The advantages of using single crystals for such investigations will also be discussed. Finally, implications for the elastic properties of magnesiowüstite in the deep mantle will be considered.

  15. RNA Crystallization

    NASA Technical Reports Server (NTRS)

    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.

  16. Unusual Kondo-hole effect and crystal-field frustration in Nd-doped CeRhIn5

    DOE PAGES

    Rosa, Priscila Ferrari Silveira; Oostra, Aaron; Thompson, Joe David; ...

    2016-07-05

    In this research, we investigate single crystals of Ce1₋xNdxRhIn5 by means of x-ray-diffraction, microprobe, magnetic susceptibility, heat capacity, and electrical resistivity measurements. Our data reveal that the antiferromagnetic transition of CeRhIn5, at Tmore » $$Ce\\atop{N}$$=3.8 K, is linearly suppressed with xNd. We associate this effect with the presence of a “Kondo hole” created by Nd substitution. The extrapolation of T$$Ce\\atop{N}$$ to zero temperature, however, occurs at xc~0.3, which is below the two-dimensional percolation limit found in Ce1₋xLaxRhIn5. This result strongly suggests the presence of a crystal-field induced magnetic frustration. Near xNd~0.2, the Ising antiferromagnetic order from Nd3+ ions is stabilized and T$$Nd\\atop{N}$$ increases up to 11 K in NdRhIn5. Finally, our results shed light on the effects of magnetic doping in heavy-fermion antiferromagnets and stimulate the study of such systems under applied pressure.« less

  17. High-field magnetic behavior and forced-ferromagnetic state in an ErF e11TiH single crystal

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

    The crystal-field and exchange parameters are determined for the single-crystalline hydride ErF e11TiH compound by analyzing the experimental magnetization curves obtained in magnetic fields of up to 60 T. By using the calculated parameters we succeeded in modeling theoretical magnetization curves for ErF e11TiH up to 200 S and to study in detail the transition from ferrimagnetic to a ferromagnetic state in the applied magnetic field.

  18. A Validation Study of the General Amber Force Field Applied to Energetic Molecular Crystals

    NASA Astrophysics Data System (ADS)

    Bergh, Magnus; Caleman, Carl

    2016-01-01

    Molecula dynamics is a well-established tool to computationally study molecules. However, to reach predictive capability at the level required for applied research and design, extensive validation of the available force fields is pertinent. Here we present a study of density, isothermal compressibility and coefficients of thermal expansion of four energetic materials (FOX-7, RDX, CL-20 and HMX) based on molecular dynamics simulations with the General Amber Force Field (GAFF), and compare the results to experimental measurements from the literature. Furthermore, we quantify the accuracy of the calculated properties through hydrocode simulation of a typical impact scenario. We find that molecular dynamics simulations with generic and computationally efficient force fields may be used to understand and estimate important physical properties of nitramine-like energetic materials.

  19. Cylindrical Ising nanowire with crystal field: existence of a dynamic compensation temperatures

    NASA Astrophysics Data System (ADS)

    Ertaş, Mehmet; Kantar, Ersin

    2015-06-01

    We present a study, within a mean-field theory, of the kinetics of the spin-1 Blume-Capel model on cylindrical Ising nanowire in the presence of a time-dependent oscillating external magnetic field. We employ the Glauber transition rates to construct the mean-field dynamical equations. We investigate the thermal behavior of the dynamic order parameters. From these studies, we obtain the dynamic phase transition (DPT) points. Then, we study the temperature dependence of the dynamic total magnetization to find the dynamic compensation points as well as to determine the type of behavior. We also investigate the effect of interaction parameters on the compensation phenomenon and construct the phase diagrams in four different planes. The system exhibits the compensation temperatures, or the N-, P-, Q-, S-type behaviors. Furthermore, we also observed two-compensation temperatures, namely W-type behaviors, whose result is compared with some experimental works and a good overall agreement is found.

  20. Effects of composition and temperature on the large field behavior of [011]{sub C} relaxor ferroelectric single crystals

    SciTech Connect

    Gallagher, John A.; Lynch, Christopher S.; Tian, Jian

    2014-08-04

    The large field behavior of [011]{sub C} cut relaxor ferroelectric lead indium niobate–lead magnesium niobate–lead titanate, xPb(In{sub 1/2}Nb{sub 1/2})O{sub 3}-(1-x-y)Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}-yPbTiO{sub 3}, single crystals was experimentally characterized in the piezoelectric d{sub 322}-mode configuration under combined mechanical, electrical, and thermal loading. Increasing the concentration of lead indium niobate and decreasing the concentration of lead titanate in compositions near the morphotropic phase boundary resulted in a decrease of mechanical compliance, dielectric permittivity, and piezoelectric coefficients as well as a shift from a continuous to a discontinuous transformation.

  1. Temperature dependence of crystal-field peaks of RbMnF 3 and KMnF 3

    NASA Astrophysics Data System (ADS)

    Rodríguez, F.; Moreno, M.; Dance, J. M.; Tressaud, A.

    1989-01-01

    The influence of temperature on the position of crystal-field peaks of RbMnF 3 and KMnF 3 has been investigated in the 14-550 K range. Upon warming in the 200-550 K range, the 4T1 g( G) peak dependent on 10 Dq experiences a total blue shift of 470 cm -1. It is shown that only 40% of this shift arises from thermal expansion effects, the rest being due to the explicit (∂ E/∂ T) v term. The positive sign of this term is associated to higher vibration frequencies for the 4T1 g( G) state (belonging mainly to the t4e configuration) than for 6A1 g( S) as a result of smaller Mn 2+-F - distances for that excited state. Below 200 K the present data reflect the existence of magnetic and structural (only for KMnF 3) phase transitions in the compounds.

  2. Linkage between separation of Cu2+, Co2+, and Ni2+ on TLC and crystal field theory.

    PubMed

    Ergül, Soner

    2008-01-01

    M(DEDTC)2 (M = Cu, Co, or Ni) and M(PyDTC)2 (M = Cu or Co) complexes prepared by reactions of sodium diethyldithiocarbamate (NaDEDTC) and ammonium pyrrolidinedithiocarbamate (NH4PyDTC) with metal (II) nitrates are examined for qualitative analysis and separation using thin-layer chromatography (TLC) systems in the literature. Already known separability of metal cations cited and their complexes are reexamined and discussed in the context of relation to the crystal field theory (CFT) and TLC as a new approach and adaptation. Because the chromatographic data have been agreed on with assumptions of CFT, it is concluded that CFT is closely related to the TLC separation of these metal cations and their complexes. Therefore, this study may be useful in understanding of the linkage between the CFT on coordination chemistry and the chromatographic parameters [e.g., retention factor (Rf) and theoretical plate numbers (N)] of the complexes.

  3. Phase-field-crystal modeling of glass-forming liquids: spanning time scales during vitrification, aging, and deformation.

    PubMed

    Berry, Joel; Grant, Martin

    2014-06-01

    Two essential elements required to generate a glass transition within phase-field-crystal (PFC) models are outlined based on observed freezing behaviors in various models of this class. The central dynamic features of glass formation in simple binary liquids are qualitatively reproduced across 12 orders of magnitude in time by applying a physically motivated time scaling to previous PFC simulation results. New aspects of the equilibrium phase behavior of the same binary model system are also outlined, aging behavior is explored in the moderate and deeply supercooled regimes, and aging exponents are extracted. General features of the elastic and plastic responses of amorphous and crystalline PFC solids under deformation are also compared and contrasted.

  4. Raman and crystal field studies of Tb-O bonds in TbM n2O5

    NASA Astrophysics Data System (ADS)

    Mansouri, S.; Jandl, S.; Balli, M.; Laverdière, J.; Fournier, P.; Dimitrov, D. Z.

    2016-09-01

    We have studied the temperature dependence of TbM n2O5 Raman-active phonons and its T b3 + crystal field (CF) excitations. Interestingly, the Raman intensities of some phonons are significantly reduced below ˜180 K . Such behaviors are also observed in HoM n2O5 and YM n2O5 systems. A connection between the Raman intensities and the nearest-neighbor mean-square relative displacement σ2 is established. Also, some of the T b3 + and H o3 + CF excitations become broader below ˜180 K . These results are discussed in terms of the disorder induced by the Tb-O bond splitting.

  5. Polarity-sensitive transient patterned state in a twisted nematic liquid crystal driven by very low frequency fields

    NASA Astrophysics Data System (ADS)

    Krishnamurthy, K. S.; Kumar, Pramoda; Kumar, M. Vijay

    2013-02-01

    We report, for a rodlike nematic liquid crystal with small positive dielectric and conductivity anisotropies, and in the 90°-twisted configuration, low frequency (<2 Hz) square wave electric field generated Carr-Helfrich director modulation appearing transiently over a few seconds at each polarity reversal and vanishing almost completely under steady field conditions. Significantly, the instability is polarity sensitive, with the maximum distortion localized in the vicinity of the negative electrode, rather than in the midplane of the layer. This is revealed by the wave vector alternating in the two halves of the driving cycle between the alignment directions at the two substrates. Besides the Carr-Helfrich mechanism, quadrupolar flexoelectric polarization arising under electric field gradient is strongly indicated as being involved in the development of the transient periodic order. Similar transient instability is also observed in other nematic compounds with varying combinations of dielectric and conductivity anisotropies, showing its general nature. The study also deals with various characteristics of the electro-optic effect that emerge from the temporal variation of optical response for different driving voltages, frequencies, and temperatures.

  6. Enantioselective Crystallization of Sodium Chlorate in the Presence of Racemic Hydrophobic Amino Acids and Static Magnetic Fields

    NASA Astrophysics Data System (ADS)

    Zorzano, María-Paz; Osuna-Esteban, Susana; Ruiz-Bermejo, Marta; Menor-Salván, Cesar; Veintemillas-Verdaguer, Sabino

    2014-06-01

    We study the bias induced by a weak (200 mT) external magnetic field on the preferred handedness of sodium chlorate crystals obtained by slow evaporation at ambient conditions of its saturated saline solution with 20 ppm of added racemic (dl) hydrophobic amino acids. By applying the Fisher test to pairs of experiments with opposing magnetic field orientation we conclude, with a confidence level of 99.7%, that at the water-air interface of this saline solution there is an enantioselective magnetic interaction that acts upon racemic mixtures of hydrophobic chiral amino acids. This interaction has been observed with the three tested racemic hydrophobic amino acids: dl-Phe, dl-Try and dl-Trp, at ambient conditions and in spite of the ubiquitous chiral organic contamination. This enantioselective magnetic dependence is not observed when there is only one handedness of added chiral amino-acid, if the added amino acid is not chiral or if there is no additive. This effect has been confirmed with a double blind test. This novel experimental observation may have implications for our view of plausible initial prebiotic scenarios and of the roles of the geomagnetic field in homochirality in the biosphere.

  7. Field Ion Microscopy and Atom Probe Tomography of Metamorphic Magnetite Crystals

    NASA Technical Reports Server (NTRS)

    Kuhlman, K.; Martens, R. L.; Kelly, T. F.; Evans, N. D.; Miller, M. K.

    2001-01-01

    Magnetite has been analysed using Field Ion Microscopy (FIM) and Atom Probe Tomography (APT), highly attractive techniques for the nanoanalysis of geological materials despite the difficulties inherent in analyzing semiconducting and insulating materials. Additional information is contained in the original extended abstract.

  8. Magnetic field induced quantum dot brightening in liquid crystal synergized magnetic and semiconducting nanoparticle composite assemblies

    DOE PAGES

    Amaral, Jose Jussi; Wan, Jacky; Rodarte, Andrea L.; ...

    2014-10-22

    The design and development of multifunctional composite materials from artificial nano-constituents is one of the most compelling current research areas. This drive to improve over nature and produce ‘meta-materials’ has met with some success, but results have proven limited with regards to both the demonstration of synergistic functionalities and in the ability to manipulate the material properties post-fabrication and in situ. Here, magnetic nanoparticles (MNPs) and semiconducting quantum dots (QDs) are co-assembled in a nematic liquid crystalline (LC) matrix, forming composite structures in which the emission intensity of the quantum dots is systematically and reversibly controlled with a small appliedmore » magnetic field (<100 mT). This magnetic field-driven brightening, ranging between a two- to three-fold peak intensity increase, is a truly cooperative effect: the LC phase transition creates the co-assemblies, the clustering of the MNPs produces LC re-orientation at atypical low external field, and this re-arrangement produces compaction of the clusters, resulting in the detection of increased QD emission. These results demonstrate a synergistic, reversible, and an all-optical process to detect magnetic fields and additionally, as the clusters are self-assembled in a fluid medium, they offer the possibility for these sensors to be used in broad ranging fluid-based applications.« less

  9. Magnetic field induced quantum dot brightening in liquid crystal synergized magnetic and semiconducting nanoparticle composite assemblies

    SciTech Connect

    Amaral, Jose Jussi; Wan, Jacky; Rodarte, Andrea L.; Ferri, Christopher; Quint, Makiko T.; Pandolfi, Ronald J.; Scheibner, Michael; Hirst, Linda S.; Ghosh, Sayantani

    2014-10-22

    The design and development of multifunctional composite materials from artificial nano-constituents is one of the most compelling current research areas. This drive to improve over nature and produce ‘meta-materials’ has met with some success, but results have proven limited with regards to both the demonstration of synergistic functionalities and in the ability to manipulate the material properties post-fabrication and in situ. Here, magnetic nanoparticles (MNPs) and semiconducting quantum dots (QDs) are co-assembled in a nematic liquid crystalline (LC) matrix, forming composite structures in which the emission intensity of the quantum dots is systematically and reversibly controlled with a small applied magnetic field (<100 mT). This magnetic field-driven brightening, ranging between a two- to three-fold peak intensity increase, is a truly cooperative effect: the LC phase transition creates the co-assemblies, the clustering of the MNPs produces LC re-orientation at atypical low external field, and this re-arrangement produces compaction of the clusters, resulting in the detection of increased QD emission. These results demonstrate a synergistic, reversible, and an all-optical process to detect magnetic fields and additionally, as the clusters are self-assembled in a fluid medium, they offer the possibility for these sensors to be used in broad ranging fluid-based applications.

  10. Fabrication of graphene field-effect transistor on top of ferroelectric single-crystal substrate

    NASA Astrophysics Data System (ADS)

    Park, Nahee; Kang, Haeyong; Lee, Yourack; Kim, Jeong-Gyun; Kim, Joong-Gyu; Yun, Yoojoo; Park, Jeongmin; Kim, Taesoo; Kim, Jung Ho; Jin, Youngjo; Shin, Yong Seon; Lee, Young Hee; Suh, Dongseok

    2015-03-01

    In the analysis of Graphene field-effect transistor, the substrate material which has the direct contact with Graphene layer plays an important in the device performance. In this presentation, we have tested PMN-PT(i.e.(1-x)Pb(Mg1/3Nb2/3) O3-xPbTiO3) substrate as a gate dielectric of Graphene field-effect transistor. Unlike the case of previously used substrates such as silicon oxide or hexagonal Boron-Nitride(h-BN), the PMN-PT substrate can induce giant amount of surface charge that is directly injected to the attached Graphene layer due to its ferroelectric property. And the hysteresis of polarization versus electric field of PMN-PT can cause the device to show the ferroelectric nonvolatile memory operation. We had successfully fabricated Graphene field-effect transistor using the mechanically exfoliated Graphene layer transferred on the PMN-PT(001) substrate. Unlike the case of mechanical exfoliation on the surface of silicon-oxide or the Poly(methyl methacrylate) (PMMA), the weak adhesion properties between graphene and PMNPT required the pretreatment on PMMA before the exfoliation process. The device performance is analyzed in terms of the effect of ferro- and piezo-electric effect of PMNPT substrate.

  11. Blue-emitting Eu2+-activated LaOX (X = Cl, Br, and I) materials: crystal field effect.

    PubMed

    Kim, Donghyeon; Park, Sangha; Kim, Sungyun; Kang, Seong-Gu; Park, Jung-Chul

    2014-11-17

    Novel blue-emitting LaOBr:Eu(2+) and LaOI:Eu(2+) phosphors have been successfully synthesized and compared to LaOCl:Eu(2+). The emission spectra of LaOX:Eu(2+) (X = Cl, Br, and I) show that the peak maxima change somewhat to the red-shift region; 425 nm for LaOCl:Eu(2+), 427 nm for LaOBr:Eu(2+), and 431 nm for LaOI:Eu(2+), which is quite opposite to one based on spectrochemical series (I(-) < Br(-) < Cl(-)). From diffuse reflectance spectra, the band gap energies for LaOCl, LaOBr, and LaOI host lattice are estimated as 5.53 eV (44,594 cm(-1)), 5.35 eV (43,142 cm(-1)), and 4.82 eV (38,868 cm(-1)), respectively, using the Kubelka-Munk function. For LaOX host lattices, the band gap energies are gradually decreased going from Cl to I as the order of energy levels of np orbitals is Cl 3p < Br 4p < I 5p. A quantum wave function calculation from crystal field theory (CFT) indicates the same tendency with experimental data in the LaOX:Eu(2+) (X = Cl, Br, and I) phosphor materials. With considerations of the radial wave function shape, crystral structure differences and electronegativities among phosphor materials, the splitting energies of 5d orbitals are calculaed; ΔECl = 14,597 cm(-1), ΔEBr = 14,864 cm(-1), ΔEI = 15,001 cm(-1) for LaOX:Eu(2+) (X = Cl, Br, and I). It is noteworthy that the crystal field strength decreases when the interatomic distance decreases, which is probably dependent on the ionic radius of halide ions in the series of LaOX:Eu(2+) phosphor materials.

  12. Crystal field energy levels, spin-Hamiltonian parameters and local structures for the Cr3+ and Mn4+ centers in La3Ga5SiO14 crystals

    NASA Astrophysics Data System (ADS)

    Mei, Yang; Chen, Bo-Wei; Zheng, Wen-Chen; Li, Bang-Xing

    2017-02-01

    The crystal field energy levels (obtained from optical spectra) together with the spin-Hamiltonian parameters g//, g⊥ and D (obtained from EPR spectra) for 3d3 ions Cr3+ and Mn4+ at the trigonal octahedral Ga3+ sites in La3Ga5SiO14 crystals are computed from the complete diagonalization (of energy matrix) method based on the two-spin-orbit-parameter model. The model takes into account the contributions due to the spin-orbit parameter of central dn ion (in the traditional crystal field theory) and that of ligand ions via covalence effect. The calculated results are in rational accord with the experimental values. The calculations also imply that the covalence of (MnO6)8- center in La3Ga5SiO14 crystals is stronger than that of (CrO6)9- center, and the impurity-induced local lattice relaxation for (MnO6)8- center is larger than that for (CrO6)9- cluster because of the larger size and charge mismatch for Mn4+ replacing Ga3+ in La3Ga5SiO14 crystals.

  13. Crystal field and magnetization of canted antiferromagnet CoCO3

    NASA Astrophysics Data System (ADS)

    Meshcheryakov, V. F.

    2007-11-01

    The magnetization of the canted antiferromagnet CoCO3 ( T N = 18.1 K) is calculated in the Weiss molecular field approximation taking into account the microscopic state of the Co2+ ion in the entire range of temperatures and magnetic fields. The values of T N, magnetic susceptibility in the basal plane, and ferromagnetic moment were used as parameters. It is shown that the anisotropy of the g factor and of the exchange interaction at low temperatures ( T < 30 K) including the magnetic ordering temperature is correctly described in the Abragam-Pryce approximation. At high temperatures, the g factor increases and becomes isotropic, but it cannot be described using the Abragam-Pryce approximation. The reasons for g factor variation and the magnitude of the magnetic moment are discussed.

  14. Strain measurement in ferromagnetic crystals using dark-field electron holography

    NASA Astrophysics Data System (ADS)

    Murakami, Yasukazu; Niitsu, Kodai; Kaneko, Syuhei; Tanigaki, Toshiaki; Sasaki, Taisuke; Akase, Zentaro; Shindo, Daisuke; Ohkubo, Tadakatsu; Hono, Kazuhiro

    2016-11-01

    This study proposes a method to separate the geometric phase shift due to lattice strain from the undesired phase information, resulting from magnetic fields that are superposed in the dark-field electron holography (DFEH) observations. Choosing a distinct wave vector for the Bragg reflection reversed the sense of the geometric phase shift, while the sense of the magnetic information remained unchanged. In the case of an Nd-Fe-B permanent magnet, once the unwanted signal was removed by data processing, the residual phase image revealed a strain map. Even though the applications of DFEH have thus far been limited to non-magnetic systems, the method proposed in this work is also applicable to strain measurements in various ferromagnetic systems.

  15. Field induced UV-alignment method for a zero pre-tilt liquid crystal cell

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

    Recently, photo-alignment technology has been the focus of research efforts because lowering the pre-tilt angle is essential for complete elimination of the off-axis light leakage. However, even though photo-alignment can provide zero pre-tilt angle, it has not yet been widely applied in mass production because of its weak surface anchoring, high curing energy, and strong image sticking. In this paper, we demonstrate that the zero pre-tilt angle can be obtained by employing the field-induced UV-alignment method. We have shown electro-optical characteristics and parameters related to the image quality of a fringe-field switching cell fabricated using the proposed method as functions of the monomer concentration and the UV irradiation time.

  16. High-resolution liquid-crystal phase grating formed by fringing fields from interdigitated electrodes.

    PubMed

    Lindquist, R G; Kulick, J H; Nordin, G P; Jarem, J M; Kowel, S T; Friends, M; Leslie, T M

    1994-05-01

    We report the formation of thin anisotropic phase gratings in a nematic liquid-crystalline film by use of lateral (fringing) electric fields induced by transparent interdigitated electrodes. These gratings yield high diffraction efficiency (>30%) with a strong dependence on the readout beam incidence angle. In addition, the formation of a defect wall is observed that has a significant effect on the diffraction properties of the phase grating.

  17. Revealing the consequences and errors of substance arising from the inverse confusion between the crystal (ligand) field quantities and the zero-field splitting ones

    NASA Astrophysics Data System (ADS)

    Rudowicz, Czesław; Karbowiak, Mirosław

    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

  18. Coupled electric fields in photorefractive driven liquid crystal hybrid cells - theory and numerical simulation

    NASA Astrophysics Data System (ADS)

    Moszczyński, P.; Walczak, A.; Marciniak, P.

    2016-12-01

    In cyclic articles previously published we described and analysed self-organized light fibres inside a liquid crystalline (LC) cell contained photosensitive polymer (PP) layer. Such asymmetric LC cell we call a hybrid LC cell. Light fibre arises along a laser beam path directed in plane of an LC cell. It means that a laser beam is parallel to photosensitive layer. We observed the asymmetric LC cell response on an external driving field polarization. Observation has been done for an AC field first. It is the reason we decided to carry out a detailed research for a DC driving field to obtain an LC cell response step by step. The properly prepared LC cell has been built with an isolating layer and garbage ions deletion. We proved by means of a physical model, as well as a numerical simulation that LC asymmetric response strongly depends on junction barriers between PP and LC layers. New parametric model for a junction barrier on PP/LC boundary has been proposed. Such model is very useful because of lack of proper conductivity and charge carriers of band structure data on LC material.

  19. A new real-time non-coherent to coherent light image converter - The hybrid field effect liquid crystal light valve

    NASA Technical Reports Server (NTRS)

    Grinberg, J.; Jacobson, A.; Bleha, W.; Miller, L.; Fraas, L.; Boswell, D.; Myer, G.

    1975-01-01

    A new, high-performance device has been developed for application to real-time coherent optical data processing. The new device embodies a CdS photoconductor, a CdTe light-absorbing layer, a dielectric mirror, and a liquid crystal layer sandwiched between indium-tin-oxide transparent electrodes deposited on optical quality glass flats. The noncoherent image is directed onto the photoconductor; this reduces the impedance of the photoconductor, thereby switching the ac voltage that is impressed across the electrodes onto the liquid crystal to activate the device. The liquid crystal is operated in a hybrid field effect mode. It utilizes the twisted nematic effect to create a dark off-state and the optical birefringence effect to create the bright on-state. The liquid crystal modulates the polarization of the coherent read-out light so an analyzer must be used to create an intensity modulated output beam.

  20. Computational crystallization.

    PubMed

    Altan, Irem; Charbonneau, Patrick; Snell, Edward H

    2016-07-15

    Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one of trial and error. In this article, efforts in the field are discussed together with a theoretical underpinning using a solubility phase diagram. Prior knowledge has been used to develop tools that computationally predict the crystallization outcome and define mutational approaches that enhance the likelihood of crystallization. For the most part these tools are based on binary outcomes (crystal or no crystal), and the full information contained in an assembly of crystallization screening experiments is lost. The potential of this additional information is illustrated by examples where new biological knowledge can be obtained and where a target can be sub-categorized to predict which class of reagents provides the crystallization driving force. Computational analysis of crystallization requires complete and correctly formatted data. While massive crystallization screening efforts are under way, the data available from many of these studies are sparse. The potential for this data and the steps needed to realize this potential are discussed.

  1. Optimization of the GAFF force field to describe liquid crystal molecules: the path to a dramatic improvement in transition temperature predictions.

    PubMed

    Boyd, Nicola Jane; Wilson, Mark R

    2015-10-14

    The physical properties and phase transitions of thermotropic liquid crystals are highly sensitive to small changes in chemical structure. However, these changes are challenging to model, as both the phase diagram and mesophase properties obtained from fully atomistic simulations are strongly dependent on the force field model employed, and the current generation of chemical force fields has not proved accurate enough to provide reliable predictions of transition temperatures for many liquid crystals. This paper presents a strategy for improving the nematic clearing point, TNI, in atomistic simulations, by systematic optimization of the General Amber Force Field (GAFF) for key mesogenic fragments. We show that with careful optimization of the parameters describing a series of liquid crystal fragment molecules, it is possible to transfer these parameters to larger liquid crystal molecules and make accurate predictions for nematic mesophase formation. This new force field, GAFF-LCFF, is used to predict the nematic-isotropic clearing point to within 5 °C for the nematogen 1,3-benzenedicarboxylic acid,1,3-bis(4-butylphenyl)ester, an improvement of 60 °C over the standard GAFF force field.

  2. Photonic crystal carpet: Manipulating wave fronts in the near field at 1.55 μm

    NASA Astrophysics Data System (ADS)

    Scherrer, G.; Hofman, M.; Śmigaj, W.; Kadic, M.; Chang, T.-M.; Mélique, X.; Lippens, D.; Vanbésien, O.; Cluzel, B.; de Fornel, F.; Guenneau, S.; Gralak, B.

    2013-09-01

    Ground-plane cloaks, which transform a curved mirror into a flat one, and recently reported at wavelengths ranging from the optical to the visible spectrum, bring the realm of optical illusion a step closer to reality. However, all carpet-cloaking experiments have thus far been carried out in the far field. Here, we demonstrate numerically and experimentally that a dielectric photonic crystal (PC) of an irregular shape made of a honeycomb array of air holes can scatter waves in the near field like a PC with a flat boundary at stop band frequencies. This mirage effect relies upon a specific arrangement of dielectric pillars placed at the nodes of a quasiconformal grid dressing the PC. Our carpet is experimentally shown to flatten the scattered wave fronts of a PC with a bump throughout the range of wavelengths from 1520 to 1580 nm within the stop band extending from 1280 to 1940 nm. The device has been fabricated using a single-mask advanced nanoelectronics technique on III-V semiconductors and the near field measurements have been carried out in order to image the wave fronts’ curvatures around the telecommunication wavelength 1550 nm. Interestingly, comparisons of our near-field experimental results with full-wave simulations suggest the relatively low aspect ratio of the fabricated carpet (pillars have 200 nm diameter and 2 μm height) makes it inherently three dimensional. Moreover, this carpet is constrained to normal incidence. We therefore propose an elaborated design of the carpet (with pillars of varying radii) which should work at different angles of incidence.

  3. Large-angle and high-efficiency tunable phase grating using fringe field switching liquid crystal.

    PubMed

    Xu, Daming; Tan, Guanjun; Wu, Shin-Tson

    2015-05-04

    We propose a switchable phase grating using fringe field switching (FFS) cells. The FFS phase grating possesses several attractive features: large diffraction angle, high diffraction efficiency, fast response time, and high contrast ratio. It can diffract >32% light to ± 2nd orders with a large diffraction angle of 12.1°. Meanwhile, its response time remains relatively fast even at -40°C. A simulation model is developed to explain the experimental results and good agreement is obtained. We also demonstrate a blazed phase grating to achieve tunable beam steering between 0th, 1st and 2nd orders.

  4. Protein Crystallization

    NASA Technical Reports Server (NTRS)

    Chernov, Alexander A.

    2005-01-01

    Nucleation, growth and perfection of protein crystals will be overviewed along with crystal mechanical properties. The knowledge is based on experiments using optical and force crystals behave similar to inorganic crystals, though with a difference in orders of magnitude in growing parameters. For example, the low incorporation rate of large biomolecules requires up to 100 times larger supersaturation to grow protein, rather than inorganic crystals. Nucleation is often poorly reproducible, partly because of turbulence accompanying the mixing of precipitant with protein solution. Light scattering reveals fluctuations of molecular cluster size, its growth, surface energies and increased clustering as protein ages. Growth most often occurs layer-by-layer resulting in faceted crystals. New molecular layer on crystal face is terminated by a step where molecular incorporation occurs. Quantitative data on the incorporation rate will be discussed. Rounded crystals with molecularly disordered interfaces will be explained. Defects in crystals compromise the x-ray diffraction resolution crucially needed to find the 3D atomic structure of biomolecules. The defects are immobile so that birth defects stay forever. All lattice defects known for inorganics are revealed in protein crystals. Contribution of molecular conformations to lattice disorder is important, but not studied. This contribution may be enhanced by stress field from other defects. Homologous impurities (e.g., dimers, acetylated molecules) are trapped more willingly by a growing crystal than foreign protein impurities. The trapped impurities induce internal stress eliminated in crystals exceeding a critical size (part of mni for ferritin, lysozyme). Lesser impurities are trapped from stagnant, as compared to the flowing, solution. Freezing may induce much more defects unless quickly amorphysizing intracrystalline water.

  5. Comparative study of the absorption spectrum of Li 2CaSiO 4:Cr 4+: First-principles fully relativistic and crystal field calculations

    NASA Astrophysics Data System (ADS)

    Brik, M. G.; Ogasawara, K.

    2007-11-01

    Systematic analysis of the energy level scheme and ground state absorption of the Cr4+ ion in Li2CaSiO4 crystal was performed using the exchange charge model of the crystal field [B.Z. Malkin, in: A.A. Kaplyanskii, B.M. Macfarlane (Eds.), Spectroscopy of Solids Containing Rare-earth Ions, North-Holland, Amsterdam, 1987, pp. 33-50] and recently developed first-principles approach to the analysis of the absorption spectra of impurity ions in crystals based on the discrete variational multielectron (DVME) method [K. Ogasawara, T. Iwata, Y. Koyama, T. Ishii, I. Tanaka, H. Adachi, Phys. Rev. B 64 (2001) 115413]. Using the former method, the values of parameters of crystal field acting on the Cr4+ ion valence electrons were calculated using the Li2CaSiO4 crystal structure data. Energy levels of the Cr4+ ion obtained after diagonalizing the crystal field Hamiltonian are in good agreement with those obtained from the experimental spectra. The latter method is based on the numerical solution of the Dirac equation; therefore, all relativistic effects are automatically considered. As a result, energy level scheme of Cr4+ and its absorption spectra in both polarizations were calculated, assigned and compared with experimental data; energy of the lowest charge transfer transition was evaluated and compared with theoretical predictions for the CrO44- complex available in the literature. The main features of the experimental spectra shape are reproduced well by the calculations. By performing analysis of the molecular orbitals (MO) population, it was shown that the covalent effects play an important role in formation of the spectral properties of Cr4+ ion in the considered crystal.

  6. Dynamic control of mode field diameter and effective area by germanium doping of hexagonal photonic crystal fibers

    NASA Astrophysics Data System (ADS)

    Miyagi, Kazuya; Namihira, Yoshinori; Kasamatsu, Yuho; Hossain, Md. Anwar

    2013-07-01

    We demonstrate dynamic control of the effective area ( A eff) of photonic crystal fibers (PCFs) in the range of 18.1-8.22 μm2 and the mode field diameter in the range of 4.78-3.42 μm. This control was realized by altering their structural properties and varying the germanium (Ge) doping rate, which changed the refractive index difference (Δ n Ge) between 1.0 and 3.0% relative to the refractive index of the silica cladding. This was achieved by adjusting the Ge doping rate in the core and changing the radius ( d core) of the doped region, i.e., by changing the equivalent refractive index, using numerical calculations. Numerical results were verified by comparison with experimental results for a fabricated Gedoped PCF obtained by far-field scanning based on the ITU-T Petermann II definition. The proposed approach will simultaneously decrease Aeff and achieves high light confinement and high nonlinearity in PCFs. It enables architectonics/controllability of highly nonlinear PCFs with passive optical devices in photonic networks and life science applications.

  7. Magnetic structure and crystal-field states of the pyrochlore antiferromagnet Nd2Zr2O7

    NASA Astrophysics Data System (ADS)

    Xu, J.; Anand, V. K.; Bera, A. K.; Frontzek, M.; Abernathy, D. L.; Casati, N.; Siemensmeyer, K.; Lake, B.

    2015-12-01

    We present synchrotron x-ray diffraction, neutron powder diffraction, and time-of-flight inelastic neutron scattering measurements on the rare earth pyrochlore oxide Nd2Zr2O7 to study the ordered state magnetic structure and cystal-field states. The structural characterization by high-resolution synchrotron x-ray diffraction confirms that the pyrochlore structure has no detectable O vacancies or Nd/Zr site mixing. The neutron diffraction reveals long-range all-in/all-out antiferromagnetic order below TN≈0.4 K with propagation vector k = (0 0 0) and an ordered moment of 1.26 (2 ) μB /Nd at 0.1 K. The ordered moment is much smaller than the estimated moment of 2.65 μB /Nd for the local <111 > Ising ground state of Nd3 + (J =9 /2 ) suggesting that the ordering is partially suppressed by quantum fluctuations. The inelastic neutron scattering experiment further confirms the Ising anisotropic ground state of Nd3 + and also reveals its dipolar-octupolar character which possibly induces the quantum fluctuation. The crystal-field level scheme and ground state wave function have been determined.

  8. Evaluation of the OPLS-AA force field for the study of structural and energetic aspects of molecular organic crystals.

    PubMed

    Bernardes, Carlos E S; Joseph, Abhinav

    2015-03-26

    Motivated by the need for reliable experimental data for the assessment of theoretical predictions, this work proposes a data set of enthalpies of sublimation determined for specific crystalline structures, for the validation of molecular force fields (FF). The selected data were used to explore the ability of the OPLS-AA parametrization to investigate the properties of solid materials in molecular dynamics simulations. Furthermore, several approaches to improve this parametrization were also considered. These modifications consisted in replacing the original FF atomic point charges (APC), by values calculated using quantum chemical methods, and by the implementation of a polarizable FF. The obtained results indicated that, in general, the best agreement between theoretical and experimental data is found when the OPLS-AA force field is used with the original APC or when these are replaced by ChelpG charges, computed at the MP2/aug-cc-pVDZ level of theory, for isolated molecules in the gaseous phase. If a good description of the energetic relations between the polymorphs of a compound is required then either the use of polarizable FF or the use of charges determined taking into account the vicinity of the molecules in the crystal (combining the ChelpG and MP2/cc-pVDZ methods) is recommended. Finally, it was concluded that density functional theory methods, like B3LYP or B3PW91, are not advisable for the evaluation of APC of organic compounds for molecular dynamic simulations. Instead, the MP2 method should be considered.

  9. Observation of high field DHVA-effect and induced magnetism in single crystal TiBe/sub 2/

    SciTech Connect

    van Deursen, A.P.J.; van Ruitenbeek, J.M.; Verhoef, W.A.; de Vroomen, A.R.; Smith, J.L.; de Groot, R.A.; Koelling, D.D.; Mueller, F.M.

    1981-01-01

    Recently much interest has been given to itinerant magnetism in cubic Laves phase or C15 materials. Primarily this stems from the discussion of the relationship of p-state pairing and ferromagnetism in ZrZn/sub 2/ by Enz and Matthias, and the possibility of triplet superconductivity. The most recent work in this field has focused on the isoelectronic, isostructural material TiBe/sub 2/, and the possibility that this material is metamagnetic. That TiBe/sub 2/ is close to some form of magnetic instability can be infered indirectly from the peaked nature of its density of states near the fermi level, but also from the observation of ferromagnetism in TiBe/sub 2-x/Cu/sub x/, when x is greater than about 0.15. In this paper a single crystal of pure TiBe/sub 2/ is considered in fields larger than 15 Tesla (T) and at a temperature of 1.3/sup 0/K.

  10. Magnetic structure and crystal-field states of the pyrochlore antiferromagnet Nd2Zr2O7

    DOE PAGES

    Xu, J.; Anand, V. K.; Bera, A. K.; ...

    2015-12-28

    In this paper, we present synchrotron x-ray diffraction, neutron powder diffraction, and time-of-flight inelastic neutron scattering measurements on the rare earth pyrochlore oxide Nd2Zr2O7 to study the ordered state magnetic structure and cystal-field states. The structural characterization by high-resolution synchrotron x-ray diffraction confirms that the pyrochlore structure has no detectable O vacancies or Nd/Zr site mixing. The neutron diffraction reveals long-range all-in/all-out antiferromagnetic order below TN≈0.4 K with propagation vector k = (0 0 0) and an ordered moment of 1.26(2) μB/Nd at 0.1 K. The ordered moment is much smaller than the estimated moment of 2.65μB/Nd for the localmore » <111> Ising ground state of Nd3+ (J=9/2) suggesting that the ordering is partially suppressed by quantum fluctuations. The inelastic neutron scattering experiment further confirms the Ising anisotropic ground state of Nd3+ and also reveals its dipolar-octupolar character which possibly induces the quantum fluctuation. Lastly, the crystal-field level scheme and ground state wave function have been determined.« less

  11. Effect of electric field and temperature gradient on the orientational dynamics of liquid crystals in a microvolume cylindrical cavity

    NASA Astrophysics Data System (ADS)

    Zakharov, A. V.; Vakulenko, A. A.; Romano, Silvano

    2009-10-01

    We have considered a homogeneously aligned liquid crystal (HALC) microvolume confined between two infinitely long horizontal coaxial cylinders and investigated dynamic field pumping, i.e., studied the interactions between director, velocity, and electric E fields as well as a radially applied temperature gradient ∇T, where the inner cylinder is kept at a lower temperature than the outer one. In order to elucidate the role of ∇T in producing hydrodynamic flow u, we have carried out a numerical study of a system of hydrodynamic equations including director reorientation, fluid flow, and temperature redistribution across the HALC cavity. Calculations show that only under the influence of ∇T does the initially quiescent HALC sample settle down to a stationary flow regime with horizontal component of velocity ueq(r). The effects of ∇T and of the size of the HALC cavity on magnitude and direction of ueq(r) have been investigated for a number of hydrodynamic regimes. Calculations also showed that E influences only the director redistribution across the HALC but not the magnitude of the velocity ueq(r).

  12. Realization of Multi-Stable Ground States in a Nematic Liquid Crystal by Surface and Electric Field Modification

    NASA Astrophysics Data System (ADS)

    Gwag, Jin Seog; Kim, Young-Ki; Lee, Chang Hoon; Kim, Jae-Hoon

    2015-06-01

    Owing to the significant price drop of liquid crystal displays (LCDs) and the efforts to save natural resources, LCDs are even replacing paper to display static images such as price tags and advertising boards. Because of a growing market demand on such devices, the LCD that can be of numerous surface alignments of directors as its ground state, the so-called multi-stable LCD, comes into the limelight due to the great potential for low power consumption. However, the multi-stable LCD with industrial feasibility has not yet been successfully performed. In this paper, we propose a simple and novel configuration for the multi-stable LCD. We demonstrate experimentally and theoretically that a battery of stable surface alignments can be achieved by the field-induced surface dragging effect on an aligning layer with a weak surface anchoring. The simplicity and stability of the proposed system suggest that it is suitable for the multi-stable LCDs to display static images with low power consumption and thus opens applications in various fields.

  13. Liquid crystal-gated-organic field-effect transistors with in-plane drain-source-gate electrode structure.

    PubMed

    Seo, Jooyeok; Nam, Sungho; Jeong, Jaehoon; Lee, Chulyeon; Kim, Hwajeong; Kim, Youngkyoo

    2015-01-14

    We report planar liquid crystal-gated-organic field-effect transistors (LC-g-OFETs) with a simple in-plane drain-source-gate electrode structure, which can be cost-effectively prepared by typical photolithography/etching processes. The LC-g-OFET devices were fabricated by forming the LC layer (4-cyano-4'-pentylbiphenyl, 5CB) on top of the channel layer (poly(3-hexylthiophene), P3HT) that was spin-coated on the patterned indium-tin oxide (ITO)-coated glass substrates. The LC-g-OFET devices showed p-type transistor characteristics, while a current saturation behavior in the output curves was achieved for the 50-150 nm-thick P3HT (channel) layers. A prospective on/off ratio (>1 × 10(3)) was obtained regardless of the P3HT thickness, whereas the resulting hole mobility (0.5-1.1 cm(2)/(V s)) at a linear regime was dependent on the P3HT thickness. The tilted ordering of 5CB at the LC-P3HT interfaces, which is induced by the gate electric field, has been proposed as a core point of working mechanism for the present LC-g-OFETs.

  14. Realization of Multi-Stable Ground States in a Nematic Liquid Crystal by Surface and Electric Field Modification

    PubMed Central

    Gwag, Jin Seog; Kim, Young-Ki; Lee, Chang Hoon; Kim, Jae-Hoon

    2015-01-01

    Owing to the significant price drop of liquid crystal displays (LCDs) and the efforts to save natural resources, LCDs are even replacing paper to display static images such as price tags and advertising boards. Because of a growing market demand on such devices, the LCD that can be of numerous surface alignments of directors as its ground state, the so-called multi-stable LCD, comes into the limelight due to the great potential for low power consumption. However, the multi-stable LCD with industrial feasibility has not yet been successfully performed. In this paper, we propose a simple and novel configuration for the multi-stable LCD. We demonstrate experimentally and theoretically that a battery of stable surface alignments can be achieved by the field-induced surface dragging effect on an aligning layer with a weak surface anchoring. The simplicity and stability of the proposed system suggest that it is suitable for the multi-stable LCDs to display static images with low power consumption and thus opens applications in various fields. PMID:26100597

  15. Optical switching of nematic liquid crystal film arising from induced electric field of localized surface plasmon resonance

    NASA Astrophysics Data System (ADS)

    Quint, Makiko T.; Delgado, Silverio; Paredes, John H.; Hirst, Linda S.; Ghosh, Sayantani

    2015-08-01

    We have developed an all-optical method to control the in- and out-of-plane spatial orientation of nematic liquid crystal (NLC) molecules by leveraging the highly localized electric fields produced in the near-field regime of gold nanoparticle (AuNP) layers. A 1-2 micron thick NLC film is deposited on a close-packed drop-cast AuNP layer, excited with tunable optical sources and the transmission of white light through it analyzed using polarization optics as a function of incident light wavelength, excitation power and sample temperature. Our findings, supported by simulations using discrete-dipole approximations, establish the optical switching effect to be repeatable, reversible, spectrally-selective, operational over a broad temperature range, including room temperature, and requiring very small on-resonance excitation intensity (0.3 W/cm2). For the case of the in-plane switching we have additionally demonstrated that controlling the incident excitation polarization can continuously vary the alignment of the NLC molecules, allowing for grayscale transmission.

  16. Molecular structure and elastic properties of thermotropic liquid crystals: integrated molecular dynamics--statistical mechanical theory vs molecular field approach.

    PubMed

    Ilk Capar, M; Nar, A; Ferrarini, A; Frezza, E; Greco, C; Zakharov, A V; Vakulenko, A A

    2013-03-21

    The connection between the molecular structure of liquid crystals and their elastic properties, which control the director deformations relevant for electro-optic applications, remains a challenging objective for theories and computations. Here, we compare two methods that have been proposed to this purpose, both characterized by a detailed molecular level description. One is an integrated molecular dynamics-statistical mechanical approach, where the bulk elastic constants of nematics are calculated from the direct correlation function (DCFs) and the single molecule orientational distribution function [D. A. McQuarrie, Statistical Mechanics (Harper & Row, New York, 1973)]. The latter is obtained from atomistic molecular dynamics trajectories, together with the radial distribution function, from which the DCF is then determined by solving the Ornstein-Zernike equation. The other approach is based on a molecular field theory, where the potential of mean torque experienced by a mesogen in the liquid crystal phase is parameterized according to its molecular surface. In this case, the calculation of elastic constants is combined with the Monte Carlo sampling of single molecule conformations. Using these different approaches, but the same description, at the level of molecular geometry and torsional potentials, we have investigated the elastic properties of the nematic phase of two typical mesogens, 4'-n-pentyloxy-4-cyanobiphenyl and 4'-n-heptyloxy-4-cyanobiphenyl. Both methods yield K3(bend) >K1 (splay) >K2 (twist), although there are some discrepancies in the average elastic constants and in their anisotropy. These are interpreted in terms of the different approximations and the different ways of accounting for the structural properties of molecules in the two approaches. In general, the results point to the role of the molecular shape, which is modulated by the conformational freedom and cannot be fully accounted for by a single descriptor such as the aspect ratio.

  17. Molecular structure and elastic properties of thermotropic liquid crystals: Integrated molecular dynamics—Statistical mechanical theory vs molecular field approach

    NASA Astrophysics Data System (ADS)

    Capar, M. Ilk; Nar, A.; Ferrarini, A.; Frezza, E.; Greco, C.; Zakharov, A. V.; Vakulenko, A. A.

    2013-03-01

    The connection between the molecular structure of liquid crystals and their elastic properties, which control the director deformations relevant for electro-optic applications, remains a challenging objective for theories and computations. Here, we compare two methods that have been proposed to this purpose, both characterized by a detailed molecular level description. One is an integrated molecular dynamics-statistical mechanical approach, where the bulk elastic constants of nematics are calculated from the direct correlation function (DCFs) and the single molecule orientational distribution function [D. A. McQuarrie, Statistical Mechanics (Harper & Row, New York, 1973)]. The latter is obtained from atomistic molecular dynamics trajectories, together with the radial distribution function, from which the DCF is then determined by solving the Ornstein-Zernike equation. The other approach is based on a molecular field theory, where the potential of mean torque experienced by a mesogen in the liquid crystal phase is parameterized according to its molecular surface. In this case, the calculation of elastic constants is combined with the Monte Carlo sampling of single molecule conformations. Using these different approaches, but the same description, at the level of molecular geometry and torsional potentials, we have investigated the elastic properties of the nematic phase of two typical mesogens, 4'-n-pentyloxy-4-cyanobiphenyl and 4'-n-heptyloxy-4-cyanobiphenyl. Both methods yield K3(bend) >K1 (splay) >K2 (twist), although there are some discrepancies in the average elastic constants and in their anisotropy. These are interpreted in terms of the different approximations and the different ways of accounting for the structural properties of molecules in the two approaches. In general, the results point to the role of the molecular shape, which is modulated by the conformational freedom and cannot be fully accounted for by a single descriptor such as the aspect ratio.

  18. Effect of rotating magnetic field on thermocapillary flow stability and the FZ crystal growth on the ground and in space

    NASA Astrophysics Data System (ADS)

    Feonychev, A. I.

    It is well known that numerous experiments on crystal growth by the Bridgman method in space had met with only limited success. Because of this, only floating zone method is promising at present. However, realization of this method demands solution of some problems, in particular reduction of dopant micro- and macrosegregation. Rotating magnetic field is efficient method for control of flow in electrically conducting fluid and transfer processes. Investigation of rotating magnetic field had initiated in RIAME MAI in 1994 /3/. Results of the last investigations had been presented in /4/. Mathematical model of flow generated by rotating magnetic field and computer program were verified by comparison with experiment in area of developed oscillatory flow. Nonlinear analysis of flow stability under combination of thermocapillary convection and secondary flow generated by rotating magnetic field shows that boundary of transition from laminar to oscillatory flow is nonmonotone function in the plane of Marangoni number (Ma) - combined parameter Reω Ha2 (Ha is Hartman number, Reω is dimensionless velocity of magnetic field rotation). These data give additional knowledge of mechanism of onset of oscillations. In this case, there is reason to believe that the cause is Eckman's viscous stresses in rotating fluid on solid end-walls. It was shown that there is a possibility to increase stability of thermocapillary convection and in doing so to remove the main cause of dopant microsegregation. In doing so, if parameters of rotating magnetic field had been incorrectly chosen the dangerous pulsating oscillations are to develop. Radial macrosegregation of dopant can result from correct choosing of parameters of rotating magnetic field. As example, optimization of rotating magnetic field had been carried out for Ge(Ga) under three values of Marangoni number in weightlessness conditions. In the case when rotating magnetic field is used in terrestrial conditions, under combination of

  19. Mueller matrix ellipsometry studies of the optical phonons and crystal field excitations in multiferroic orthoferrites RFeO3 (R=Tb,Dy)

    NASA Astrophysics Data System (ADS)

    Martinez, V. A.; Stanislavchuk, T. N.; Sirenko, A. A.; Litvinchuk, A. P.; Wang, Yazhong; Cheong, S. W.

    Optical properties of multiferroic orthoferrites RFeO3 (R=Tb,Dy) bulk crystals have been studied in the far-infrared range from 50 to 1000 cm-1 and temperatures from 7 K to 300 K. Mueller matrix and rotating analyzer ellipsometry measurements were carried out at the U4IR beamline of the National Synchrotron Light Source at Brookhaven National Lab. Optical phonon spectra and crystal field excitations were measured for all three orthorhombic axes of RFeO3. In the experimental temperature dependencies of the phonon frequencies we found non-Grüneisen behavior caused by the electron-phonon and spin-phonon interactions. We determined the symmetries and selection rules for the crystal field transitions in Tb3+ and Dy3+ ions. Magnetic field dependencies of the optical spectra allowed us to determine anisotropy of the crystal field g-factors for Tb3+ and Dy3+ ions. This Project is supported by collaborative DOE Grant DE-FG02-07ER46382 between Rutgers U. and NJIT. Use of NSLS-BNL was supported by DOE DE-AC02-98CH10886. V.A. Martinez was supported by NEU NSF-1343716.

  20. Simultaneously optimizing fluorescent and paramagnetic properties of bifunctional NaGdF{sub 4}:Yb{sup 3+}/Er{sup 3+} nanocrystals by crystal field tuning

    SciTech Connect

    Wu, Xiaofeng; Hu, Shigang; Tan, Congbing; Liu, Yunxin

    2015-04-15

    Graphical abstract: Crystal field tuning is a powerful approach for simultaneously enhancing the optical and magnetic properties of lanthanide-doped NaGdF{sub 4} bi-functional nanocrystals. - Abstract: Here, we show the simultaneous enhancement of fluorescent and paramagnetic properties in bifunctional NaGdF{sub 4}:Yb{sup 3+}/Er{sup 3+} nanocrystals by crystal field tuning. The energy level splitting calculation indicates, that lanthanide ionic pairs La{sup 3+}/Lu{sup 3+} introduced into the NaGdF{sub 4} host can modify the crystal field around emitters (e.g., Er{sup 3+} and Tm{sup 3+}) and sensitizers (e.g., Yb{sup 3+}) that result in the broadening of crystal field splitting of energy levels and the abundant multi-site distribution of upconversion luminescence. The optimization of the paramagnetic properties in NaGdF{sub 4} doped with emitters and sensitizers is ascribed to the lowering of anti-ferromagnetic coupling.

  1. Quenched crystal-field disorder and magnetic liquid ground states in Tb2Sn2-xTixO7 [Crystal field disorder in the quantum spin ice ground state of Tb2Sn2-xTixO7

    DOE PAGES

    Gaulin, B. D.; Kermarrec, E.; Dahlberg, M. L.; ...

    2015-06-01

    Solid-solutions of the "soft" quantum spin ice pyrochlore magnets Tb2B2O7 with B=Ti and Sn display a novel magnetic ground state in the presence of strong B-site disorder, characterized by a low susceptibility and strong spin fluctuations to temperatures below 0.1 K. These materials have been studied using ac-susceptibility and muSR techniques to very low temperatures, and time-of-flight inelastic neutron scattering techniques to 1.5 K. Remarkably, neutron spectroscopy of the Tb3+ crystal field levels appropriate to at high B-site mixing (0.5 < x < 1.5 in Tb2Sn2-xTixO7) reveal that the doublet ground and first excited states present as continua in energy,more » while transitions to singlet excited states at higher energies simply interpolate between those of the end members of the solid solution. The resulting ground state suggests an extreme version of a random-anisotropy magnet, with many local moments and anisotropies, depending on the precise local configuration of the six B sites neighboring each magnetic Tb3+ ion.« less

  2. Crystal Field Study of Gd(3+)-Doped La(x)RE(1-x)F3 (RE=Ce,Pr,Nd) Single Crystals

    DTIC Science & Technology

    2001-01-01

    the vacuum ultraviolet:LalCeF 3 " Appl. Optics 12, pp. 138-139, 1973. 6. W. Korczak and P. Mikolajczak , "Crystal growth and temperature variation of...spin-phonon interactions and spin-lattice relaxations" Acta Phys. Pol. A 95, pp. 367-380, 1999. 12. L. E. Misiak, S. K. Misra and P. Mikolajczak

  3. Magnetic Field Induced Phase Transitions in Gd5(Si1.95Ge2.05)Single Crystal and the Anisotropic Magnetocaloric Effect

    SciTech Connect

    H. Tang; V.K. Pecharsky; A.O. Pecharsky; D.L. Schlagel; T.A. Lograsso; K.A. Gschneidner,jr.

    2004-09-30

    The magnetization measurements using a Gd{sub 5}(Si{sub 1.95}Ge{sub 2.05}) single crystal with the magnetic field applied along three crystallographic directions, [001], [010] and [100], were carried out as function of applied field (0-56 kOe) at various temperatures ({approx}5-320 K). The magnetic-field induced phase transformations at temperature above the zero-field critical temperature, i.e. the paramagnetic (PM) {leftrightarrow} ferromagnetic (FM) transitions with application or removal of magnetic field, are found to be temperature dependent and hysteretic. The corresponding critical fields increase with increasing temperature. The magnetic field (H)-temperature (T) phase diagrams have been constructed for the Gd{sub 5}(Si{sub 1.95}Ge{sub 2.05}) single crystal with field along the three directions. A small anisotropy has been observed. The magnetocaloric effect (MCE) has been calculated from the isothermal magnetization data, and the observed anisotropy correlates with H-T phase diagrams. The results are discussed in connection with the magnetic-field induced martensitic-like structural transition observed in the Gd{sub 5}(Si{sub 2}Ge{sub 2})-type compounds.

  4. Switching ferroelectric domain configurations using both electric and magnetic fields in Pb(Zr,Ti)O3–Pb(Fe,Ta)O3 single-crystal lamellae

    PubMed Central

    Evans, D. M.; Schilling, A.; Kumar, Ashok; Sanchez, D.; Ortega, N.; Katiyar, R. S.; Scott, J. F.; Gregg, J. M.

    2014-01-01

    Thin single-crystal lamellae cut from Pb(Zr,Ti)O3–Pb(Fe,Ta)O3 ceramic samples have been integrated into simple coplanar capacitor devices. The influence of applied electric and magnetic fields on ferroelectric domain configurations has been mapped, using piezoresponse force microscopy. The extent to which magnetic fields alter the ferroelectric domains was found to be strongly history dependent: after switching had been induced by applying electric fields, the susceptibility of the domains to change under a magnetic field (the effective magnetoelectric coupling parameter) was large. Such large, magnetic field-induced changes resulted in a remanent domain state very similar to the remanent state induced by an electric field. Subsequent magnetic field reversal induced more modest ferroelectric switching. PMID:24421376

  5. Crystal-field-driven redox reactions: How common minerals split H2O and CO2 into reduced H2 and C plus oxygen

    NASA Technical Reports Server (NTRS)

    Freund, F.; Batllo, F.; Leroy, R. C.; Lersky, S.; Masuda, M. M.; Chang, S.

    1991-01-01

    It is difficult to prove the presence of molecular H2 and reduced C in minerals containing dissolved H2 and CO2. A technique was developed which unambiguously shows that minerals grown in viciously reducing environments contain peroxy in their crystal structures. The peroxy represent interstitial oxygen atoms left behind when the solute H2O and/or CO2 split off H2 and C as a result of internal redox reactions, driven by the crystal field. The observation of peroxy affirms the presence of H2 and reduced C. It shows that the solid state is indeed an unusual reaction medium.

  6. Analyzing the propagating waves in the two-dimensional photonic crystal by the decoupled internal-field expansion method

    NASA Astrophysics Data System (ADS)

    Pei, Ting-Hang; Huang, Yang-Tung

    2012-03-01

    We propose the decoupled internal-field expansion (IFE) method to discuss refractions in the photonic crystal (PhC). This method decouples the full wave in the PhC and classifies them into two categories including the forward-propagating and backward-propagating waves denoted by the index n. A triangular-PhC case is demonstrated and both positive and negative refractions are discussed by this method. The incident angle of 10° results in the positive refracted wave with the refracted angle about 8°, which approximately corresponds to the forward wave of n=0 order. The negative refracted waves, which exist in the left and right edge regions, propagate almost parallel to the interfaces between the PhC and outside media. Meanwhile, due to the interaction between the negative refracted wave and the nearest few rows of air cylinders, the reflected wave and another weaker negative refracted wave are created. Finally, the weaker negative refracted waves from both edge regions interfere with each other in the middle region. It is found out that the negative refracted waves in edge regions as well as the interfered wave in the middle region can be constructed by two n=-1 forward and backward waves. On the other hand, the positive refracted wave is composed of the n=0 forward wave dressed other n≠0 forward waves, the propagation angle is affected by these dressed waves, especially near the edge region. Finally, another case proves this point of view explicitly.

  7. Pattern Dynamics in the Electrohydrodynamics of Nematic Liquid Crystals ---Defect Patterns, Transition to Turbulence and Magnetic Field Effects---

    NASA Astrophysics Data System (ADS)

    Kai, S.; Zimmermann, W.

    Various patterns in the electrohydrodynamic convection of planarly aligned nematic liquid crystals are investigated. We give experimental and theoretical results on the onset of convection in the conduction regime and the dielectric regime as well. The transition to the fluctuating Williams domain (FWD) immediately above the onset of convection in the conduction regime is characterized in detail. At this secondary threshold the straight rolls become unstable and defects appear. During the temporal development of the FWD, defects are continuously created and annihilated, and the defect density behaves rather stochastical in time. At even higher values of the applied voltage we investigate the transition between the two turbulent states DSM1 and DSM2 which has some analogy with TI-TII transition in superfluid HeII. DSM 2 turbulence can be characterized by disclination and therefore called disclination turbulence. We show that this transition is local via nucleation and that the main difference between both states is the vanishing disclination density in the DSM1 state and its finite value in the DSM2. In the high frequency regime we analyse the secondary transition to chevrons and the defect dynamics in this pattern as a periodic defect structure. Furthermore, the influence of a superimposingly applied magnetic field on these patterns is considered.

  8. Core-level Photoemission Study for Cuprates with a Dynamical Mean-Field Approach Considering Realistic Crystal Structure

    NASA Astrophysics Data System (ADS)

    Hariki, Atsushi; Uozumi, Takayuki

    2013-03-01

    Recently, remarkable experimental progress reveals some characteristic spectral features in the 2p3/2main line of Cu 2p core-level X-ray photoemission spectra (XPS). The structures show strong material dependence and drastic changes for electron or hole doping. Van Veenendaal et al., pointed out that the main line shape is strongly affected by the so-called nonlocal screening which is accompanied by a formation of a Zhang-Rice singlet (ZRS) in the XPS final state. On the other hand, Taguchi et al., shows these features are reproduced by introducing an phenomenological extended impurity model. We consider that this topic on 2pXPS of cuprates still remain controversial. In this study, we propose another approach based on the dynamical mean field theory(DMFT) considering the realistic crystal structure. Many-particle effects including the ZRS is appropriately embedded in the hybridization function of a single impurity Anderson model through the DMFT self-consistent cycle. Our approach reproduces experimental results and shows that the Cu 2p3/2 main line is closely related with the quasi-particle structure near the Fermi energy.

  9. Neutron spectroscopic study of Crystal-field excitation in Yb2 (Ti2 - x Ybx) O7 -x/2

    NASA Astrophysics Data System (ADS)

    Gaudet, Jonathan; Maharaj, Dalini; Kermarrec, Edwin; Granroth, Garrett; Ross, Kate; Dabowska, Hanna; Gaulin, Bruce

    2015-03-01

    Among the rare-earth titanate pyrochlores, Yb2 Ti2O7 has attracted much attention as a potential realization of a quantum spin ice. While strong quantum effects are absent in classical spin ice compounds, they are thought to be significant in Yb2 Ti2O7 because of its effective spin S=1/2 and its XY spin anisotropy, quantities both determined by the Crystal-Electric Field (CEF) levels. However, a thorough neutron spectroscopy study of the CEF levels is still lacking. Here, we report time-of-flight inelastic neutron scattering measurements on Yb2 Ti2O7 . Our results lead to the unambiguous determination of the CEF levels, the ground-state wavefunction and therefore the nature of the spin anisotropy of the J=7/2 Yb3+ . A significant sample dependence in the low temperature heat capacity has been reported and attributed to an excess of Yb3+ (''stuffing'') in the structure. Our measurements, carried out on two well-characterized samples with different levels of stuffing, allow us to discuss the impact of such disorder on the CEF levels.

  10. Crystal electric field excitations in the quasicrystal approximant TbCd6 studied by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Das, Pinaki; Lory, P.-F.; Flint, R.; Kong, T.; Hiroto, T.; Bud'ko, S. L.; Canfield, P. C.; de Boissieu, M.; Kreyssig, A.; Goldman, A. I.

    2017-02-01

    We have performed inelastic neutron scattering measurements on powder samples of the quasicrystal approximant, TbCd6, grown using isotopically enriched 112Cd. Both quasielastic scattering and distinct inelastic excitations were observed below 3 meV. The intensity of the quasielastic scattering measured in the paramagnetic phase diverges as TN˜22 K is approached from above. The inelastic excitations, and their evolution with temperature, are well characterized by the leading term, B20O20 , of the crystal electric field (CEF) level scheme for local pentagonal symmetry for the rare-earth ions [S. Jazbec et al., Phys. Rev. B 93, 054208 (2016), 10.1103/PhysRevB.93.054208] indicating that the Tb moment is directed primarily along the unique local pseudofivefold axis of the Tsai-type clusters. We also find good agreement between the inverse susceptibility determined from magnetization measurements using a magnetically diluted Tb0.05Y0.95Cd6 sample and that calculated using the CEF level scheme determined from the neutron measurements.

  11. Coupled Crystal Plasticity-Phase Field Fracture Simulation Study on Damage Evolution Around a Void: Pore Shape Versus Crystallographic Orientation

    NASA Astrophysics Data System (ADS)

    Diehl, Martin; Wicke, Marcel; Shanthraj, Pratheek; Roters, Franz; Brueckner-Foit, Angelika; Raabe, Dierk

    2017-03-01

    Various mechanisms such as anisotropic plastic flow, damage nucleation, and crack propagation govern the overall mechanical response of structural materials. Understanding how these mechanisms interact, i.e. if they amplify mutually or compete with each other, is an essential prerequisite for the design of improved alloys. This study shows—by using the free and open source software DAMASK (the Düsseldorf Advanced Material Simulation Kit)—how the coupling of crystal plasticity and phase field fracture methods can increase the understanding of the complex interplay between crystallographic orientation and the geometry of a void. To this end, crack initiation and propagation around an experimentally obtained pore with complex shape is investigated and compared to the situation of a simplified spherical void. Three different crystallographic orientations of the aluminum matrix hosting the defects are considered. It is shown that crack initiation and propagation depend in a non-trivial way on crystallographic orientation and its associated plastic behavior as well as on the shape of the pore.

  12. Precise Characterisation of Molecular Orientation in a Single Crystal Field-Effect Transistor Using Polarised Raman Spectroscopy

    PubMed Central

    Wood, Sebastian; Rigas, Grigorios-Panagiotis; Zoladek-Lemanczyk, Alina; Blakesley, James C.; Georgakopoulos, Stamatis; Mas-Torrent, Marta; Shkunov, Maxim; Castro, Fernando A.

    2016-01-01

    Charge transport in organic semiconductors is strongly dependent on the molecular orientation and packing, such that manipulation of this molecular packing is a proven technique for enhancing the charge mobility in organic transistors. However, quantitative measurements of molecular orientation in micrometre-scale structures are experimentally challenging. Several research groups have suggested polarised Raman spectroscopy as a suitable technique for these measurements and have been able to partially characterise molecular orientations using one or two orientation parameters. Here we demonstrate a new approach that allows quantitative measurements of molecular orientations in terms of three parameters, offering the complete characterisation of a three-dimensional orientation. We apply this new method to organic semiconductor molecules in a single crystal field-effect transistor in order to correlate the measured orientation with charge carrier mobility measurements. This approach offers the opportunity for micrometre resolution (diffraction limited) spatial mapping of molecular orientation using bench-top apparatus, enabling a rational approach towards controlling this orientation to achieve optimum device performance. PMID:27619423

  13. Crystal Field Splitting is Limiting the Stability and Strength of Ultra-incompressible Orthorhombic Transition Metal Tetraborides

    PubMed Central

    Zhang, R. F.; Wen, X. D.; Legut, D.; Fu, Z. H.; Veprek, S.; Zurek, E.; Mao, H. K.

    2016-01-01

    The lattice stability and mechanical strengths of the supposedly superhard transition metal tetraborides (TmB4, Tm = Cr, Mn and Fe) evoked recently much attention from the scientific community due to the potential applications of these materials, as well as because of general scientific interests. In the present study, we show that the surprising stabilization of these compounds from a high symmetry to a low symmetry structure is accomplished by an in-plane rotation of the boron network, which maximizes the in-plane hybridization by crystal field splitting between d orbitals of Tm and p orbitals of B. Studies of mechanical and electronic properties of TmB4 suggest that these tetraborides cannot be intrinsically superhard. The mechanical instability is facilitated by a unique in-plane or out-of-plane weakening of the three-dimensional covalent bond network of boron along different shear deformation paths. These results shed a novel view on the origin of the stability and strength of orthorhombic TmB4, highlighting the importance of combinational analysis of a variety of parameters related to plastic deformation of the crystalline materials when attempting to design new ultra-incompressible, and potentially strong and hard solids. PMID:26976479

  14. CRYSTALLIZATION IN MULTICOMPONENT GLASSES

    SciTech Connect

    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.

  15. Pyroelectric field assisted ion migration induced by ultraviolet laser irradiation and its impact on ferroelectric domain inversion in lithium niobate crystals

    SciTech Connect

    Ying, C. Y. J.; Mailis, S.; Daniell, G. J.; Steigerwald, H.; Soergel, E.

    2013-08-28

    The impact of UV laser irradiation on the distribution of lithium ions in ferroelectric lithium niobate single crystals has been numerically modelled. Strongly absorbed UV radiation at wavelengths of 244–305 nm produces steep temperature gradients which cause lithium ions to migrate and result in a local variation of the lithium concentration. In addition to the diffusion, here the pyroelectric effect is also taken into account which predicts a complex distribution of lithium concentration along the c-axis of the crystal: two separated lithium deficient regions on the surface and in depth. The modelling on the local lithium concentration and the subsequent variation of the coercive field are used to explain experimental results on the domain inversion of such UV treated lithium niobate crystals.

  16. Crystallization of rubrene on a nanopillar-templated surface by the melt-recrystallization process and its application in field-effect transistors.

    PubMed

    Ho, Chi-Chih; Tao, Yu-Tai

    2015-01-11

    We present an approach to fabricate a continuous and crystalline rubrene film using the melt-recrystallization process with the assistance of a silicon nanopillar template. Better film morphology, enhanced crystallinity, and mainly oriented crystallites with the c-axis of the orthorhombic rubrene aligning parallel to the nanopillars were obtained as compared to that on a planar substrate. The oriented crystal growth is further modulated by the surface modification. It is suggested that the sidewalls of nanopillars play a key role in mediating the switch of crystal orientation and crystal growth. The obtained nanopillar-templated rubrene film was used to fabricate a vertical field-effect transistor. The device gave a current density of 78 mA cm(-2), on-off ratio around 10(3-4), subthreshold swing of 89.1 mV per decade and transconductance of 154.9 mS cm(-2) on an ODTS-modified substrate surface.

  17. A decoupled energy stable scheme for a hydrodynamic phase-field model of mixtures of nematic liquid crystals and viscous fluids

    NASA Astrophysics Data System (ADS)

    Zhao, Jia; Yang, Xiaofeng; Shen, Jie; Wang, Qi

    2016-01-01

    We develop a linear, first-order, decoupled, energy-stable scheme for a binary hydrodynamic phase field model of mixtures of nematic liquid crystals and viscous fluids that satisfies an energy dissipation law. We show that the semi-discrete scheme in time satisfies an analogous, semi-discrete energy-dissipation law for any time-step and is therefore unconditionally stable. We then discretize the spatial operators in the scheme by a finite-difference method and implement the fully discrete scheme in a simplified version using CUDA on GPUs in 3 dimensions in space and time. Two numerical examples for rupture of nematic liquid crystal filaments immersed in a viscous fluid matrix are given, illustrating the effectiveness of this new scheme in resolving complex interfacial phenomena in free surface flows of nematic liquid crystals.

  18. Improved performance of HgCdTe infrared detector focal plane arrays by modulating light field based on photonic crystal structure

    SciTech Connect

    Liang, Jian; Hu, Weida Ye, Zhenhua; Li, Zhifeng; Chen, Xiaoshuang Lu, Wei; Liao, Lei

    2014-05-14

    An HgCdTe long-wavelength infrared focal plane array photodetector is proposed by modulating light distributions based on the photonic crystal. It is shown that a promising prospect of improving performance is better light harvest and dark current limitation. To optimize the photon field distributions of the HgCdTe-based photonic crystal structure, a numerical method is built by combining the finite-element modeling and the finite-difference time-domain simulation. The optical and electrical characteristics of designed HgCdTe mid-wavelength and long-wavelength photon-trapping infrared detector focal plane arrays are obtained numerically. The results indicate that the photon crystal structure, which is entirely compatible with the large infrared focal plane arrays, can significantly reduce the dark current without degrading the quantum efficiency compared to the regular mesa or planar structure.

  19. Temperature field around a spherical, cylindrical, and needle-shaped crystal, growing in a pre-cooled melt

    NASA Technical Reports Server (NTRS)

    Ivantsov, G. P.

    1985-01-01

    The growth of a single crystal in a precooled melt was examined. The conditions under which this occurs are described. It is found that the movement of the crystallization front is proportional to the root of time. The problem is solved based on the presented considerations.

  20. Crystal field splittings of PrX 2 compounds (X=Pt, Rh, Ir, Ru, Ni) studied by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Greidanus, F. J. A. M.; De Jongh, L. J.; Huiskamp, W. J.; Furrer, A.; Buschow, K. H. J.

    1983-01-01

    Neutron inelastic scattering experiments have been performed on polycrystalline samples of the cubic Laves phase compounds PrX 2(X=Pt, Rh, Ir, Ni). Measurements in the paramagnetic state yield LLW parameters 0.6< x<1 and W<0. In this region various levels cross at an x value 0.86 and as a consequence the electronic ground state in the paramagnetic regime is either the singlet Γ 1, or the non-magnetic doublet Γ 3. Measurements in the ferromagnetic state support these conclusions. The crystal-field parameters obtained can be used in model calculations of some macroscopic quantities, in particular the specific heat and the spontaneous magnetization. The variation of the x values in the present series of Laves phase compounds evidences the presence of a contribution by conduction electrons to the crystal field.

  1. Design of 1-μm-pitch liquid crystal spatial light modulators having dielectric shield wall structure for holographic display with wide field of view

    NASA Astrophysics Data System (ADS)

    Isomae, Yoshitomo; Shibata, Yosei; Ishinabe, Takahiro; Fujikake, Hideo

    2017-03-01

    In the development of electronic holographic displays with a wide field of view, one issue is the realization of 1-μm-pitch spatial light modulators (SLMs) using liquid crystal on silicon (LCOS) techniques. We clarified that it is necessary to suppress not only the leakage of fringe electric fields from adjacent pixels but also the effect of elastic forces in the liquid crystal to achieve full-phase modulation (2π) in individual pixels. We proposed a novel LCOS-SLM with a dielectric shield wall structure, and achieved driving of individual 1-μm-pitch pixels. We also investigated the optimum values for width and dielectric constant of the wall structure when enlarging the area that can modulate light in the pixels. These results contribute to the design of 1-μm-pitch LCOS-SLM devices for wide-viewing-angle holographic displays.

  2. Spatial inhomogeneity in RFeAs(O,F)(R=Pr,Nd) as revealed by studies of the rare earth crystal field excitations

    SciTech Connect

    Goremychkin, E. A.; Osborn, R.; Wang, Cuihuan; Lumsden, Mark D; McGuire, Michael A; Safa-Sefat, Athena; Sales, Brian C; Mandrus, David; Ronnow, H. M.; Su, Y.; Christianson, Andrew D

    2011-01-01

    We report inelastic neutron-scattering measurements of crystal-field transitions in PrFeAsO, PrFeAsO{sub 0.87}F{sub 0.13}, and NdFeAsO{sub 0.85}F{sub 0.15}. Doping with fluorine produces additional crystal-field excitations, providing evidence that there are two distinct charge environments around the rare-earth ions, with probabilities that are consistent with a random distribution of dopants on the oxygen sites. The 4f electrons of the Pr{sup 3+} and Nd{sup 3+} ions have nonmagnetic and magnetic ground states, respectively, indicating that the enhancement of T{sub c} compared to LaFeAsO{sub 1-x}F{sub x} is not due to rare-earth magnetism.

  3. Crystal Field Parameters and Energy Levels Calculations for Fe{sup 3+}:ZnGa{sub 2}O{sub 4}

    SciTech Connect

    Vaida, M.; Brik, M. G.; Avram, N. M.

    2010-08-04

    In this paper, we present a theoretical study of the energy levels structure for the zinc gallate normal spinel, ZnGa{sub 2}O{sub 4}, doped with Fe{sup 3+}(3d{sup 5} configuration) ions. The calculations have been performed in the framework of the exchange charge model (ECM) of the crystal field. After calculating the CFPs, based on the geometrical structure of the host matrix, the crystal field Hamiltonian was diagonalized in the space spanned by the wave functions of all 16 LS terms of the 3d{sup 5} electron configurations. The Racah parameters B, C and G parameter of the exchange charge model have been estimated. The results of the theoretical calculations are in satisfactory agreement with the experimental data.

  4. The roles of 4f- and 5f-orbitals in bonding: A magnetochemical, crystal field, density functional theory, and multi-reference wavefunction study

    DOE PAGES

    Lukens, Wayne W.; Speldrich, Manfred; Yang, Ping; ...

    2016-05-31

    The electronic structures of 4f3/5f3 Cp"3M and Cp"3M·alkylisocyanide complexes, where Cp" is 1,3-bis-(trimethylsilyl)cyclopentadienyl, are explored with a focus on the splitting of the f-orbitals, which provides information about the strengths of the metal–ligand interactions. While the f-orbital splitting in many lanthanide complexes has been reported in detail, experimental determination of the f-orbital splitting in actinide complexes remains rare in systems other than halide and oxide compounds, since the experimental approach, crystal field analysis, is generally significantly more difficult for actinide complexes than for lanthanide complexes. In this study, a set of analogous neodymium(III) and uranium(III) tris-cyclopentadienyl complexes and their isocyanidemore » adducts was characterized by electron paramagnetic resonance (EPR) spectroscopy and magnetic susceptibility. The crystal field model was parameterized by combined fitting of EPR and susceptibility data, yielding an accurate description of f-orbital splitting. The isocyanide derivatives were also studied using density functional theory, resulting in f-orbital splitting that is consistent with crystal field fitting, and by multi-reference wavefunction calculations that support the electronic structure analysis derived from the crystal-field calculations. The results highlight that the 5f-orbitals, but not the 4f-orbitals, are significantly involved in bonding to the isocyanide ligands. The main interaction between isocyanide ligand and the metal center is a σ-bond, with additional 5f to π* donation for the uranium complexes. As a result, while interaction with the isocyanide π*-orbitals lowers the energies of the 5fxz2 and 5fyz2-orbitals, spin–orbit coupling greatly reduces the population of 5fxz2 and 5fyz2 in the ground state.« less

  5. Direct Measurement of Electric-Field-Induced Birefringence in a Polymer-Stabilized Blue-Phase Liquid Crystal Composite

    DTIC Science & Technology

    2010-05-01

    Wu, “Low voltage and high transmittance blue-phase liquid crystal displays with corrugated electrodes,” Appl. Phys. Lett. 96(1), 011102 (2010). 7. K...Cloud, Optical Methods of Engineering Analysis (Cambridge, New York, 1998). 1.Introduction Polymer-stabilized blue phase liquid crystal (PS-BPLC...with a large induced birefringence for lowering the operation voltage of display devices. 2. Experiment and theoretical analysis The PS-BPLC employed

  6. Pinning in the flux-line-cutting regime of Bi 2Sr 2Ca 1Cu 2O 8 single crystals at high field

    NASA Astrophysics Data System (ADS)

    D'Anna, G.; André, M.-O.; Indenbom, M. V.; Benoit, W.

    1994-09-01

    Using a low-frequency torsion pendulum we show that in a Bi 2Sr 2Ca 1Cu 2O 8 single crystal the irreversibility line Birr( T) is frequency dependent down to 10 -5 Hz in the high-field regime. The activation energy has a logarithmic field dependence, U0( B)= U∗ 1n( B∗/ B). A microscopic model for flux-line-cutting and pancake collision yields quantitative expressions for U0 and for Birr( T)= B∗ exp(- T/T∗), which reproduce the experimental data very well.

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

    SciTech Connect

    Kirtman, Bernard; Springborg, Michael; Rérat, Michel; Ferrero, Mauro; Lacivita, Valentina; Dovesi, Roberto; Orlando, Roberto

    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.

  8. Magnetic fluid-filled microhole in the collapsed region of a photonic crystal fiber for the measurement of a magnetic field.

    PubMed

    Gao, R; Jiang, Y

    2013-08-15

    A method for measurement of a magnetic field by filling a microhole with magnetic fluid (MF) in a photonic crystal fiber (PCF) is presented and experimentally demonstrated. A microhole is created in the collapsed region between the PCF and the single-mode fiber by using femtosecond laser micromachining, and a PCF-based Mach-Zehnder interferometer is formed. The MF is filled into the microhole. Due to the tunable refractive index property of the MF, the mode field diameter of the propagation light is changed with the external magnetic field, and the magnetic field can be detected by measuring the visibility contrast of the white light interferogram. The experimental results show that sensitivity of up to 0.042 dB/Oe is achieved.

  9. High magnetic field vortex torque magnetometry in SmFeAsO0.8F0.2 single crystals

    NASA Astrophysics Data System (ADS)

    Balicas, Luis; Gurevich, Alex; Jo, Younjung; Jaroszynski, Jan; Larbalestier, David; Liu, R. H.; Chen, H.; Chen, Xianhui H.; Zhigadlo, N. D.; Katrych, S.; Bukowski, Z.; Karpinski, J.

    2009-03-01

    To probe manifestations of multiband superconductivity in oxypnictides, we measured the angular dependence of magnetic torque τ(θ) in the mixed state of SmO0.8F0.2FeAs single crystals as functions of temperature T and high magnetic field H up to 30 T. We show that the effective mass anisotropy parameter γ extracted from τ(θ), can be greatly overestimated if the strong paramagnetism of Sm or Fe ions is not properly taken into account. The correctly extracted γ depends on both T and H, saturating at γ˜9 at lower temperatures. Neither the London penetration depth nor the superfluid density is affected by high fields fields up to the upper critical field. Our results indicate two strongly-coupled superconducting gaps of nearly equal magnitudes.

  10. Fluorination of Metal Phthalocyanines: Single-Crystal Growth, Efficient N-Channel Organic Field-Effect Transistors, and Structure-Property Relationships

    PubMed Central

    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

  11. Melt inclusions are not reliable proxies for magmatic liquid composition: evidence from crystal-poor andesites and dacites in the Tequila volcanic field, Mexico

    NASA Astrophysics Data System (ADS)

    Frey, H. M.; Lange, R. A.

    2009-12-01

    A compositional study of >200 melt inclusions in plagioclase and orthopyroxene phenocrysts from six crystal-poor (2-5 vol%) andesite and dacite lavas (60-68 wt% SiO2) from the Tequila volcanic field in the Mexico arc is used to evaluate whether melt inclusions in phenocrysts accurately record magmatic liquid compositions. The crystal-poor andesites and dacites were erupted contemporaneously with crystal-poor rhyolites, and there is a continuum in the SiO2 concentration of the erupted magmas. The liquid line of descent defined by the whole-rock compositions ranges from andesite to rhyolite (60-77 wt% SiO2), as illustrated on Harker diagrams. The crystal-poor andesites and dacites are multiply saturated with five to seven mineral phases (plagioclase + orthopyroxene + titanomagnetite + ilmenite + apatite ± augite ± hornblende), most of which crystallized via degassing during magma ascent (Frey and Lange, 2009). By comparison with phase equilibrium experiments from the literature, it is shown that the vast majority of crystals are phenocrysts and not xenocrysts. Textural evidence of rapid crystal growth includes skeletal, hopper, and swallow-tail morphologies and abundant melt inclusions. The inclusions range in size from a few microns to > 50 μm and occur as isolated pockets and extensive channels that mimic the crystal morphology. Inclusions are typically brown glass, with occasional microphenocrysts of titanomagnetite and/or apatite within or adjacent to the melt inclusions. The compositions of the melt inclusions in the plagioclase and orthopyroxene phenocrysts, when plotted on Harker diagrams, vary systematically from one another and from the liquid line of descent defined by the whole rock compositions of erupted magmas. For example, melt inclusions in plagioclase are systematically depleted in Al2O3 relative to the whole rock samples, whereas those in coexisting orthopyroxenes are systematically enriched in Al2O3. The opposite trend is found for FeO, where it

  12. The effect of an electric field on the morphological stability of the crystal-melt interface of a binary alloy. III - Weakly nonlinear theory

    NASA Technical Reports Server (NTRS)

    Wheeler, A. A.; Mcfadden, G. B.; Coriell, S. R.; Hurle, D. T. J.

    1990-01-01

    The effect of a constant electric current on the crystal-melt interface morphology during directional solidification at constant velocity of a binary alloy is considered. A linear temperature field is assumed, and thermoelectric effects and Joule heating are neglected; electromigration and differing electrical conductivities of crystal and melt are taken into account. A two-dimensional weakly nonlinear analysis is carried out to third order in the interface amplitude, resulting in a cubic amplitude equation that describes whether the bifurcation from the planar state is supercritical or subcritical. For wavelengths corresponding to the most dangerous mode of linear theory, the demarcation between supercritical and subcritical behavior is calculated as a function of processing conditions and material parameters. The bifurcation behavior is a sensitive function of the magnitude and direction of the electric current and of the electrical conductivity ratio.

  13. 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.

    PubMed

    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.

  14. Topological dynamics of optical singularities in speckle-fields induced by photorefractive scattering in a LiNbO{sub 3} : Fe crystal

    SciTech Connect

    Vasil'ev, Vasilii I; Soskin, M S

    2013-02-28

    A natural singular dynamics of elliptically polarised speckle-fields induced by the 'optical damage' effect in a photorefractive crystal of lithium niobate by a passing beam of a helium - neon laser is studied by the developed methods of singular optics. For the polarisation singularities (C points), a new class of chain reactions, namely, singular chain reactions are discovered and studied. It is shown that they obey the topological charge and sum Poincare index conservation laws. In addition, they exist for all the time of crystal irradiation. They consist of a series of interlocking chains, where singularity pairs arising in a chain annihilate with singularities from neighbouring independently created chains. Less often singular 'loop' reactions are observed where arising pairs of singularities annihilate after reversible transformations in within the boundaries of a single speckle. The type of a singular reaction is determined by a topology and dynamics of the speckles, in which the reactions are developing. (laser optics 2012)

  15. High-resolution spectroscopy, crystal-field calculations, and quadrupole helix chirality of DyFe3(BO3)4

    NASA Astrophysics Data System (ADS)

    Popova, M. N.; Malkin, B. Z.; Stanislavchuk, T. N.; Chukalina, E. P.; Boldyrev, K. N.; Gudim, I. A.

    2016-12-01

    High-resolution polarized transmission spectra of DyFe3(BO3)4 single crystals were investigated in broad spectral (10-23000 cm-1) and temperature (3.5-300 K) ranges. Energies of the dysprosium levels in the paramagnetic and antiferromagnetic phases were determined. On the basis of these data and preliminary calculations in the frameworks of the exchange-charge model, we determined the crystal-field and Dy-Fe exchange interaction parameters of the Dy3+ ions at sites with the point C2 symmetry corresponding to the enantiomorphic P3121 and P3221 space groups. The values of electronic quadrupole moments of the Dy3+ ions were calculated, which enabled us to interpret results of the work [Usui et al., Nature Mater. 13, 611 (2014)] on the observation of domains of different quadrupole chirality in DyFe3(BO3)4.

  16. Interference patterns of scattering light induced by orientational fluctuations in an electric-field-biased nematic liquid-crystal film.

    PubMed

    Shen, Y; Chen, S H; Hsu, C H; Lai, Y

    1998-06-15

    A new light-scattering phenomenon from a planar aligned nematic liquid-crystal film is observed and studied. This new phenomenon exhibits ring patterns in the orthogonal polarization. A simple model based on optical interference has been developed, and its predictions agree well with experimental observation.

  17. Determination of the Upper Critical Field of a Single Crystal LiFeAs: The Magnetic Torque Study up to 35 Tesla

    NASA Astrophysics Data System (ADS)

    Kurita, Nobuyuki; Kitagawa, Kentaro; Matsubayashi, Kazuyuki; Kismarahardja, Ade; Choi, Eun-Sang; Brooks, James S.; Uwatoko, Yoshiya; Uji, Shinya; Terashima, Taichi

    2011-01-01

    We report on the upper critical field Bc2 of a superconducting LiFeAs single crystal with Tc ˜ 16 K, determined from magnetic torque measurements in dc-magnetic fields up to 35 T and at temperatures down to 0.3 K. Bc2 at 0.3 K is obtained to be 26.4 and 15.5 T for the applied field Ba \\parallel ab and Ba \\parallel c, respectively. The anisotropy param eter Γ = Bc2ab/Bc2c is ˜3 at Tc and decreases to 1.7 as T → 0, showing rather isotropic superconductivity. While Bc2 is orbitally-limited for Ba \\parallel c, the spin-paramagnetic effect is evident in the temperature dependence of Bc2 for Ba \\parallel ab.

  18. Effect of magnetic field on the coherent THz emission from mesas of single crystal Bi2Sr2CaCu2O8+δ

    NASA Astrophysics Data System (ADS)

    Kitamura, Takeo; Kashiwagi, Takanari; Tsujimoto, Manabu; Delfanazari, Kaveh; Nakayama, Ryo; Sawamura, Masashi; Yamamoto, Takashi; Asai, Hidehiro; Minami, Hidetoshi; Tachiki, Masashi; Kadowaki, Kazuo

    2012-02-01

    Coherent and continuous electromagnetic (EM) waves radiation phenomena with a mesa structure of Bi2Sr2CaCu2O8+δ single crystal have been investigated precisely in magnetic field up to only 200 Oe where the emission intensity decreases sharply expectedly for the field H parallel to the c-axis. The emission could not be observed above 20 Oe for H//c-axis whereas it persisted up to 160 Oe for H//ab plane [1]. These results indicate that both pancake vortices as well as Josephson vortices suppress the THz emission very strongly. On the other hand, the Josephson plasma resonance phenomena have been observed in both H//ab and H//c even in very high fields (˜Tesla). The emission processes are considered to be the reverse processes of the absorption. It is interesting to pose a question what happens in high fields in the EM waves emission. We show interesting experimental results of THz emission in high magnetic fields including low field region and will argue the mechanism of emission in high magnetic fields. [4pt] [1] K. Yamaki et al., physica C 470 (2010) S804-805.

  19. A fusion-spliced near-field optical fiber probe using photonic crystal fiber for nanoscale thermometry based on fluorescence-lifetime measurement of quantum dots.

    PubMed

    Fujii, Takuro; Taguchi, Yoshihiro; Saiki, Toshiharu; Nagasaka, Yuji

    2011-01-01

    We have developed a novel nanoscale temperature-measurement method using fluorescence in the near-field called fluorescence near-field optics thermal nanoscopy (Fluor-NOTN). Fluor-NOTN enables the temperature distributions of nanoscale materials to be measured in vivo/in situ. The proposed method measures temperature by detecting the temperature dependent fluorescence lifetimes of Cd/Se quantum dots (QDs). For a high-sensitivity temperature measurement, the auto-fluorescence generated from a fiber probe should be reduced. In order to decrease the noise, we have fabricated a novel near-field optical-fiber probe by fusion-splicing a photonic crystal fiber (PCF) and a conventional single-mode fiber (SMF). The validity of the novel fiber probe was assessed experimentally by evaluating the auto-fluorescence spectra of the PCF. Due to the decrease of auto-fluorescence, a six- to ten-fold increase of S/N in the near-field fluorescence lifetime detection was achieved with the newly fabricated fusion-spliced near-field optical fiber probe. Additionally, the near-field fluorescence lifetime of the quantum dots was successfully measured by the fabricated fusion-spliced near-field optical fiber probe at room temperature, and was estimated to be 10.0 ns.

  20. Temperature and electric field-induced phase transitions in (1 - x)Pb(Mg1/3Nb2/3)O3- xPbTiO3 single crystals

    NASA Astrophysics Data System (ADS)

    Shabbir, Ghulam; Ko, Jae-Hyeon

    2017-03-01

    Field-induced phase transitions in [111]- and [110]-oriented relaxor ferroelectric (1 - x)Pb(Mg1/3Nb2/3)O3- xPbTiO3 (PMN-PT) single crystals in the morphotropic phase boundary (MPB) composition range were examined through temperature-dependent complex capacitance measurements. Two first-order phase transitions from paraelectric cubic to ferroelectric tetragonal and then to ferroelectric rhombohedral phases were observed in the unpoled crystal. Additional weak dielectric anomalies were observed at a temperature of 40 °C (in both crystals) and 90 °C (in [110] crystals) in the poled samples. These weak anomalies disappeared when cooling the crystal from higher temperature but within the ferroelectric tetragonal phase. The new anomalies were attributed to the formation of field-induced metastable phases, which were unstable with temperature modulation.