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Sample records for crystal field effects

  1. 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.

  2. 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.

  3. Fiber field-effect device via in situ channel crystallization.

    PubMed

    Danto, Sylvain; Sorin, Fabien; Orf, Nicholas D; Wang, Zheng; Speakman, Scott A; Joannopoulos, John D; Fink, Yoel

    2010-10-01

    The in situ crystallization of the incorporated amorphous semiconductor within the multimaterial fiber device yields a large decrease in defect density and a concomitant five-order-of-magnitude decrease in resistivity of the novel metal-insulator-crystalline semiconductor structure. Using a post-drawing crystallization process, the first tens-of-meters-long single-fiber field-effect device is demonstrated. This work opens significant opportunities for incorporating higher functionality in functional fibers and fabrics.

  4. 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.

  5. Single crystal growth of organic semiconductors for field effect applications

    NASA Astrophysics Data System (ADS)

    Kloc, Christian

    2006-08-01

    Organic semiconductors attract considerable attention due to promising applications in organic light emitting diodes, field effect transistors, and organic solar cells. Moreover, solubility of some organic semiconductors in organic solvents favors them for printed large area OLED displays and inexpensive printed microelectronics. However, low mobility of carriers in organic semiconductors limits usability of organic semiconductors in integrated circuits and need to be overcome. For this reason, the knowledge of intrinsic properties achievable in very pure and perfect crystals is important. Therefore, we have carried out a program to grow high quality single crystals of organics. Solution growth, melt growth, solvothermal method and vapor transport crystal growth have been applied and will be reported. For research purpose, using a gas phase transport method, we have produced millimeter - sized crystals of numerous organic semiconductors with higher quality and purity. Structure quality has been evaluated by x-ray topography methods. Field effect transistors have been prepared on surfaces of single crystals. Some of organic semiconductors like rubrene, pentacene, copper phthalocyanine exhibit carrier mobilities comparable or even higher than amorphous silicon. However, characterization of starting materials, crystals, thin films and resulting devices remains the crucial issue. The relation between organic semiconductor properties, used device fabrication technologies and resulting device characteristics is the object of presented here studies.

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. Crystal field effects in TmCu2 compound

    NASA Astrophysics Data System (ADS)

    Zajac, Š.; Šíma, V.; Smetana, Z.

    1987-01-01

    The splitting of the3H6 multiplet has been estimated for the Tm3+ ion in the crystal electric field of the orthorhombic TmCu2 compound. Using the energy levels and appropriate eigenfunctions the crystal field only susceptibility has been calculated along the principal orthorhombic axes at temperatures 10 to 300 K. The obtained results are compared with our measurements of specific heat and paramagnetic susceptibility on polycrystalline sample.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. 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

  18. 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.

  19. 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.

  20. Monitoring of hydroxyapatite crystal formation using field-effect transistor

    NASA Astrophysics Data System (ADS)

    Kajisa, Taira; Sakata, Toshiya

    2016-04-01

    The biomineralization process of hydroxyapatite (HAp) in simulated body fluid (SBF) was monitored in realtime using extended-gate FETs whose gate electrode was modified with a variety of alkanethiol self-assembled monolayers (SAMs). It was found that the gate surface potential of the carboxyl- and amino-group-terminated SAM-coated gate FET was increased in SBF as HAp crystals grew on the gate surface. Moreover, in the carboxyl-group-terminated SAM-coated gate FET, the rate of increase and the shift of gate surface potential of the FET were found to depend on the concentration of calcium ions in the SBF. It was concluded that the process of HAp crystallization at a SAM-modified surface can be detected using FETs. Thus, a FET device that enables the easy detection of ionic charges in a real-time and label-free manner, will be useful for evaluating biomaterials based on biomineralization such as those in the bone regeneration process.

  1. 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.

  2. 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.

  3. Metal electrode dependent field effect transistors made of lanthanide ion-doped DNA crystals

    NASA Astrophysics Data System (ADS)

    Reddy Dugasani, Sreekantha; Hwang, Taehyun; Kim, Jang Ah; Gnapareddy, Bramaramba; Kim, Taesung; Park, Sung Ha

    2016-03-01

    We fabricated lanthanide ion (Ln3+, e.g. Dy3+, Er3+, Eu3+, and Gd3+)-doped self-assembled double-crossover (DX) DNA crystals grown on the surface of field effect transistors (FETs) containing either a Cr, Au, or Ni electrode. Here we demonstrate the metal electrode dependent FET characteristics as a function of various Ln3+. The drain-source current (I ds), controlled by the drain-source voltage (V ds) of Ln3+-doped DX DNA crystals with a Cr electrode on an FET, changed significantly under various gate voltages (V g) due to the relative closeness of the work function of Cr to the energy band gap of Ln3+-DNA crystals compared to those of Au and Ni. For Ln3+-DNA crystals on an FET with either a Cr or Ni electrode at a fixed V ds, I ds decreased with increasing V g ranging from  -2 to 0 V and from 0 to  +3 V in the positive and negative regions, respectively. By contrast, I ds for Ln3+-DNA crystals on an FET with Au decreased with increasing V g in only the positive region due to the greater electronegativity of Au. Furthermore, Ln3+-DNA crystals on an FET exhibited behaviour sensitive to V g due to the appreciable charge carriers generated from Ln3+. Finally, we address the resistivity and the mobility of Ln3+-DNA crystals on an FET with different metal electrodes obtained from I ds-V ds and I ds-V g curves. The resistivities of Ln3+-DNA crystals on FETs with Cr and Au electrodes were smaller than those of pristine DNA crystals on an FET, and the mobility of Ln3+-DNA crystals on an FET with Cr was relatively higher than that associated with other electrodes.

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

    PubMed Central

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

    2014-01-01

    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 recentdevelopment 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. PMID:27877656

  5. 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.

  6. 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.

  7. 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.

  8. Effect of wake potential on Coulomb crystallization in the presence of magnetic field

    NASA Astrophysics Data System (ADS)

    Bhattacharjee, Saurav; Das, Nilakshi

    2012-10-01

    The formation of dust crystal in plasma under the influence of repulsive Yukawa (Debye-Hückel) potential is a well known phenomenon. The regular structure of dust particles is affected by anisotropic ion flow near the sheath region. The bombardment of the ions over dust grains distorts their Debye sphere by overshielding the dust cloud and gives rise to an attractive oscillatory wake potential. In this paper, we have obtained an expression for wake potential along with the Yukawa type of potential in a complex plasma in the presence of magnetic field, for subsonic ion flow towards the plasma sheath. In the presence of magnetic field, interaction potential gets modified and becomes anisotropic. We have studied the combined effect of the attractive wake potential as well as repulsive Yukawa potential on a 2D dust crystal, both in the presence and absence of magnetic field, using molecular dynamic simulation.

  9. 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).

  10. 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.

  11. 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.

  12. 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.

  13. Kovacs effect enhanced broadband large field of view electro-optic modulators in nanodisordered KTN crystals.

    PubMed

    Chang, Yun-Ching; Wang, Chao; Yin, Shizhuo; Hoffman, Robert C; Mott, Andrew G

    2013-07-29

    The unique physical effect-Kovacs effect is explored to enhance the performance of EO modulators by employing the non-thermal equilibrium state nanodisordered KTN crystals created by super-cooling process, which can have a significant 3.5 fold increase in quadratic electro-optic coefficient. This enables to reduce the switching half wave voltage (almost by half) so that a broadband (~GHz range) and large field of view (+/-30 deg) electro-optic modulator can be realized with much lowered driving power, which can be very useful for a variety of applications: laser Q-switches, laser pulse shaping, high speed optical shutters and modulating retro reflectors.

  14. 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.

  15. 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.

  16. Effect of Bending on the Electrical Characteristics of Flexible Organic Single Crystal-based Field-effect Transistors.

    PubMed

    Ho, Man-Tzu; Tao, Yu-Tai

    2016-11-07

    The charge transport in an organic semiconductor depends highly on the molecular packing in the crystal, which influences the electronic coupling immensely. However, in soft electronics, in which organic semiconductors play a critical role, the devices will be bent or folded repeatedly. The effect of bending on the crystal packing and thus the charge transport is crucial to the performance of the device. In this manuscript, we describe the protocol to bend a single crystal of 5,7,12,16-tetrachloro-6,13-diazapentacene (TCDAP) in the field-effect transistor configuration and to obtain reproducible I-V characteristics upon bending the crystal. The results show that bending a field-effect transistor prepared on a flexible substrate results in nearly reversible yet opposite trends in charge mobility, depending on the bending direction. The mobility increases when the device is bent toward the top gate/dielectric layer (upward, compressive state) and decreases when bent toward the crystal/substrate side (downward, tensile state). The effect of bending curvature was also observed, with greater mobility change resulting from higher bending curvature. It is suggested that the intermolecular π-π distance changes upon bending, thereby influencing the electronic coupling and the subsequent carrier transport ability.

  17. Crystal field and magnetic properties

    NASA Technical Reports Server (NTRS)

    Flood, D. J.

    1977-01-01

    Magnetization and magnetic susceptibility measurements have been made in the temperature range 1.3 to 4.2 K on powdered samples of ErH3. The susceptibility exhibits Curie-Weiss behavior from 4.2 to 2 K, and intercepts the negative temperature axis at theta = 1.05 + or - 0.05 K, indicating that the material is antiferromagnetic. The low field effective moment is 6.77 + or - 0.27 Bohr magnetons per ion. The magnetization exhibits a temperature independent contribution, the slope of which is (5 + or - 1.2) x 10 to the -6th Weber m/kg Tesla. The saturation moment is 3.84 + or - 1 - 0.15 Bohr magnetons per ion. The results can be qualitatively explained by the effects of crystal fields on the magnetic ions. No definitive assignment of a crystal field ground state can be given, nor can a clear choice between cubically or hexagonally symmetric crystal fields be made. For hexagonal symmetry, the first excited state is estimated to be 86 to 100 K above the ground state. For cubic symmetry, the splitting is on the order of 160 to 180 K.

  18. 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

  19. Crystal field effect induced topological crystalline insulators in monolayer IV-VI semiconductors.

    PubMed

    Liu, Junwei; Qian, Xiaofeng; Fu, Liang

    2015-04-08

    Two-dimensional (2D) topological crystalline insulators (TCIs) were recently predicted in thin films of the SnTe class of IV-VI semiconductors, which can host metallic edge states protected by mirror symmetry. As thickness decreases, quantum confinement effect will increase and surpass the inverted gap below a critical thickness, turning TCIs into normal insulators. Surprisingly, based on first-principles calculations, here we demonstrate that (001) monolayers of rocksalt IV-VI semiconductors XY (X = Ge, Sn, Pb and Y = S, Se, Te) are 2D TCIs with the fundamental band gap as large as 260 meV in monolayer PbTe. This unexpected nontrivial topological phase stems from the strong crystal field effect in the monolayer, which lifts the degeneracy between p(x,y) and p(z) orbitals and leads to band inversion between cation pz and anion px,y orbitals. This crystal field effect induced topological phase offers a new strategy to find and design other atomically thin 2D topological materials.

  20. 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.

  1. 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

  2. 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.

  3. 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.

  4. Effects of the biaxial transverse crystal-field on the phase diagrams of a spin-1 nanowire

    NASA Astrophysics Data System (ADS)

    Magoussi, H.; Zaim, A.; Boughrara, M.; Kerouad, M.

    2016-09-01

    By using the effective field theory based on a probability distribution method, the phase diagrams and the magnetic properties of an Ising nanowire in the presence of the biaxial transverse crystal-field are investigated. The effects of the biaxial transverse crystal field, the interfacial coupling and the exchange interaction in the surface on the phase diagram, the magnetization and the internal energy are examined. Some characteristic phenomena are found such as the tricritical behavior, the critical end point and the re-entrant phenomenon.

  5. 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.

  6. 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.

  7. GW correlation effects on plutonium quasiparticle energies: changes in crystal-field splitting

    SciTech Connect

    Albers, Robert C; Chantis, Athanasios N; Svane, Axel; Christensen, Niels E

    2009-01-01

    We present results for the electronic structure of plutonium by using a recently developed quasiparticle self-consistent GW method (QSGW). We consider a paramagnetic solution without spin-orbit interaction as a function of volume for the face-centered cubic (fcc) unit cell. We span unit-cell volumes ranging from 10% greater than the equilibrium volume of the 8 phase to 90 % of the equivalent for the a phase of Pu. The self-consistent GW quasiparticle energies are compared to those obtained within the Local Density Approximation (LDA). The goal of the calculations is to understand systematic trends in the effects of electronic correlations on the quasiparticle energy bands of Pu as a function of the localization of the J orbitals. We show that correlation effects narrow the f bands in two significantly different ways. Besides the expected narrowing of individual f bands (flatter dispersion), we find that an even more significant effect on the f bands is a decrease in the crystal-field splitting of the different bands

  8. Interband coherence response to electric fields in crystals: Berry-phase contributions and disorder effects

    NASA Astrophysics Data System (ADS)

    Culcer, Dimitrie; Sekine, Akihiko; MacDonald, Allan H.

    2017-07-01

    In solid state conductors, linear response to a steady electric field is normally dominated by Bloch state occupation number changes that are correlated with group velocity and lead to a steady state current. Recently it has been realized that, for a number of important physical observables, the most important response even in conductors can be electric-field induced coherence between Bloch states in different bands, such as that responsible for screening in dielectrics. Examples include the anomalous and spin-Hall effects, spin torques in magnetic conductors, and the minimum conductivity and chiral anomaly in Weyl and Dirac semimetals. In this paper we present a general quantum kinetic theory of linear response to an electric field which can be applied to solids with arbitrarily complicated band structures and includes the interband coherence response and the Bloch-state repopulation responses on an equal footing. One of the principal aims of our work is to enable extensive transport theory applications using computational packages constructed in terms of maximally localized Wannier functions. To this end we provide a complete correspondence between the Bloch and Wannier formulations of our theory. The formalism is based on density-matrix equations of motion, on a Born approximation treatment of disorder, and on an expansion in scattering rate to leading nontrivial order. Our use of a Born approximation omits some physical effects and represents a compromise between comprehensiveness and practicality. The quasiparticle bands are treated in a completely general manner that allows for arbitrary forms of the spin-orbit interaction and for the broken time reversal symmetry of magnetic conductors. We demonstrate that the interband response in conductors consists primarily of two terms: an intrinsic contribution due to the entire Fermi sea that captures, among other effects, the Berry curvature contribution to wave-packet dynamics, and an anomalous contribution caused

  9. Effects of a High Magnetic Field on the Microstructure of Ni-Based Single-Crystal Superalloys During Directional Solidification

    NASA Astrophysics Data System (ADS)

    Xuan, Weidong; Lan, Jian; Liu, Huan; Li, Chuanjun; Wang, Jiang; Ren, Weili; Zhong, Yunbo; Li, Xi; Ren, Zhongming

    2017-08-01

    High magnetic fields are widely used to improve the microstructure and properties of materials during the solidification process. During the preparation of single-crystal turbine blades, the microstructure of the superalloy is the main factor that determines its mechanical properties. In this work, the effects of a high magnetic field on the microstructure of Ni-based single-crystal superalloys PWA1483 and CMSX-4 during directional solidification were investigated experimentally. The results showed that the magnetic field modified the primary dendrite arm spacing, γ' phase size, and microsegregation of the superalloys. In addition, the size and volume fractions of γ/ γ' eutectic and the microporosity were decreased in a high magnetic field. Analysis of variance (ANOVA) results showed that the effect of a high magnetic field on the microstructure during directional solidification was significant ( p < 0.05). Based on both experimental results and theoretical analysis, the modification of microstructure was attributed to thermoelectric magnetic convection occurring in the interdendritic regions under a high magnetic field. The present work provides a new method to optimize the microstructure of Ni-based single-crystal superalloy blades by applying a high magnetic field.

  10. 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.

  11. 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.

  12. 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.

  13. Crystal-Field and Covalency Effects in Uranates: An X-ray Spectroscopic Study.

    PubMed

    Butorin, Sergei M; Kvashnina, Kristina O; Smith, Anna L; Popa, Karin; Martin, Philippe M

    2016-07-04

    The electronic structure of U(V) - and U(VI) -containing uranates NaUO3 and Pb3 UO6 was studied by using an advanced technique, namely X-ray absorption spectroscopy (XAS) in high-energy-resolution fluorescence-detection (HERFD) mode. Due to a significant reduction in core-hole lifetime broadening, the crystal-field splittings of the 5f shell were probed directly in HERFD-XAS spectra collected at the U 3d edge, which is not possible by using conventional XAS. In addition, the charge-transfer satellites that result from U 5f-O 2p hybridization were clearly resolved. The crystal-field parameters, 5f occupancy, and degree of covalency of the chemical bonding in these uranates were estimated by using the Anderson impurity model by calculating the U 3d HERFD-XAS, conventional XAS, core-to-core (U 4f-3d transitions) resonant inelastic X-ray scattering (RIXS), and U 4f X-ray photoelectron spectra. The crystal field was found to be strong in these systems and the 5f occupancy was determined to be 1.32 and 0.84 electrons in the ground state for NaUO3 and Pb3 UO6 , respectively, which indicates a significant covalent character for these compounds. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. 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.

  15. Slave boson theory of orbital differentiation with crystal field effects: Application to UO2

    DOE PAGES

    Lanatà, Nicola; Yao, Yongxin; Deng, Xiaoyu; ...

    2017-03-23

    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. Furthermore, 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 5f manifold, with Mott-localized Γ8 and extended Γ7 electrons.

  16. 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.

  17. Slave Boson Theory of Orbital Differentiation with Crystal Field Effects: Application to UO_{2}.

    PubMed

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

    2017-03-24

    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 UO_{2} and show that the ground state of this system displays a pronounced orbital differentiation within the 5f manifold, with Mott-localized Γ_{8} and extended Γ_{7} electrons.

  18. Chemical pressure effect in magnetic frustrated pyrochlore Nd2Pb2O7: A crystal-field analysis

    NASA Astrophysics Data System (ADS)

    Swarnakar, Debasish; Jana, Yatramohan; Alam, Jahangir; Nandi, Saikat

    2017-09-01

    Variation of chemical pressure at R-site due to substitution of nonmagnetic cation of varying size at the M-site makes a fine tuning between the crystal-field and molecular field to adopt exotic ground states in the frustrated magnetic R2M2O7 pyrochlore structures. Presence of larger cation at M-site increases the lattice parameter or nearest-neighbor bond distance between magnetic R-spins, and causes subtle changes to the local oxygen environment surrounding each R-ion, thereby reduces the chemical pressure at R-sites which leads to a dramatic change in the crystal-field and molecular field at R-site. To explore the effect of chemical pressure, the experimental results of powder magnetic susceptibility and isothermal magnetization of a geometrically frustrated compound, Nd2Pb2O7 containing largest cation, e.g. lead (Pb), at M4+-sites are simulated and analyzed employing a D3d crystal-field (CF) and anisotropic molecular field at R-sites in the self-consistent mean-field approach. The second-ordered axial parameter B20 and total CF splitting of the ground multiplet 4I9/2 of Nd3+-ions became the lowest among the isomorphic Nd-pyrochlore compounds, implying reduced effect of the crystal-field at Nd sites. Nd2Pb2O7 has strong [111] Ising anisotropy. Relative strength and values of the exchange tensor among nearest-neighbor Nd3+-spins in Nd2Pb2O7 and Nd2Zr2O7 result in a very close competition of anti-ferromagnetic and ferromagnetic interactions.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. Study on Crystallization Properties of Mold Flux in Magnetic Field

    NASA Astrophysics Data System (ADS)

    Zhang, Congjing; Wang, Yu; Hu, Lang; Zhu, Mingmei; Wang, Hongpo

    Magnetic field has a great effect on the crystallization behavior of mold flux and properties of the flux film between mold and strand, on which the surface quality of strand was deeply depended in continuous casting process. Therefore, studying the change law of the crystallization properties of mold flux in magnetic field is of great significant. In the present work, based on intensity of the applied magnetic field with the range from 0mT to 60mT, the crystallization ratio, crystal size and mineralogical phases of the flux film were discussed. The results show that crystallization ratio increases with the increasing magnetic field intensity, and the crystal size becomes bigger at the same time. The magnetic field promotes the crystallization ratio and growth speed of the crystallized grains of mold flux. However, magnetic field doesn't change types of the mineralogical phases.

  13. 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

  14. 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.

  15. 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.

  16. 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

  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. Crystal field effects in the intermetallic R Ni3Ga9 (R =Tb , Dy, Ho, and Er) compounds

    NASA Astrophysics Data System (ADS)

    Silva, L. S.; Mercena, S. G.; Garcia, D. J.; Bittar, E. M.; Jesus, C. B. R.; Pagliuso, P. G.; Lora-Serrano, R.; Meneses, C. T.; Duque, J. G. S.

    2017-04-01

    In this paper, we report temperature-dependent magnetic susceptibility, electrical resistivity, and heat-capacity experiments in the family of intermetallic compounds R Ni3Ga9 (R = Tb, Dy, Ho, and Er). Single-crystalline samples were grown using Ga self-flux method. These materials crystallize in a trigonal ErNi3Al9 -type structure with space group R 32 . They all order antiferromagnetically with TN<20 K . The anisotropic magnetic susceptibility presents large values of the ratio χeasy/χhard indicating strong crystalline electric-field (CEF) effects. The evolution of the crystal-field scheme for each R was analyzed in detail by using a spin model including anisotropic nearest-neighbor Ruderman-Kittel-Kasuya-Yosida interaction and the trigonal CEF Hamiltonian. Our analysis allows one to understand the distinct direction of the ordered moments along the series—the Tb-, Dy-, and Ho-based compounds have the ordered magnetic moments in the easy ab plane and the Er sample magnetization easy axis is along the c ̂ direction.

  19. 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

  20. 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.

  1. 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.

  2. MAGNETORESISTANCE AND HALL EFFECT IN SINGLE CRYSTALS OF ALUMINUM

    DTIC Science & Technology

    ALUMINUM, *SINGLE CRYSTALS, CRYSTALS, HALL EFFECT , IMPURITIES, LOW PRESSURE, MAGNETIC FIELDS, MAGNETIC PROPERTIES, PARTICLE TRAJECTORIES, ELECTRICAL RESISTANCE, SOLID STATE PHYSICS, SURFACE PROPERTIES.

  3. Effect of 10-T magnetic fields on structural colors in guanine crystals of fish scales

    NASA Astrophysics Data System (ADS)

    Iwasaka, M.; Miyashita, Y.; Kudo, M.; Kurita, S.; Owada, N.

    2012-04-01

    This work reports the magnetically modulated structural colors in the chromatophore of goldfish scales under static magnetic fields up to 10 T. A fiber optic system for spectroscopy measurements and a CCD microscope were set in the horizontal bore of a 10-T superconducting magnet. One leaf of a fish scale was set in a glass chamber, exposed to visible light from its side direction, and then static magnetic fields were applied perpendicular to the surface of the scale. In addition, an optical fiber for spectroscopy was directed perpendicular to the surface. During the magnetic field sweep-up, the aggregate of guanine thin plates partially showed a rapid light quenching under 0.26 to 2 T; however, most of the thin plates continued to scatter the side-light and showed changing iridescence, which was displayed individually by each guanine plate. For example, an aggregate in the chromatophore exhibited a dynamic change in structural color from white-green to dark blue when the magnetic fields changed from 2 to 10 T. The spectrum profile, which was obtained by the fiber optic system, confirmed the image color changes under magnetic field exposure. Also, a linearly polarized light transmission was measured on fish scales by utilizing an optical polarizer and analyzer. The transmitted polarized light intensities increased in the range of 500-550 nm compared to the intensity at 700 nm during the magnetic field sweep-up. These results indicate that the multi-lamella structure of nano-mirror plates in guanine hexagonal micro-plates exhibit diamagnetically modulated structure changes, and its light interference is affected by strong magnetic fields.

  4. 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.

  5. 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.

  6. Effect of an electric field on the orientation of a liquid crystal in a cell with a nonuniform director distribution

    SciTech Connect

    Aksenova, E. V. Karetnikov, A. A.; Karetnikov, N. A.; Kovshik, A. P.; Ryumtsev, E. I.; Sakhatskii, A. S.; Svanidze, A. V.

    2016-05-15

    The electric field-induced reorientation of a nematic liquid crystal in cells with a planar helicoidal or a homeoplanar structure of a director field is studied theoretically and experimentally. The dependences of the capacitances of these systems on the voltage in an applied electric field below and above the Fréedericksz threshold are experimentally obtained and numerically calculated. The calculations use the director distribution in volume that is obtained by direct minimization of free energy at various voltages. The inhomogeneity of the electric field inside a cell is taken into account. The calculation results are shown to agree with the experimental data.

  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. 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.

  9. 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).

  10. Control of effect on the nucleation rate for hen egg white lysozyme crystals under application of an external ac electric field.

    PubMed

    Koizumi, H; Uda, S; Fujiwara, K; Nozawa, J

    2011-07-05

    The effect of an external ac electric field on the nucleation rate of hen egg white lysozyme crystals increased with an increase in the concentration of the precipitant used, which enabled the design of an electric double layer (EDL) formed at the inner surface of the drop in the oil. This is attributed to the thickness of the EDL controlled by the ionic strength of the precipitant used. Control of the EDL formed at the interface between the two phases is important to establishing this novel technique for the crystallization of proteins under the application of an external ac electric field. © 2011 American Chemical Society

  11. Organic-crystal light-emitting field-effect transistors driven by square-wave gate voltages.

    PubMed

    Yamao, Takeshi; Terasaki, Kohei; Shimizu, Yasuhiro; Hotta, Shu

    2010-02-01

    We have improved the operation method of organic light-emitting field-effect transistors by applying a square wave to the gate electrode. A thiophene/phenylene co-oligomer crystal was used as the organic layer. Compared with the sinusoidal wave gate bias application, the square-wave bias produces the emission intensity ten times as large as that of the former. The effective emissions take place through electrons injection from the source contact when the gate bias traverses 0 V so as to be positive. When asymmetric electrodes were used for the source and drain contacts, the resulting emission exhibited the narrowed spectral line at 491.5 nm with its FWHM approximately 1.1 nm. The line narrowing is expected to be a consequence of the emission intensity increment caused by the enhanced electrons injection from the Ag source contact. The location of the emission line is closely related to those of the multimodes due to the laser oscillation by cavity resonance.

  12. Study of Crystal-field Effects in Rare-earth (RE) - Transition-metal Intermetallic Compounds and in RE-based Laser Crystals

    NASA Astrophysics Data System (ADS)

    Magnani, Nicola

    2003-09-01

    Rare-earth (RE) based compounds and alloys are of great interest both for their fundamental physical properties and for applications. In order to tailor the required compounds for a specific task, one must be able to predict the energy level structure and transition intensities for any magnetic ion in any crystalline environment. The crystal-field (CF) analysis is one of the most powerful theoretical methods to deal with the physics of magnetic ions. In the present work, this technique is used to analyze peculiar physical properties of some materials employed in the production of new-generation solid-state laser and high-performance permanent magnets.

  13. 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.

  14. Nonlinear elastic effects in phase field crystal and amplitude equations: Comparison to ab initio simulations of bcc metals and graphene

    NASA Astrophysics Data System (ADS)

    Hüter, Claas; Friák, Martin; Weikamp, Marc; Neugebauer, Jörg; Goldenfeld, Nigel; Svendsen, Bob; Spatschek, Robert

    2016-06-01

    We investigate nonlinear elastic deformations in the phase field crystal model and derived amplitude equation formulations. Two sources of nonlinearity are found, one of them is based on geometric nonlinearity expressed through a finite strain tensor. This strain tensor is based on the inverse right Cauchy-Green deformation tensor and correctly describes the strain dependence of the stiffness for anisotropic and isotropic behavior. In isotropic one- and two-dimensional situations, the elastic energy can be expressed equivalently through the left deformation tensor. The predicted isotropic low-temperature nonlinear elastic effects are directly related to the Birch-Murnaghan equation of state with bulk modulus derivative K'=4 for bcc. A two-dimensional generalization suggests K2D '=5 . These predictions are in agreement with ab initio results for large strain bulk deformations of various bcc elements and graphene. Physical nonlinearity arises if the strain dependence of the density wave amplitudes is taken into account and leads to elastic weakening. For anisotropic deformation, the magnitudes of the amplitudes depend on their relative orientation to the applied strain.

  15. 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

  16. Effect of a Transverse Magnetic Field on Stray Grain Formation of Ni-Based Single Crystal Superalloy During Directional Solidification

    NASA Astrophysics Data System (ADS)

    Xuan, Weidong; Liu, Huan; Lan, Jian; Li, Chuanjun; Zhong, Yunbo; Li, Xi; Cao, Guanghui; Ren, Zhongming

    2016-12-01

    The effect of a transverse magnetic field on stray grain formation during directional solidification of superalloy was investigated. Experimental results indicated that the transverse magnetic field effectively suppressed the stray grain formation on the side the primary dendrite diverges from the mold wall. Moreover, the quenched experimental results indicated that the solid/liquid interface shape was obviously changed in a transverse magnetic field. The effect of a transverse magnetic field on stray grain formation was discussed.

  17. 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.

  18. 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.

  19. Pure quadratic or higher-order optical effects in anisotropic crystals induced by external dc fields and probed by a single low-intensity plane electromagnetic wave

    NASA Astrophysics Data System (ADS)

    Melnichuk, Mike; Wood, Lowell T.

    2017-07-01

    The determination of a clear theoretical demarcation between a true or a false quadratic or higher-order low-intensity optical effect induced by an externally applied static or quasistatic (dc) vector field in anisotropic crystals is the scope of the present work. A complete set of necessary and sufficient conditions required for the practical possibility of direct detection, measurement, and tabulation of only those pure optical contributions is finally obtained. The dc electro-optic effect stands out as the most representative of all of these low-power dc optical effects. However, although the dc Kerr effect remains the main topic of application of the analytical treatment developed in this work, the current theoretical formalism is extended to include other dc conventional crystal optics effects, such as electrogyration, electroabsorption, and externally induced ray or energy propagation. Even more, the theoretical conditions are further generalized to apply to any pure higher-order crystal optics effect induced by external dc fields. These can be electric, magnetic, force, and even temperature or concentration gradient fields. The current treatment does not extend to multiple-beam high-intensity nonlinear optics effects induced by optical (ac) fields. Compared to previously published expressions, a more general Fresnel equation is also provided here together with the most general Jones vectors describing the eigenpolarizations of the single probing beam of light. All the generalizations and extensions mentioned in this article are valid as long as the field-dependent coefficients of the particular optical effect under consideration satisfy the equation of a positive-definite complex Hermitian form.

  20. 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.

  1. Crystal-Field Engineering of Solid-State Laser Materials

    NASA Astrophysics Data System (ADS)

    Henderson, Brian; Bartram, Ralph H.

    2005-08-01

    Preface; 1. An introduction to lasers; 2. Symmetry considerations; 3. Optical crystals: their structures, colours and growth; 4. Energy levels of ions in crystals; 5. Spectra of ions in crystals; 6. Radiationless transitions; 7. Energy transfer and excited state absorption; 8. Covalency; 9. Engineering the crystal field; 10. The crystal field engineered.

  2. Spectroscopic and magnetic studies of erbium(III)-TEMPO complex as a potential single-molecule magnet: Interplay of the crystal-field and exchange coupling effects

    NASA Astrophysics Data System (ADS)

    Karbowiak, Mirosław; Rudowicz, Czesław; Nakamura, Takeshi; Murakami, Rina; Ishida, Takayuki

    2016-10-01

    Crystallographic, spectroscopic, and magnetic studies of three-center systems: lanthanoid-Ln3+ ions doubly-coordinated by TEMPO (2,2,6,6-tetramethylpiperidin-1-oxyl) radicals [Ln-TEMPO2] are reported. The temperature dependence of alternating-current magnetic susceptibility indicates the single-molecule-magnet behavior of Er-TEMPO2, exhibiting relatively slow magnetization relaxation. Well-resolved absorption spectra were obtained only for Er-TEMPO2. Other samples yielded spectra not amenable for meaningful interpretation. The crystal-field parameters (CFPs) determined from the measured Er3+-energy levels served as starting CFPs for fitting the direct-current magnetic susceptibility result. Compatibility of the so-determined and fine-tuned CFPs, and interplay between crystal-field-related effects and exchange-coupling effects are considered. Exchange couplings in Ln-TEMPO2 appear antiferromagnetic and unexpectedly large.

  3. 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.

  4. Crystal-field splitting and correlation effect on the electronic structure of A2IrO3.

    PubMed

    Gretarsson, H; Clancy, J P; Liu, X; Hill, J P; Bozin, Emil; Singh, Yogesh; Manni, S; Gegenwart, P; Kim, Jungho; Said, A H; Casa, D; Gog, T; Upton, M H; Kim, Heung-Sik; Yu, J; Katukuri, Vamshi M; Hozoi, L; van den Brink, Jeroen; Kim, Young-June

    2013-02-15

    The electronic structure of the honeycomb lattice iridates Na(2)IrO(3) and Li(2)IrO(3) has been investigated using resonant inelastic x-ray scattering (RIXS). Crystal-field-split d-d excitations are resolved in the high-resolution RIXS spectra. In particular, the splitting due to noncubic crystal fields, derived from the splitting of j(eff)=3/2 states, is much smaller than the typical spin-orbit energy scale in iridates, validating the applicability of j(eff) physics in A(2)IrO(3). We also find excitonic enhancement of the particle-hole excitation gap around 0.4 eV, indicating that the nearest-neighbor Coulomb interaction could be large. These findings suggest that both Na(2)IrO(3) and Li(2)IrO(3) can be described as spin-orbit Mott insulators, similar to the square lattice iridate Sr(2)IrO(4).

  5. Nonlinear effects in photorefractive crystals

    NASA Astrophysics Data System (ADS)

    Erbschloe, Donald R.

    Photorefractive crystals are materials whose index of refraction is altered under illumination by light. These crystals are both photoconductive and electrooptic. When a nonuniform light intensity pattern is present in the material, photocarriers are generated and redistributed, creating space charge electric fields which change the refractive index locally. These crystals are ideal media for real time holography, and applications include wave amplification, image processing, phase conjugation, and laser beam steering for optical interconnects. This thesis investigates many novel aspects of the photorefractive effect. A study of nonreciprocal behavior identifies a new important consideration in the theory of two-wave mixing between counterpropagating beams-namely the presence of a photocurrent, or frequency detuning between the beams results in a spatially varying beam coupling. A numerical treatment of these important cases provides the first systematic theoretical assessment the control of nonreciprocal transmission and phase shift in lithium niobate, a representative photorefractive crystal. A comparison between crystal types suggests candidates for nonreciprocal applications such as an optical diode.

  6. Electric field effect on elastic properties of uniaxial relaxor Sr x Ba1‑ x Nb2O6 single crystals with strong random fields

    NASA Astrophysics Data System (ADS)

    Aftabuzzaman, Md; Helal, Md Al; Dec, Jan; Kleemann, Wolfgang; Kojima, Seiji

    2017-10-01

    The elastic properties of uniaxial relaxor Sr x Ba1‑ x Nb2O6 (x = 0.70, SBN70) single crystals with strong random fields (RFs) were studied by Brillouin scattering spectroscopy as functions of temperature and external electric field along the [001] direction. A remarkable diffuseness of a ferroelectric phase transition was observed both on zero field heating and zero field cooling. The analysis of elastic anomaly shows the stretched critical slowing down of polar nanoregions (PNRs). Under 3.0 kV/cm, a complete alignment of nanodomains and an enhancement of the long-range ferroelectric order were observed below the Curie temperature T C = 23 °C. The alignment of quasistatic PNRs above T C was also observed under a sufficiently strong electric field. In a field-dependent measurement, a mixed state consisting of field-induced macrodomains and nanodomains caused by RFs was observed at 3.4 kV/cm. This mixed state persisted up to 9.0 kV/cm due to the incomplete switching of nanodomains to the macro/single domain state.

  7. 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.

  8. Light beams interaction with highly effective holographic diffraction structure formed in polymer-stabilized liquid crystal under the impact of arbitrarily spatially inhomogeneous electric field

    NASA Astrophysics Data System (ADS)

    Sharangovich, Sergey N.; Semkin, Artem O.

    2016-11-01

    In this work we developed the analytical model of highly effective diffraction on holographic diffraction structures in polymer-stabilized liquid crystals (PSLC) under the impact of arbitrarily inhomogeneous external electric field. The exact self-consistent analytical solutions are obtained by solving the system of coupled-wave equations describing the diffraction process by Riemann's method. They takes into account the electrically-induced phase mismatch changing's inhomogeneity caused by the strong adhesion between liquid crystal molecules and bounding surfaces. According to the obtained relations, numerical simulation of the diffraction characteristics under the influence of external fields with different form of spatial inhomogeneity was made. The simulation results show qualitative compliance with the earlier obtained results.

  9. 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).

  10. Crystal field strength and spin-orbit interaction of Er3+- ground level in crystals

    NASA Astrophysics Data System (ADS)

    Petrov, Dimitar N.

    2017-08-01

    The matrix elements A of spin-orbit interaction (SOI) for the ground level 4I15/2 of Er3+ in crystals have been calculated and found compatible in magnitude with the difference to the first excited level 4I13/2. The dependence of the ratios A(cr)/A(fr), where cr and fr denote ion in crystal and free ion, respectively, on the scalar crystal field parameter Nv has revealed an effect similar to the nephelauxetic effect relative to the normalized limit of the free ion value. The variations with Nv of the maximum splitting of the ground level and the spin-orbit coupling constant for Er3+-containing crystals have been discussed. The examples comprise about 50 stoichiometric or doped halogenides, simple and complex oxides, oxohalides, complexes with organic ligands, and semiconductors, some of which include different site symmetries of Er3+ in a crystal.

  11. 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.

  12. 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.

  13. Nuclear quadrupole spin-lattice relaxation in Bi{sub 4}Ge{sub 3}O{sub 12} single crystals doped with atoms of d or f elements. Crystal field effects in compounds exhibiting anomalous magnetic properties

    SciTech Connect

    Orlov, V. G. Sergeev, G. S.; Asaji, Tetsuo; Kravchenko, E. A.; Kargin, Yu. F.

    2010-02-15

    The nuclear quadrupole spin-lattice relaxation was studied in the range 4.2-300 K for single crystals of Bi{sub 4}Ge{sub 3}O{sub 12} doped with minor amounts (the tenth fractions of mol%) of paramagnetic atoms of Cr, Nd, and Gd. Unusual spin dynamic features were recently found for these crystals at room temperature: a dramatic (up to 8-fold) increase in the effective nuclear quadrupole spin-spin relaxation time T{sub 2}* occurred upon doping the pure Bi{sub 4}Ge{sub 3}O{sub 12} sample. Unlike T{sub 2}*, the effective spin-lattice relaxation time T{sub 1}* at room temperature differs insignificantly for both doped and pure samples. But at lower temperatures, the samples exhibit considerably different behavior of the spin-lattice relaxation with temperature, which is caused by different contributions to the relaxation process of the dopant paramagnetic atoms. The distinctive maximum in the temperature dependence of the spin-lattice relaxation time for the Nd-doped crystal is shown to result from the crystal electric field effects.

  14. 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

  15. 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.

  16. 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.

  17. Statistical electric field and switching time distributions in PZT 1Nb2Sr ceramics: Crystal- and microstructure effects

    NASA Astrophysics Data System (ADS)

    Zhukov, Sergey; Kungl, Hans; Genenko, Yuri A.; von Seggern, Heinz

    2014-01-01

    Dispersive polarization response of ferroelectric PZT ceramics is analyzed assuming the inhomogeneous field mechanism of polarization switching. In terms of this model, the local polarization switching proceeds according to the Kolmogorov-Avrami-Ishibashi scenario with the switching time determined by the local electric field. As a result, the total polarization reversal is dominated by the statistical distribution of the local field magnitudes. Microscopic parameters of this model (the high-field switching time and the activation field) as well as the statistical field and consequent switching time distributions due to disorder at a mesoscopic scale can be directly determined from a set of experiments measuring the time dependence of the total polarization switching, when applying electric fields of different magnitudes. PZT 1Nb2Sr ceramics with Zr/Ti ratios 51.5/48.5, 52.25/47.75, and 60/40 with four different grain sizes each were analyzed following this approach. Pronounced differences of field and switching time distributions were found depending on the Zr/Ti ratios. Varying grain size also affects polarization reversal parameters, but in another way. The field distributions remain almost constant with grain size whereas switching times and activation field tend to decrease with increasing grain size. The quantitative changes of the latter parameters with grain size are very different depending on composition. The origin of the effects on the field and switching time distributions are related to differences in structural and microstructural characteristics of the materials and are discussed with respect to the hysteresis loops observed under bipolar electrical cycling.

  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. Nonlinear Effects in Photorefractive Crystals.

    NASA Astrophysics Data System (ADS)

    Erbschloe, Donald Ross

    1988-12-01

    Available from UMI in association with The British Library. Requires signed TDF. Photorefractive crystals are materials whose index of refraction is altered under illumination by light. These crystals are both photoconductive and electrooptic. When a nonuniform light intensity pattern is present in the material, photocarriers are generated and redistributed, creating space charge electrical fields which change the refractive index locally. These crystals are ideal media for real-time holography, and applications include wave amplification, image processing, phase conjugation, and laser beam steering for optical interconnects. This thesis investigates many novel aspects of the photorefractive effect. A study of nonreciprocal behaviour identifies a new important consideration in the theory of two-wave mixing between counterpropagating beams--namely the presence of a photocurrent, or frequency detuning between the beams results in a spatially varying beam coupling. A numerical treatment of these important cases provides the first systematic theoretical assessment of the control of nonreciprocal transmission and phase shift in lithium niobate, a representative protorefractive crystal. A comparison between crystal types suggests candidates for nonreciprocal applications such as an optical diode. A study of bismuth silicon oxide, Bi_ {12}SiO_{20} , as the active gain medium in an oscillator reveals a novel feature, the presence of a light intensity threshold. For one crystal sample no oscillation occurred for incident intensities less than 0.8 mW/cm^2. A surprising new result is the appearance of higher diffracted orders in a crystal sample with a small wedge angle (0.036 ^circ) due to wave mixing between an incident beam and its first codirectional multiple reflection. Several applications for this new means of obtaining beam interaction are discussed--including the study of the photorefractive coupling for very large grating spacings, the investigation of transient

  20. Temperature dependence of crystal field excitations in CuO.

    PubMed

    Huotari, S; Simonelli, L; Sahle, C J; Sala, M Moretti; Verbeni, R; Monaco, G

    2014-04-23

    We report a study on the temperature dependence of charge-neutral crystal field (dd) excitations in cupric oxide, using nonresonant inelastic x-ray scattering spectroscopy. Thanks to a very high-energy resolution (ΔE = 60 meV), we observe thermal effects on the dd excitation spectrum fine structure between temperatures of 10-320 K. The spectra broaden considerably with increasing temperature, consistently with an enhancement of the coupling between crystal field excitations and the temperature-dependent continuum of states above the band gap. We discuss this and other mechanisms that may explain this temperature dependence.

  1. 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.

  2. 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.

  3. Effects of the vertically switching electric field on the photoelectric properties of polymer-stabilized blue-phase liquid crystal cells using the director model.

    PubMed

    Chi, Cheng-Yu; Qiu, Shi-Hao; Lin, Guan-Jhong; Chen, Tien-Jung; Yang, Yin-Jay; Wu, Jin-Jei

    2017-03-20

    This study uses the director model to analyze the optoelectronic properties of polymer-stabilized blue-phase liquid crystal (PS-BPLC). The director model revealed a linear relationship of refractive index change and the cosine squared of the angle between the LCs and the direction of the electric field. Moreover, we employed simulations based on the Kerr effect and compared the results with those of the director model. The simulation results also show high consistency with real circumstances. Consequently, it can be of great help to design BPLC displays that can be applied to adopting better strategies for developing next-generation LCD devices.

  4. Light emitting ambipolar field-effect transistors of 2,5-bis(4-biphenyl)bithiophene single crystals with anisotropic carrier mobilities

    NASA Astrophysics Data System (ADS)

    Wang, Yan; Kumashiro, Ryotaro; Li, Zhaofei; Nouchi, Ryo; Tanigaki, Katsumi

    2009-09-01

    Ambipolar carrier injection is observed in organic field-effect transistors (FETs) based on 2,5-bis(4-biphenylyl)bithiophene single crystals. The device shows carrier mobilities of 0.04 and 0.02 cm2 V s for holes and electrons, respectively. Strong edge emission is observed, and the emission zone shifts upon the applied gate voltage. Hysteresis is found mainly in the ambipolar and electron-dominated regions. The electron mobility is significantly more sensitive to the transport direction than the hole mobility, suggesting that tuning the transport direction is very important to realize amplified spontaneous emission in organic FETs.

  5. Effect of an applied electric field on a weakly anchored non-planar Nematic Liquid Crystal (NLC) layer

    NASA Astrophysics Data System (ADS)

    Mema, Ensela; Cummings, Linda J.; Kondic, Lou

    We consider a mathematical model that consists of a NLC layer sandwiched between two parallel bounding plates, across which an external field is applied. We investigate its effect on the director orientation by considering the dielectric and flexoelectric contributions and varying parameters that represent the anchoring conditions and the electric field strength. In particular, we investigate possible director configurations that occur in weakly anchored and non-planar systems. We observe that non-planar anchoring angles destroy any hysteresis seen in a planar system by eliminating the fully vertical director configuration and the ''saturation threshold'' seen in weakly anchored planar Freedericksz cells. Supported by NSF Grant No. DMS-1211713.

  6. Polarization proximity effect in isolator crystal pairs.

    PubMed

    Linzon, Y; Ferrera, M; Razzari, L; Pignolet, A; Morandotti, R

    2008-12-01

    We experimentally study the polarization dynamics (orientation and ellipticity) of near-infrared light transmitted through magneto-optical yttrium iron garnet isolator crystal pairs using a modified balanced detection scheme. When the pair separation is in the submillimeter range, we observed a proximity effect in which the saturation field is reduced by up to 20%. One-dimensional calculations suggest that the proximity effect originates from magnetostatic interactions between the dipole moments of the isolator crystals.

  7. Magnetic ordering and crystal field effects in quasi-caged structure compound PrFe2Al8

    NASA Astrophysics Data System (ADS)

    Nair, Harikrishnan S.; Ghosh, Sarit K.; Ramesh Kumar, K.; Strydom, André M.

    2016-04-01

    The compound PrFe2Al8 possesses a three-dimensional network structure resulting from the packing of Al polyhedra centered at the transition metal element Fe and the rare earth Pr. Along the c-axis, Fe and Pr form chains which are separated from each other by the Al-network. In this paper, the magnetism and crystalline electric field effects in PrFe2Al8 are investigated through the analysis of magnetization and specific heat data. A magnetic phase transition in the Pr lattice is identified at TNPr ≈ 4 K in dc magnetization and ac susceptibility data. At 2 K, the magnetization isotherm presents a ferromagnetic saturation, however, failing to reach full spin-only ferromagnetic moment of Pr3+. Metamagnetic step-like low-field features are present in the magnetization curve at 2 K which is shown to shift upon field-cooling the material. Arrott plots centered around TPrN display "S"-like features suggestive of an inhomogeneous magnetic state. The magnetic entropy, Sm, estimated from specific heat outputs a value of R ln(2) at TN2 suggesting a doublet state for Pr3+. The magnetic specific heat is modeled by using a 9-level Schottky equation pertinent to the Pr3+ ion with J=4. Given the crystalline electric field situation of Pr3+, the inference of a doublet state from specific heat and consequent long-range magnetic order is an unexpected result.

  8. Towards understanding the behavior of indigo thin films in organic field-effect transistors: a template effect of the aliphatic hydrocarbon dielectric on the crystal structure and electrical performance of the semiconductor.

    PubMed

    Anokhin, Denis V; Leshanskaya, Lidiya I; Piryazev, Alexey A; Susarova, Diana K; Dremova, Nadezhda N; Shcheglov, Evgeniy V; Ivanov, Dimitri A; Razumov, Vladimir F; Troshin, Pavel A

    2014-07-21

    Here we report a systematic investigation of indigo thin films grown on different dielectric underlayers. It has been revealed that aliphatic hydrocarbon chains serve as templates inducing the formation of a new crystal modification of indigo which possesses advanced charge transport properties and affords a dramatic improvement in the electrical performance of organic field-effect transistors.

  9. Comparative numerical study of the effects of rotating and traveling magnetic fields on the carbon transport in the solution growth of SiC crystals

    NASA Astrophysics Data System (ADS)

    Mercier, Frédéric; Nishizawa, Shin-ichi

    2013-01-01

    We present numerical simulations of the high temperature solution growth (HTSG) of silicon carbide (SiC) crystals. From a global simulation model, we investigate the influence of rotating magnetic fields (RMFs) and traveling magnetic fields (TMFs) on the crystal growth rate. The results reveal that heat and mass transfers are affected by magnetic fields. We show that direction of the solute flux must be controlled to increase the growth rate. For example, in presence of TMFs directed downwards the growth rate increases up to three times compared with the pure thermal HTSG. The proposed HTSG system coupled with magnetic fields has the same growth rate possibility as in the sublimation technique.

  10. Bias-stress characterization of solution-processed organic field-effect transistor based on highly ordered liquid crystals

    NASA Astrophysics Data System (ADS)

    Kunii, M.; Iino, H.; Hanna, J.

    2017-06-01

    Bias-stress effects in solution-processed, 2-decyl-7-phenyl-[1]benzothieno[3,2-b][1]benzothiophene (Ph-BTBT-10) field effect transistors (FETs) are studied under negative and positive direct current bias. The bottom gate, bottom contact polycrystalline Ph-BTBT-10 FET with a hybrid gate dielectric of polystyrene and SiO2 shows high field effect mobility as well as a steep subthreshold slope when fabricated with a highly ordered smectic E liquid crystalline (SmE) film as a precursor. Negative gate bias-stress causes negative threshold voltage shift (ΔVth) for Ph-BTBT-10 FET in ambient air, but ΔVth rapidly decreases as the gate bias decreases and approaches to near zero when the gate bias goes down to 9 V in amplitude. In contrast, positive gate bias-stress causes negligible ΔVth even with a relatively high bias voltage. These results conclude that Ph-BTBT-10 FET has excellent bias-stress stability in ambient air in the range of low to moderate operating voltages.

  11. Hysteresis behaviors of the crystal field diluted general spin-S Ising model

    NASA Astrophysics Data System (ADS)

    Akıncı, Ümit

    2017-10-01

    Hysteresis characteristics of the crystal field diluted general Spin-S (S > 1) Blume-Capel model have been studied within the effective field approximation. Particular emphasis has been paid on the large negative valued crystal field and low temperature region and it has been demonstrated for this region that, rising dilution of the crystal field results in decreasing number of windowed hysteresis loops. The evolution of the multiple hysteresis loop with the dilution of the crystal field has been investigated and physical mechanism behind this evolution has been given.

  12. 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.

  13. Metallic field effect transistors

    NASA Astrophysics Data System (ADS)

    Farooq, Hassan

    This thesis investigates the principle of operation behind metallic-field effect transistors (METFETs) through a systematic study of atomistic simulations performed on metallic bulk, nanowire and transistor structures. In particular, density functional theory (DFT) and non-equilibrium green's function (NEGF) based models were used to study the effect on the bandstructure and density of states of highly scaled metallic nanowires with varying parameters such as crystal orientation, cross-sectional area, and applied external bias. Similarly, the effect of varying similar parameters on the transfer and output characteristics of highly scaled metallic transistors was studied. Furthermore, oxide interfaces with metallic channels were investigated. The simulation results show that a gold METFET in the [100] crystal orientation has an I ON /IOFF ratio of 41, ION of 29.5microA and fT of 6.7THz, outperforming similarly sized MOSFETs as a promising alternative for use in high-frequency circuits.

  14. Net-charge-compensation effects on the crystal field and the spin Hamiltonian for the Fe3+ ions at the K+-vacancy sites in Fe3+:KZnF3 and Fe3+:KMgF3 crystals

    NASA Astrophysics Data System (ADS)

    Yu, Wan-Lun

    1995-08-01

    A microscopic theory is presented for the spin-Hamiltonian (SH) parameters of 6S(d5) ions in trigonal symmetry. This theory establishes the relationships between the SH and the crystal-field (CF) parameters. It enables us to study the net-charge-compensation (NCC) SH effect as a result of the NCC CF contribution for Fe3+ ions at the trigonal K+-vacancy sites in Fe3+:KZnF3. The microscopic contributions to the NCC CF parameters are then investigated, by proposing vacancy-induced lattice-distortion models according to the ENDOR data of Krebs and Jeck. In particular, the vacancy-induced and the distortion-induced dipolar effects are suggested and the former is found important.

  15. Crystal field and magnetic properties of ErH3

    NASA Technical Reports Server (NTRS)

    Flood, D. J.

    1977-01-01

    Magnetization and magnetic susceptibility measurements have been made in the temperature range 1.3 to 4.2 K on powdered samples of ErH3. The susceptibility exhibits Curie-Weiss behavior from 4.2 to 2 K, and intercepts the negative temperature axis at 1.05 + or - 0.05 K, indicating that the material is antiferromagnetic. The low field effective moment is 6.77 + or - 0.27 Bohr magnetons per ion. The magnetization exhibits a temperature independent contribution, the slope of which is (5 + or - 1.2) times 10 to the minus 6 Weber m/kg Tesla. The saturation moment is 3.84 + or - 0.15 Bohr magnetons per ion. The results can be qualitatively explained by the effects of crystal fields on the magnetic ions. No definitive assignment of a crystal field ground state can be given, nor can a clear choice between cubically or hexagonally symmetric crystal fields be made. For hexagonal symmetry, the first excited state is estimated to be 86 to 100 K above the ground state. For cubic symmetry, the splitting is of the order of 160 to 180 K.

  16. 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.

  17. Protein Crystal Growth in Gels and Stationary Magnetic Fields

    SciTech Connect

    Moreno,A.; Quiroz-Garcia, B.; Yokaichiya, F.; Stojanoff, V.; Rudolph, P.

    2007-01-01

    Thaumatin, lysozyme, and ferritin single crystals were grown in solutions and gels without and with surrounding strong stationary magnetic fields. The crystal size, number and alignment in dependence on the induction force were analyzed. The crystal quality, like mosaicity, as function of the magnetic force is discussed by using synchrotron X-ray diffraction analysis.

  18. 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.

  19. Effects of magnetic field and twin domains on magnetostructural phase mixture in Mn3O4 : Raman scattering studies of untwinned crystals

    NASA Astrophysics Data System (ADS)

    Byrum, T.; Gleason, S. L.; Thaler, A.; MacDougall, G. J.; Cooper, S. L.

    2016-05-01

    The ferrimagnetic spinel Mn3O4 exhibits large and anisotropic changes in electronic and structural properties in response to an applied magnetic field. These changes are thought to result from the field-dependent tuning—via strong spin-lattice coupling—between two nearly degenerate magnetostructural phases. Recent variable-magnetic-field studies of Mn3O4 have been performed on melt-grown crystals, which can exhibit twin domains due to a Jahn-Teller structural transition below the melting temperature. Because of the near degeneracy of the magnetostructural phases, however, strain associated with the twin domains likely affects the magnetic responses of Mn3O4 . In this report, we present a variable-magnetic-field Raman scattering study of untwinned Mn3O4 crystals grown out of a flux below the Jahn-Teller structural transition. We measure distinct q =0 magnetic and vibrational excitation spectra for each isolated magnetostructural phase of untwinned Mn3O4 crystals and determine the symmetries of the observed excitations. We determine how the magnetostructural phase mixture changes in response to magnetic fields applied in the magnetic easy plane. Last, by comparing results on flux- and melt-grown Mn3O4 crystals, we show that the intrinsic mixture of the two magnetostructural phases is indeed strongly influenced by the presence of twin domains.

  20. 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.

  1. 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.

  2. 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

  3. Crystal field in TmCu 2 compound

    NASA Astrophysics Data System (ADS)

    Zajac, Š.; Diviš, M.; Šíma, V.; Smetana, Z.

    1988-12-01

    The crystal field splitting in orthorhombic TmCu 2 compound has been determined by the analysis of the specific heat and thermal expansion measurements. The crystal field parameters of second-order are in agreement and the parameters of fourth- and sixth-order are significantly different from that calculated in the point-charge model.

  4. 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.

  5. The effect of an electric field on the morphological stability of the crystal-melt interface of a binary alloy

    NASA Technical Reports Server (NTRS)

    Wheeler, A. A.; Coriell, S. R.; Mcfadden, G. B.; Hurle, D. T. J.

    1988-01-01

    A fully time-dependent linear stability analysis of the morphological stability of a planar interface during directional solidification of a binary alloy at constant velocity in the presence of an electric field, is performed. The electromigration of solute and the differing electrical conductivities of solid and liquid for a model in which the temperature gradient is constant are taken into account. The present results are compared with the constitutional supercooling criterion, and it is shown there may be substantial differences. A modified constitutional supercooling criterion which is valid over a large range of conditions is derived. It is also found under certain conditions that the onset of instability may be time dependent.

  6. Exchange charge model of crystal field for 3d ions

    NASA Astrophysics Data System (ADS)

    Brik, M. G.; Avram, N. M.; Avram, C. N.

    In the second chapter of the book the authors present the results of theoretical studies ofthe energy levels schemes of all 3dn (n=1, 9) ionsin various crystals at the substitutionalsites. Systematic calculations are described in all details; they include the overlap integrals between the impurityions' and ligands' wave functions; the crystal field parameters calculations, and diagonalization of the crystal field Hamiltonians for each considered case. The calculated results arediscussed and compared with experimental data and with similar results from literature. The chapter also contains a comprehensive literature review on the properties of 3d-ions doped crystals.

  7. Polyelectrolyte effects on the crystallization phenomena of the lithium carbonate

    NASA Astrophysics Data System (ADS)

    Watamura, Hiroto; Marukawa, Hironobu; Hirasawa, Izumi

    2013-06-01

    Anionic polyelectrolyte effects on the lithium carbonate crystallization phenomena were investigated. Li2CO3 crystals were obtained by reactive crystallization with seed crystals. Polyelectrolytes were dissolved into the reactive field before the reaction. Obtained crystals were observed with scanning electron microscopy (SEM) and crystal size and agglomeration degree were measured by the SEM images. The results show that Li2CO3 crystallized different shape and size from absence of polyelectrolyte in those reactive fields. Especially polyacrylic acid (PAA) improved on the agglomeration of the crystals and shaped them high aspect needles. Thus other experimental conditions including PAA molecular weight and concentration, reaction time, supersaturation by Li concentration were investigated in addition. As a result, obtained crystals were not different in each PAA molecular weight reactive fields. Meanwhile PAA concentration has optimum range. Li2CO3 formed less agglomeration and higher aspect around 1 g/l. In the concentration, Li2CO3 did not agglomerate regardless of aging time and Li concentration. Moreover crystals became rectangle shape in higher Li concentration.(020) face intensity of the rectangle shape crystals increased according to XRD pattern. PAA affected the facial growth. These results may provide a method of morphological change and clearly crystallization of Li2CO3.

  8. 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.

  9. 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

  10. Crystal-Field Engineering of Solid-State Laser Materials

    NASA Astrophysics Data System (ADS)

    Henderson, Brian; Bartram, Ralph H.

    2005-08-01

    This book examines the underlying science and design of laser materials. It emphasizes the principles of crystal-field engineering and discusses the basic physical concepts that determine laser gain and nonlinear frequency conversion in optical crystals. Henderson and Bartram develop the predictive capabilities of crystal-field engineering to show how modification of the symmetry and composition of optical centers can improve laser performance. They also discuss applications of the principles of crystal-field engineering to a variety of optical crystals in relation to the performances of laser devices. This book will be of considerable interest to physical, chemical and material scientists and to engineers involved in the science and technology of solid state lasers.

  11. Crystal-Field Engineering of Solid-State Laser Materials

    NASA Astrophysics Data System (ADS)

    Henderson, Brian; Bartram, Ralph H.

    2000-07-01

    This book examines the underlying science and design of laser materials. It emphasizes the principles of crystal-field engineering and discusses the basic physical concepts that determine laser gain and nonlinear frequency conversion in optical crystals. Henderson and Bartram develop the predictive capabilities of crystal-field engineering to show how modification of the symmetry and composition of optical centers can improve laser performance. They also discuss applications of the principles of crystal-field engineering to a variety of optical crystals in relation to the performances of laser devices. This book will be of considerable interest to physical, chemical and material scientists and to engineers involved in the science and technology of solid state lasers.

  12. Effective medium theory of photonic crystals

    NASA Astrophysics Data System (ADS)

    Lu, W. T.; Zhang, S.; Huang, Y. J.; Sridhar, S.

    2008-03-01

    We develop an effective medium theory for photonic crystals including negative index metamaterials. This theory is based on field summation within the unit cell. The unit cell is determined by the surface termination. The orientation of the surface breaks the field summation symmetry. This theory is self-consistent. The effective permittivity and permeability tensors will give the exact dispersion relation obtained from the band structure calculation. For waves incident into multilayered structures, our theory gives exact transmittance and reflectance for any wavelengths. For interface with periodic surface structures, our theory gives very accurate results for wavelength down to being comparable with the lattice spacing. By properly taking into account the multiple Bloch modes inside the photonic crystal, our theory can be made to give exact Bragg coefficients.

  13. 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

  14. 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.

  15. 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.

  16. Eighth-order phase-field-crystal model for two-dimensional crystallization

    NASA Astrophysics Data System (ADS)

    Jaatinen, A.; Ala-Nissila, T.

    2010-12-01

    We present a derivation of the recently proposed eighth-order phase-field crystal model [A. Jaatinen , Phys. Rev. E 80, 031602 (2009)10.1103/PhysRevE.80.031602] for the crystallization of a solid from an undercooled melt. The model is used to study the planar growth of a two-dimensional hexagonal crystal, and the results are compared against similar results from dynamical density functional theory of Marconi and Tarazona, as well as other phase-field crystal models. We find that among the phase-field crystal models studied, the eighth-order fitting scheme gives results in good agreement with the density functional theory for both static and dynamic properties, suggesting it is an accurate and computationally efficient approximation to the density functional theory.

  17. Giant rotating magnetocaloric effect in RNi5 single crystals

    NASA Astrophysics Data System (ADS)

    de Oliveira, N. A.

    2017-04-01

    In this paper we theoretically discuss the rotating magnetocaloric effect in RNi5 (R = Nd , Tb , Dy , Er) single crystals, by using a model of interacting magnetic moments including the interaction with the crystal electric field. Our theoretical calculations show that the rotating magnetocaloric effect in RNi5 single crystals is as large as the conventional one. This fact points out that these single crystals are also good candidates to be used in magnetic refrigerators working at low temperatures and based on the rotating magnetocaloric effect.

  18. Dielectric Dispersion Effects in Liquid Crystals.

    NASA Astrophysics Data System (ADS)

    Lavrentovich, Oleg; Yin, Ye; Gu, Mingxia; Shiyanovskii, Sergij

    2006-03-01

    As the switching speed in practical LC devices is pushed from the currently common 10 ms to sub-millisecond levels, it is important to take into account the effects associated with the finite rate with which the electric displacement changes in the external electric field. We discuss two important general consequences of the dielectric relaxation phenomenon: (1) Non-local time relationship between the electric displacement and the electric field [1]. In a quickly changing electric field, orientation of the liquid crystal depends not only on the instantaneous value of the electric field, but also on the previous values of the field and previous orientations of the material. (2) Dielectric heating. [1] Y. Yin, S.V. Shiyanovskii, A.B. Golovin, and O. D. Lavrentovich, Phys. Rev. Lett. 95, 087801 (2005) .

  19. 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.

  20. Field induced heliconical structure of cholesteric liquid crystal

    DOEpatents

    Lavrentovich, Oleg D.; Shiyanovsii, Sergij V.; Xiang, Jie; Kim, Young-Ki

    2017-06-27

    A diffraction grating comprises a liquid crystal (LC) cell configured to apply an electric field through a cholesteric LC material that induces the cholesteric LC material into a heliconical state with an oblique helicoid director. The applied electric field produces diffracted light from the cholesteric LC material within the visible, infrared or ultraviolet. The axis of the heliconical state is in the plane of the liquid crystal cell or perpendicular to the plane, depending on the application. A color tuning device operates with a similar heliconical state liquid crystal material but with the heliconical director axis oriented perpendicular to the plane of the cell. A power generator varies the strength of the applied electric field to adjust the wavelength of light reflected from the cholesteric liquid crystal material within the visible, infrared or ultraviolet.

  1. 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.

  2. Effect of magnetic ordering of Dy2BaNiO5 on the crystal-field levels of dysprosium: optical spectroscopy of f-f transitions

    NASA Astrophysics Data System (ADS)

    Galkin, A. S.; Klimin, S. A.

    2016-12-01

    Optical transmission spectroscopy study of the Haldane magnet Dy2BaNiO5 was performed in the region of f-f transitions of the Dy3+ ion in a wide range of temperatures (5-300 K). At temperatures lower than TN (59 K), Kramers doublets of the rare-earth ion split. Spectroscopic data obtained were used to calculate the Schottky-type anomaly in the temperature dependence of the magnetic susceptibility of Dy2BaNiO5 and to model the experimental data available in literature. Anomalous behavior of crystal-field energies of the Dy3+ ion was attributed to the magnetoelectric interactions.

  3. Anomalies in thermal expansion and heat capacity of TmB50 at low temperatures: magnetic phase transition and crystal electric field effect.

    PubMed

    Novikov, V V; Zhemoedov, N A; Mitroshenkov, N V; Matovnikov, A V

    2016-11-01

    We experimentally study the heat capacity and thermal expansion of thulium boride (TmB50) at temperatures of 2-300 K. The wide temperature range (2-180 K) of boride negative expansion was revealed. We found the anomalies in C(T) heat capacity temperature dependence, attributed to the Schottky contribution (i.e. the influence of the crystal electric field: CEF), as well as the magnetic phase transition. CEF-splitting of the f-levels of the Tm(3+) ion was described by the Schottky function of heat capacity with a quasi-quartet in the ground state. Excited multiplets are separated from the ground state by energy gaps δ1 = 100 K, and δ2 ≈ 350 K. The heat capacity maximum at Tmax ≈ 2.4 K may be attributed to the possible magnetic transition in TmB50. Other possible causes of the low-temperature maximum of C(T) dependence are the nonspherical surroundings of rare earth atoms due to the boron atoms in the crystal lattice of the boride and the emergence of two-level systems, as well as the splitting of the ground multiplet due to local magnetic fields of the neighboring ions of thulium. Anomalies in heat capacity are mapped with the thermal expansion features of boride. It is found that the TmB50 thermal expansion characteristic features are due to the influence of the CEF, as well as the asymmetry of the spatial arrangement of boron atoms around the rare earth atoms in the crystal lattice of RB50. The Grüneisen parameters, corresponding to the excitation of different multiplets of CEF-splitting, were determined. A satisfactory accordance between the experimental and estimated temperature dependencies of the boride thermal expansion coefficient was achieved.

  4. 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.

  5. 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.

  6. 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.

  7. 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).

  8. 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

  9. 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.

  10. Physical modelling of Czochralski crystal growth in horizontal magnetic field

    NASA Astrophysics Data System (ADS)

    Grants, Ilmārs; Pal, Josef; Gerbeth, Gunter

    2017-07-01

    This study addresses experimentally the heat transfer, the temperature azimuthal non-uniformity and the onset of oscillations in a low temperature physical model of a medium-sized Czochralski crystal growth process with a strong horizontal magnetic field (HMF). It is observed that under certain conditions the integral heat flux may decrease with increasing magnetic field strength at the same time as the flow velocity increases. The azimuthal non-uniformity of the temperature field in the melt near the crystal model rim is only little influenced by its rotation rate outside of a narrow range where the centrifugal force balances the buoyant one. The flow oscillation onset has been observed for two values of the HMF strength. Conditions of this onset are little influenced by the crystal rotation. The critical temperature difference of the oscillation onset considerably exceeds that of the Rayleigh-Bénard (RB) cell in a strong HMF.

  11. Crystallization of ethylene/alpha-olefin copolymers in shear fields

    NASA Astrophysics Data System (ADS)

    Shamsundar, R.

    2005-03-01

    Metallocene ethylene-co-α-olefins represent model materials to investigate the effect of ``non-crystallizable defects'' on crystallization of sheared copolymers. We present results on polymers having similar molecular weight and polydispersity (viz. same chain mobility), but varying comonomer percentage (viz. varying topological contraints on crystallization). Shear crystallization experiments are performed in a Linkam shear cell using optical techniques to monitor phase change. The polymer is melted at an elevated temperature, then sheared at a controlled rate for a fixed duration. After shearing, the polymer is cooled to a temperature chosen such that the quiescent crystallization time at that temperature is around 5000 s. Therefore, the crystallization temperature varies with comonomer content and serves only as a ``read-out'' to determine the effect of shearing. Shearing a copolymer (containing just 1 mole percent comonomer) has almost no effect on crystallization kinetics under conditions where shear greatly accelerates homopolymer crystallization. As chain relaxation dynamics are similar for all our polymers, shear enhanced crystallization kinetics in homopolymers is due to the formation of precursors during shear. These precursors are not formed for copolymers. Thus, while precursor formation happens via a rheological pathway, the ``crystallizability'' of the polymer chain determines the chance of precursor formation.

  12. 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.

  13. 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

  14. 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

  15. Effects of impurities on crystal growth in fructose crystallization

    NASA Astrophysics Data System (ADS)

    Chu, Y. D.; Shiau, L. D.; Berglund, K. A.

    1989-10-01

    The influence of impurities on the crystallization of anhydrous fructose from aqueous solution was studied. The growth kinetics of fructose crystals in the fructose-water-glucose and fructose-water-difructose dianhydrides systems were investigated using photomicroscopic contact nucleation techniques. Glucose is the major impurity likely to be present in fructose syrup formed during corn wet milling, while several difructose dianhydrides are formed in situ under crystallization conditions and have been proposed as a cause in the decrease of overall yields. Both sets of impurities were found to cause inhibition of crystal growth, but the mechanisms responsible in each case are different. It was found that the presence of glucose increases the solubility of fructose in water and thus lowers the supersaturation of the solution. This is probably the main effect responsible for the decrease of crystal growth. Since the molecular structures of difructose dianhydrides are similar to that of fructose, they are probably "tailor-made" impurities. The decrease of crystal growth is probably caused by the incorporation of these impurities into or adsorption to the crystal surface which would accept fructose molecules in the orientation that existed in the difructose dianhydride.

  16. Experimental study of superconductivity in single crystal few-layer NbSe2 and the effect of high electric fields

    NASA Astrophysics Data System (ADS)

    Staley, Neal; Li, Linjun; Xu, Zhuan; Liu, Ying

    2009-03-01

    There have been many studies on superconducting properties in two dimensional films. However, a detailed study of superconducting properties in the two-dimensional limit when crystallinity is still retained, which will allow the probing of band dependent superconductivity in 2D, has not been performed. Due to concerns over defects in ultra thin films deposited in the usual methods, we use the methods developed in preparing micromechanically exfoliated graphene devices. In these samples the band structure is present while maintaining extremely low defect density. Inspired by this simple process that created single crystal single sheet graphite we fabricated ultra thin single crystalline NbSe2 flakes ranging from single to many sheets as estimated using an optical technique correlated to AFM and Raman spectroscopy measurements. Transport and planar tunnel junction devices were fabricated using standard ebeam lithography techniques. We will also study the behavior of of these devices in high electric fields.

  17. Crystallization of Calcium Carbonate in a Large Scale Field Study

    NASA Astrophysics Data System (ADS)

    Ueckert, Martina; Wismeth, Carina; Baumann, Thomas

    2017-04-01

    The long term efficiency of geothermal facilities and aquifer thermal energy storage in the carbonaceous Malm aquifer in the Bavarian Molasse Basin is seriously affected by precipitations of carbonates. This is mainly caused by pressure and temperature changes leading to oversaturation during production. Crystallization starts with polymorphic nuclei of calcium carbonate and is often described as diffusion-reaction controlled. Here, calcite crystallization is favoured by high concentration gradients while aragonite crystallization is occurring at high reaction rates. The factors affecting the crystallization processes have been described for simplified, well controlled laboratory experiments, the knowledge about the behaviour in more complex natural systems is still limited. The crystallization process of the polymorphic forms of calcium carbonate were investigated during a heat storage test at our test site in the eastern part of the Bavarian Molasse Basin. Complementary laboratory experiments in an autoclave were run. Both, field and laboratory experiments were conducted with carbonaceous tap water. Within the laboratory experiments additionally ultra pure water was used. To avoid precipitations of the tap water, a calculated amount of {CO_2} was added prior to heating the water from 45 - 110°C (laboratory) resp. 65 - 110°C (field). A total water volume of 0.5 L (laboratory) resp. 1 L (field) was immediately sampled and filtrated through 10 - 0.1

  18. Effects of magnetic fields 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; Sawamura, Masashi; Ishida, Kazuya; Sekimoto, Shunsuke; Watanabe, Chiharu; Yamamoto, Takashi; Minami, Hidetoshi; Tachiki, Masashi; Kadowaki, Kazuo

    2013-11-01

    We have measured the magnetic field effect of THz radiation emitted from a mesa structure fabricated from high-quality high-transition temperature (Tc) superconductor single crystalline Bi2Sr2CaCu2O8+δ using a newly developed measurement system in magnetic fields up to 6 T. The results show that the THz radiation was strongly suppressed in magnetic fields with a considerable anisotropy: about 20 Oe magnetic field is sufficient for the total suppression of the THz radiation for the field being parallel to the c-axis, while for the field being parallel to the ab-plane the radiation has first a slight hump at about 50 Oe, then has a sudden drop at about 150 Oe, and shows a step-wise structure between about 200 and 300 Oe before the intensity diminishes completely below the detection sensitivity limit at about 450 Oe. These characteristic features are discussed in comparison with recent theoretical works.

  19. Rashba coupling amplification by a staggered crystal field

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

    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.

  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. 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

    positioning the crystal growth cell so that the magnetic susceptibility force counteracts terrestrial gravity. The general objective is to test the hypothesis of convective control using a strong magnetic field and magnetic field gradient and to understand the nature of the various forces that come into play. Specifically we aim to delineate causative factors and to quantify them through experiments, analysis and numerical modeling. Once the basic understanding is obtained, the study will focus on testing the hypothesis on proteins of pyruvate dehydrogenase complex (PDC), proteins E1 and E3. Obtaining high crystal quality of these proteins is of great importance to structural biologists since their structures need to be determined. Specific goals for the investigation are: 1. To develop an understanding of convection control in diamagnetic fluids with concentration gradients through experimentation and numerical modeling. Specifically solutal buoyancy driven convection due to crystal growth will be considered. 2. To develop predictive measures for successful crystallization in a magnetic field using analyses and numerical modeling for use in future protein crystal growth experiments. This will establish criteria that can be used to estimate the efficacy of magnetic field flow damping on crystallization of candidate proteins. 3. To demonstrate the understanding of convection damping by high magnetic fields to a class of proteins that is of interest and whose structure is as yet not determined. 4. To compare quantitatively, the quality of the grown crystals with and without a magnetic field. X-ray diffraction techniques will be used for the comparative studies. In a preliminary set of experiments, we studied crystal dissolution effects in a 5 Tesla magnet available at NASA Marshall Space Flight Center (MSFC). Using a Schlieren setup, a 1mm crystal of Alum (Aluminum-Potassium Sulfate) was introduced in a 75% saturated solution and the resulting dissolution plume was observed

  2. Crystal packing effects on protein loops.

    PubMed

    Rapp, Chaya S; Pollack, Rena M

    2005-07-01

    The effects of crystal packing on protein loop structures are examined by (1) a comparison of loops in proteins that have been crystallized in alternate packing arrangements, and (2) theoretical prediction of loops both with and without the inclusion of the crystal environment. Results show that in a minority of cases, loop geometries are dependent on crystal packing effects. Explicit representation of the crystal environment in a loop prediction algorithm can be used to model these effects and to reconstruct the structures, and relative energies, of a loop in alternative packing environments. By comparing prediction results with and without the inclusion of the crystal environment, the loop prediction algorithm can further be used to identify cases in which a crystal structure does not represent the most stable state of a loop in solution. We anticipate that this capability has implications for structural biology.

  3. 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.

  4. Anisotropic magnetic properties and crystal electric field studies on CePd2Ge2 single crystal.

    PubMed

    Maurya, Arvind; Kulkarni, R; Dhar, S K; Thamizhavel, A

    2013-10-30

    The anisotropic magnetic properties of the antiferromagnetic compound CePd2Ge2, crystallizing in the tetragonal crystal structure have been investigated in detail on a single crystal grown by the Czochralski method. From the electrical transport, magnetization and heat capacity data, the Néel temperature is confirmed to be 5.1 K. Anisotropic behaviour of the magnetization and resistivity is observed along the two principal crystallographic directions-namely, [100] and [001]. The isothermal magnetization measured in the magnetically ordered state at 2 K exhibits a spin reorientation at 13.5 T for the field applied along the [100] direction, whereas the magnetization is linear along the [001] direction attaining a value of 0.94 μ(B)/Ce at 14 T. The reduced value of the magnetization is attributed to the crystalline electric field (CEF) effects. A sharp jump in the specific heat at the magnetic ordering temperature is observed. After subtracting the phononic contribution, the jump in the heat capacity amounts to 12.5 J K(-1)mol(-1) which is the expected value for a spin ½ system. From the CEF analysis of the magnetization data the excited crystal field split energy levels were estimated to be at 120 K and 230 K respectively, which quantitatively explains the observed Schottky anomaly in the heat capacity. A magnetic phase diagram has been constructed based on the field dependence of magnetic susceptibility and the heat capacity data.

  5. Tailor-made force fields for crystal-structure prediction.

    PubMed

    Neumann, Marcus A

    2008-08-14

    A general procedure is presented to derive a complete set of force-field parameters for flexible molecules in the crystalline state on a case-by-case basis. The force-field parameters are fitted to the electrostatic potential as well as to accurate energies and forces generated by means of a hybrid method that combines solid-state density functional theory (DFT) calculations with an empirical van der Waals correction. All DFT calculations are carried out with the VASP program. The mathematical structure of the force field, the generation of reference data, the choice of the figure of merit, the optimization algorithm, and the parameter-refinement strategy are discussed in detail. The approach is applied to cyclohexane-1,4-dione, a small flexible ring. The tailor-made force field obtained for cyclohexane-1,4-dione is used to search for low-energy crystal packings in all 230 space groups with one molecule per asymmetric unit, and the most stable crystal structures are reoptimized in a second step with the hybrid method. The experimental crystal structure is found as the most stable predicted crystal structure both with the tailor-made force field and the hybrid method. The same methodology has also been applied successfully to the four compounds of the fourth CCDC blind test on crystal-structure prediction. For the five aforementioned compounds, the root-mean-square deviations between lattice energies calculated with the tailor-made force fields and the hybrid method range from 0.024 to 0.053 kcal/mol per atom around an average value of 0.034 kcal/mol per atom.

  6. Density functional theory of the crystal field in dioxides

    NASA Astrophysics Data System (ADS)

    Diviš, M.; Kuriplach, J.; Richter, M.; Steinbeck, L.

    1996-04-01

    Presented are the results of ab-initio density functional calculations for PrO2 and UO2 using the general potential LAPW and optimized LCAO method in the local density approximation. The crystal field splitting of ionic Pr4+ and U4+ ground states was calculated and compared with predictions of a superposition model.

  7. 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.

  8. Effect of field modulation on the quasi-phase-matching for second harmonic generation in a two-dimensional nonlinear photonic crystal

    NASA Astrophysics Data System (ADS)

    Zhao, Li-Ming; Zhou, Yun-Song; Wang, Ai-Hua

    2017-02-01

    Second harmonic generation (SHG) in a two-dimensional (2D) nonlinear photonic crystal (NPC) with finite width along z-direction that is embedded in air is investigated, without adopting the traditional approximations such as a plane-wave approximation (PWA) and slowly varying amplitude approximation (SVAA). The so-called quasi-phase-matching (QPM) and the corresponding SHG conversion efficiency can be modulated significantly by the field of fundamental wave (FW). It is assumed that the incident light, along z-direction, is normally launched upon the surface of the sample, and QPM for different directions is investigated. It is found that the QPM shows significant differences, compared with the traditional QPM along the two different directions: in the direction of finite width of the sample, the peak value of SHG conversion efficiency is deviated from the traditional case and it gets to its peak values when the transmittance resonance occurs. However, in the other direction, the deviation from the traditional QPM arises from the field modulation of the second harmonic wave (SHW) and in this direction, it is investigated that the full width at half maximum of QPM is much wider than that in the direction of finite width of the sample. These results can be used to provide a theoretical guidance for achieving QPM SHG.

  9. 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.

  10. Modeling nuclear volume isotope effects in crystals.

    PubMed

    Schauble, Edwin A

    2013-10-29

    Mass-independent isotope fractionations driven by differences in volumes and shapes of nuclei (the field shift effect) are known in several elements and are likely to be found in more. All-electron relativistic electronic structure calculations can predict this effect but at present are computationally intensive and limited to modeling small gas phase molecules and clusters. Density functional theory, using the projector augmented wave method (DFT-PAW), has advantages in greater speed and compatibility with a three-dimensional periodic boundary condition while preserving information about the effects of chemistry on electron densities within nuclei. These electron density variations determine the volume component of the field shift effect. In this study, DFT-PAW calculations are calibrated against all-electron, relativistic Dirac-Hartree-Fock, and coupled-cluster with single, double (triple) excitation methods for estimating nuclear volume isotope effects. DFT-PAW calculations accurately reproduce changes in electron densities within nuclei in typical molecules, when PAW datasets constructed with finite nuclei are used. Nuclear volume contributions to vapor-crystal isotope fractionation are calculated for elemental cadmium and mercury, showing good agreement with experiments. The nuclear-volume component of mercury and cadmium isotope fractionations between atomic vapor and montroydite (HgO), cinnabar (HgS), calomel (Hg2Cl2), monteponite (CdO), and the CdS polymorphs hawleyite and greenockite are calculated, indicating preferential incorporation of neutron-rich isotopes in more oxidized, ionically bonded phases. Finally, field shift energies are related to Mössbauer isomer shifts, and equilibrium mass-independent fractionations for several tin-bearing crystals are calculated from (119)Sn spectra. Isomer shift data should simplify calculations of mass-independent isotope fractionations in other elements with Mössbauer isotopes, such as platinum and uranium.

  11. Modeling nuclear volume isotope effects in crystals

    PubMed Central

    Schauble, Edwin A.

    2013-01-01

    Mass-independent isotope fractionations driven by differences in volumes and shapes of nuclei (the field shift effect) are known in several elements and are likely to be found in more. All-electron relativistic electronic structure calculations can predict this effect but at present are computationally intensive and limited to modeling small gas phase molecules and clusters. Density functional theory, using the projector augmented wave method (DFT-PAW), has advantages in greater speed and compatibility with a three-dimensional periodic boundary condition while preserving information about the effects of chemistry on electron densities within nuclei. These electron density variations determine the volume component of the field shift effect. In this study, DFT-PAW calculations are calibrated against all-electron, relativistic Dirac–Hartree–Fock, and coupled-cluster with single, double (triple) excitation methods for estimating nuclear volume isotope effects. DFT-PAW calculations accurately reproduce changes in electron densities within nuclei in typical molecules, when PAW datasets constructed with finite nuclei are used. Nuclear volume contributions to vapor–crystal isotope fractionation are calculated for elemental cadmium and mercury, showing good agreement with experiments. The nuclear-volume component of mercury and cadmium isotope fractionations between atomic vapor and montroydite (HgO), cinnabar (HgS), calomel (Hg2Cl2), monteponite (CdO), and the CdS polymorphs hawleyite and greenockite are calculated, indicating preferential incorporation of neutron-rich isotopes in more oxidized, ionically bonded phases. Finally, field shift energies are related to Mössbauer isomer shifts, and equilibrium mass-independent fractionations for several tin-bearing crystals are calculated from 119Sn spectra. Isomer shift data should simplify calculations of mass-independent isotope fractionations in other elements with Mössbauer isotopes, such as platinum and uranium

  12. Modeling nuclear volume isotope effects in crystals

    NASA Astrophysics Data System (ADS)

    Schauble, Edwin A.

    2013-10-01

    Mass-independent isotope fractionations driven by differences in volumes and shapes of nuclei (the field shift effect) are known in several elements and are likely to be found in more. All-electron relativistic electronic structure calculations can predict this effect but at present are computationally intensive and limited to modeling small gas phase molecules and clusters. Density functional theory, using the projector augmented wave method (DFT-PAW), has advantages in greater speed and compatibility with a three-dimensional periodic boundary condition while preserving information about the effects of chemistry on electron densities within nuclei. These electron density variations determine the volume component of the field shift effect. In this study, DFT-PAW calculations are calibrated against all-electron, relativistic Dirac-Hartree-Fock, and coupled-cluster with single, double (triple) excitation methods for estimating nuclear volume isotope effects. DFT-PAW calculations accurately reproduce changes in electron densities within nuclei in typical molecules, when PAW datasets constructed with finite nuclei are used. Nuclear volume contributions to vapor-crystal isotope fractionation are calculated for elemental cadmium and mercury, showing good agreement with experiments. The nuclear-volume component of mercury and cadmium isotope fractionations between atomic vapor and montroydite (HgO), cinnabar (HgS), calomel (Hg2Cl2), monteponite (CdO), and the CdS polymorphs hawleyite and greenockite are calculated, indicating preferential incorporation of neutron-rich isotopes in more oxidized, ionically bonded phases. Finally, field shift energies are related to Mössbauer isomer shifts, and equilibrium mass-independent fractionations for several tin-bearing crystals are calculated from 119Sn spectra. Isomer shift data should simplify calculations of mass-independent isotope fractionations in other elements with Mössbauer isotopes, such as platinum and uranium.

  13. 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.

  14. Field Stability of Piezoelectric Shear Properties in PIN-PMN-PT Crystals Under Large Drive Field

    PubMed Central

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

    2013-01-01

    The coercive fields (EC) of Pb(In0.5Nb0.5)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 (PIN-PMN-PT) ternary single crystals were found to be 5 kV/cm, double the value of binary Pb(Mg1/3Nb2/3)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 (Eint), 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 shear-mode 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 Eint, induced by the acceptor-oxygen vacancy defect dipoles. PMID:21342812

  15. Mechanic and electromechanic effects in biaxially stretched liquid crystal elastomers

    NASA Astrophysics Data System (ADS)

    Diaz-Calleja, Ricardo; Llovera-Segovia, Pedro; Riande, Evaristo; Quijano López, Alfredo

    2013-02-01

    The effect of combined electromechanic force fields in nematic side chain liquid crystal elastomers will be analyzed. A biaxially stretched plate in the x- and y-directions under an electric field applied in the perpendicular direction to the plate will be considered. A neo-Hookean model is chosen, which implies Gaussian behaviour. Results are obtained for both a soft and semisoft case showing the effect of the electric field on the rotation of the director and the free energy density function.

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

    SciTech Connect

    Sylgacheva, D. A. Khokhlov, N. E.; Kalish, A. N.; Belotelov, V. I.

    2016-11-15

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

  17. 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

  18. Far-field coupling in nanobeam photonic crystal cavities

    SciTech Connect

    Rousseau, Ian Sánchez-Arribas, Irene; Carlin, Jean-François; Butté, Raphaël; Grandjean, Nicolas

    2016-05-16

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

  19. Far-field coupling in nanobeam photonic crystal cavities

    NASA Astrophysics Data System (ADS)

    Rousseau, Ian; Sánchez-Arribas, Irene; Carlin, Jean-François; Butté, Raphaël; Grandjean, Nicolas

    2016-05-01

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

  20. Horizontal well taps bypassed Dundee oil in Crystal field, Mich.

    SciTech Connect

    Wood, J.R.; Allan, J.R.; Huntoon, J.E.; Pennington, W.D.; Harrison, W.B. III; Taylor, E.; Tester, C.J.

    1996-10-21

    The Dundee formation (Middle Devonian) has yielded more oil than any other producing interval in Michigan. The Dundee trend, which forms an east-west band across the central Michigan basin, consists of 137 fields which together have yielded more than 350 million bbl of oil. The first commercial Dundee production was established at Mt. Pleasant field in 1928, and most Dundee fields were discovered and brought on production during the 1930s--40s. Wells in many of the fields had very high initial production (IP) rates. IPs in excess of 1,000 b/d of oil were common, with values as high as 9,000 b/d reported. These high flow rates, combined with a thin (10--30 ft) oil column and a strong water drive, resulted in water coning that left significant volumes of oil unrecovered in some fields. One such field, Crystal field in Montcalm County, is the focus of a US Department of energy (DOE) Class 2 Reservoir Demonstration Project designed to demonstrate that horizontal drilling can recover significant volumes of this bypassed oil. The paper describes the demonstration project, regional setting, and the history of the Crystal field.

  1. 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.

  2. Extraction of crystal-field parameters for lanthanide ions from quantum-chemical calculations.

    PubMed

    Hu, Liusen; Reid, Michael F; Duan, Chang-Kui; Xia, Shangda; Yin, Min

    2011-02-02

    A simple method for constructing effective Hamiltonians for the 4f(N) and 4f(N - 1)5d energy levels of lanthanide ions in crystals from quantum-chemical calculations is presented. The method is demonstrated by deriving crystal-field and spin-orbit parameters for Ce(3 + ) ions doped in LiYF(4), Cs(2)NaYCl(6), CaF(2), KY(3)F(10) and YAG host crystals from quantum-chemical calculations based on the DV-Xα method. Good agreement between calculated and fitted values of the crystal-field parameters is obtained. The method can be used to calculate parameters even for low-symmetry sites where there are more parameters than energy levels.

  3. Extraction of crystal-field parameters for lanthanide ions from quantum-chemical calculations

    NASA Astrophysics Data System (ADS)

    Hu, Liusen; Reid, Michael F.; Duan, Chang-Kui; Xia, Shangda; Yin, Min

    2011-02-01

    A simple method for constructing effective Hamiltonians for the 4fN and 4fN - 15d energy levels of lanthanide ions in crystals from quantum-chemical calculations is presented. The method is demonstrated by deriving crystal-field and spin-orbit parameters for Ce3 + ions doped in LiYF4, Cs2NaYCl6, CaF2, KY3F10 and YAG host crystals from quantum-chemical calculations based on the DV-Xα method. Good agreement between calculated and fitted values of the crystal-field parameters is obtained. The method can be used to calculate parameters even for low-symmetry sites where there are more parameters than energy levels.

  4. 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.

  5. Change in crystal structure and physical properties of the Multiferroics YMnO3 single crystals by Strong gravitational field

    NASA Astrophysics Data System (ADS)

    Tokuda, M.; Weijian, M.; Hayami, S.; Yoshiasa, A.; Mashimo, T.

    2017-04-01

    Many researchers have studied the multiferroicity of the hexagonal RMnO3 (R: rare-earth element) for both applications and fundamental studies. To investigate the relationship between the structure and physical properties of materials, some people apply the chemical pressure effect. The procedure of chemical pressure effect involves substituting rare-earth elements for ones which have a different ionic radius. Mashimo et al. have developed a high-temperature ultracentrifuge apparatus that can generate extended duration strong gravitational field in excess of 106 G under a wide range of temperatures (up to 500°C). Strong gravitational fields directly act on each atom as a different body force. This can cause the change in crystal structure. Thus, we subjected YMnO3 single crystal to strong gravity experiments (0.78×106 G, 400°C, 2 h) and investigated the resulting changes in the crystal structure and physical properties of the gravity sample. The single crystal four-circle X-ray diffraction measurements revealed the change in the nearest neighboring Mn-Mn and M-O bond distances. The temperature dependence of magnetic susceptibility by SQUID showed the change in the magnetic anisotropy of gravity sample.

  6. Effects of trace elements on the crystal field parameters of Nd ions at the surface of Nd{sub 2}Fe{sub 14}B grains

    SciTech Connect

    Toga, Yuta; Suzuki, Tsuneaki; Sakuma, Akimasa

    2015-06-14

    Using first-principles calculations, we investigate the positional dependence of trace elements such as O and Cu on the crystal field parameter A{sub 2}{sup 0}, proportional to the magnetic anisotropy constant K{sub u} of Nd ions placed at the surface of Nd{sub 2}Fe{sub 14}B grains. The results suggest the possibility that the A{sub 2}{sup 0} parameter of Nd ions at the (001) surface of Nd{sub 2}Fe{sub 14}B grains exhibits a negative value when the O or Cu atom is located near the surface, closer than its equilibrium position. At the (110) surface, however, O atoms located at the equilibrium position provide a negative A{sub 2}{sup 0}, while for Cu additions A{sub 2}{sup 0} remains positive regardless of Cu's position. Thus, Cu atoms are expected to maintain a positive local K{sub u} of surface Nd ions more frequently than O atoms when they approach the grain surfaces in the Nd-Fe-B grains.

  7. 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).

  8. Couette-Taylor crystallizer: Effective control of crystal size distribution and recovery of L-lysine in cooling crystallization

    NASA Astrophysics Data System (ADS)

    Nguyen, Anh-Tuan; Yu, Taekyung; Kim, Woo-Sik

    2017-07-01

    A Couette-Taylor crystallizer is developed to enhance the L-Lysine crystal size distribution and recovery in the case of continuous cooling crystallization. When using the proposed Couette-Taylor (CT) crystallizer, the size distribution and crystal product recovery were much narrower and higher, respectively, than those from a conventional stirred tank (ST) crystallizer. Here, the coefficient of the size distribution for the crystal product from the CT crystallizer was only 0.45, while it was 0.78 in the case of the conventional ST crystallizer at an agitation speed of 700 rpm, mean residence time of 20 min, and feed concentration of 900 (g/L). Furthermore, when using the CT crystallizer, the crystal product recovery was remarkably enhanced up to 100%wt with a mean residence time of only 20 min, while it required a mean residence time of at least 60 min when using the conventional ST crystallizer. This result indicates that the CT crystallizer was much more effective than the conventional ST crystallizer in terms of controlling a narrower size distribution and achieving a 100%wt L-lysine crystal product recovery from continuous cooling crystallization. The advantage of the CT crystallizer over the conventional ST crystallizer was explained based on the higher energy dissipation of the Taylor vortex flow and larger surface area for heat transfer of the CT crystallizer. Here, the energy dissipation of the Taylor vortex flow in the CT crystallizer was 13.6 times higher than that of the random fluid motion in the conventional ST crystallizer, while the surface area per unit volume for heat transfer of the CT crystallizer was 8.0 times higher than that of the conventional ST crystallizer. As a result, the mixing condition and heat transfer of the CT crystallizer were much more effective than those of the conventional ST crystallizer for the cooling crystallization of L-lysine, thereby enhancing the L-lysine crystal size distribution and product recovery.

  9. Scale effects in crystal plasticity

    NASA Astrophysics Data System (ADS)

    Padubidri Janardhanachar, Guruprasad

    The goal of this research work is to further the understanding of crystal plasticity, particularly at reduced structural and material length scales. Fundamental understanding of plasticity is central to various challenges facing design and manufacturing of materials for structural and electronic device applications. The development of microstructurally tailored advanced metallic materials with enhanced mechanical properties that can withstand extremes in stress, strain, and temperature, will aid in increasing the efficiency of power generating systems by allowing them to work at higher temperatures and pressures. High specific strength materials can lead to low fuel consumption in transport vehicles. Experiments have shown that enhanced mechanical properties can be obtained in materials by constraining their size, microstructure (e.g. grain size), or both for various applications. For the successful design of these materials, it is necessary to have a thorough understanding of the influence of different length scales and evolving microstructure on the overall behavior. In this study, distinction is made between the effect of structural and material length scale on the mechanical behavior of materials. A length scale associated with an underlying physical mechanism influencing the mechanical behavior can overlap with either structural length scales or material length scales. If it overlaps with structural length scales, then the material is said to be dimensionally constrained. On the other hand, if it overlaps with material length scales, for example grain size, then the material is said to be microstructurally constrained. The objectives of this research work are: (1) to investigate scale and size effects due to dimensional constraints; (2) to investigate size effects due to microstructural constraints; and (3) to develop a size dependent hardening model through coarse graining of dislocation dynamics. A discrete dislocation dynamics (DDD) framework where the

  10. 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.

  11. 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.

  12. Field emission properties of single crystal chromium disilicide nanowires

    SciTech Connect

    Valentin, L. A.; Carpena-Nunez, J.; Yang, D.; Fonseca, L. F.

    2013-01-07

    The composition, crystal structure, and field emission properties of high-crystallinity chromium disilicide (CrSi{sub 2}) nanowires synthesized by a vapor deposition method have been studied. High resolution transmission electron microscopy, energy dispersive spectroscopy, and selected area electron diffraction studies confirm the single-crystalline structure and composition of the CrSi{sub 2} nanowires. Field emission measurements show that an emission current density of 0.1 {mu}A/cm{sup 2} was obtained at a turn-on electric field intensity of 2.80 V/{mu}m. The maximum emission current measured was 1.86 mA/cm{sup 2} at 3.6 V/{mu}m. The relation between the emission current density and the electric field obtained follows the Fowler-Nordheim equation, with an enhancement coefficient of 1140. The electrical conductivity of single nanowires was measured by using four-point-probe specialized microdevices at different temperatures, and the calculated values are close to those reported in previous studies for highly conductive single crystal bulk CrSi{sub 2}. The thermal tolerance of the nanowires was studied up to a temperature of 1100 Degree-Sign C. The stability of the field emission current, the I-E values, their thermal tolerance, and high electrical conductivity make CrSi{sub 2} nanowires a promising material for field emission applications.

  13. 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.

  14. 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.

  15. Influence of lower frequency electromagnetic field on dendritic crystal growth in special alloys

    NASA Astrophysics Data System (ADS)

    Xu, Yu; Wang, Tao; Wang, Fei; Wang, Engang

    2017-06-01

    Based on a new developed chemical etching method to special alloys (e.g. Incoloy800H superalloy, GCr15 bearing steel and 1Cr13 stainless steel), the morphology of dendritic crystal growth and its transition to equiaxed crystal in the solidification structure with lower frequency electromagnetic fields were observed and investigated to understand the action mechanism of electromagnetic fields on the solidification of the special alloys. By applying a rotating electromagnetic field (REMF) in the casting of special alloys, the growth condition of dendritic crystals, such as the temperature gradient and concentration of elements in the front of dendritic crystals, have been changed by the forced convection of melt and bring the columnar dendrites to equiaxed dendrites. These phenomena are proved in the morphology observation of the Incoloy800H superalloy, GCr15 steel and 1Cr13 steel by the new developed chemical etching method, and the tips of dendritic crystals are changed from sharp to round. Meanwhile, with the application of REMF, the growing dendrites are broken in the front of dendritic crystals by the forced melt flow. Some of the dendrite fragments are partially remelted to become effective nuclei, and some of them are survived during the solidification process. Finally, a criterion for the dendrite fragmentation under REMF is derived based on the dendrite fragmentation theory of Campanella et al.

  16. Influence of computational domain size on the pattern formation of the phase field crystals

    NASA Astrophysics Data System (ADS)

    Starodumov, Ilya; Galenko, Peter; Alexandrov, Dmitri; Kropotin, Nikolai

    2017-04-01

    Modeling of crystallization process by the phase field crystal method (PFC) represents one of the important directions of modern computational materials science. This method makes it possible to research the formation of stable or metastable crystal structures. In this paper, we study the effect of computational domain size on the crystal pattern formation obtained as a result of computer simulation by the PFC method. In the current report, we show that if the size of a computational domain is changed, the result of modeling may be a structure in metastable phase instead of pure stable state. The authors present a possible theoretical justification for the observed effect and provide explanations on the possible modification of the PFC method to account for this phenomenon.

  17. 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.

  18. 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.

  19. Effect of Stirring Method on Protein Crystallization

    NASA Astrophysics Data System (ADS)

    Yaoi, Mari; Adachi, Hiroaki; Takano, Kazufumi; Matsumura, Hiroyoshi; Inoue, Tsuyoshi; Mori, Yusuke; Sasaki, Takatomo

    2004-10-01

    We previously proposed the use of solution stirring during the growth of protein crystals using the Micro-Stirring technique with a rotary shaker. In this paper, we report on the effects of a new type solution flow on the crystallization of hen egg-white lysozyme (HEWL) using a wave shaker. The time required for nucleation was reduced by wave stirring, but increased by rotary stirring. Nucleation was stimulated by wave stirring. This result indicates that protein crystal growth in a stirred solution is strongly dependent on the stirring method used and the solution flow. Therefore, optimized stirring conditions are essential for producing high-quality protein crystals.

  20. Effects of Gravity on ZBLAN Glass Crystallization.

    PubMed

    Tucker, Dennis S; Ethridge, Edwin C; Smith, Guy A; Workman, Gary

    2004-11-01

    The effects of gravity on the crystallization of ZrF(4)-BaF(2)-LaF(3)-AlF(3)-NaF glasses have been studied using the NASA KC-135 and a sounding rocket. Fibers and cylinders of ZBLAN glass were heated to the crystallization temperature in unit and reduced gravity. When processed in unit gravity the glass crystallized, but when processed in reduced gravity, crystallization was suppressed. A possible explanation involving shear thinning is presented to explain these results.

  1. Effects of Gravity on ZBLAN Glass Crystallization

    NASA Technical Reports Server (NTRS)

    Tucker, Dennis S.; Ethridge, Edwin C.; Smith, Guy A.; Workman, Gary

    2004-01-01

    The effects of gravity on the crystallization of ZrF(4)-BaF(2)-LaF(3)-AIF(3)-NaF glasses have been studied using the NASA KC-135 and a sounding rocket. Fibers and cylinders of ZBLAN glass were heated to the crystallization temperature in unit and reduced gravity. When processed in unit gravity the glass crystallized, but when processed in reduced gravity, crystallization was suppressed. A possible explanation involving shear thinning is presented to explain these results.

  2. Effects of Gravity on ZBLAN Glass Crystallization

    NASA Technical Reports Server (NTRS)

    Tucker, Dennis S.; Ethridge, Edwin C.; Smith, G. A.; Workman, G.

    2003-01-01

    The effects of gravity on the crystallization of ZrF4-BaF2-LaF3-AlF3- NaF glasses have been studied utilizing NASA's KC135 and a sounding rocket, Fibers and cylinders of ZBLAN glass were heated to the crystallization temperature in unit and reduced gravity. When processed in unit gravity the glass crystallized, but when processed in reduced gravity, crystallization was suppressed. A possible explanation involving shear thinning is presented to explain these results.

  3. Nonlinear photovoltaic effect in Sillenite photorefractive crystals

    NASA Astrophysics Data System (ADS)

    de Oliveira, Ivan; Capovilla, Danilo Augusto; Moura, André L.; Timóteo, Varese S.; Carvalho, Jesiel F.; Frejlich, Jaime

    2017-04-01

    We report on the presence of photovoltaic effect in some Sillenite photorefractive crystals and compare their behavior with that of the well known photovoltaic LiNbO3:Fe crystal. Nonlinear photovoltaic behavior of these Sillenites are also reported here for the first time and explained by the presence of shallow along with deep photovoltaic centers.

  4. 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.

  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. 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.

  7. Anisotropic local modification of crystal field levels in Pr-based pyrochlores: a muon-induced effect modeled using density functional theory.

    PubMed

    Foronda, F R; Lang, F; Möller, J S; Lancaster, T; Boothroyd, A T; Pratt, F L; Giblin, S R; Prabhakaran, D; Blundell, S J

    2015-01-09

    Although muon spin relaxation is commonly used to probe local magnetic order, spin freezing, and spin dynamics, we identify an experimental situation in which the measured response is dominated by an effect resulting from the muon-induced local distortion rather than the intrinsic behavior of the host compound. We demonstrate this effect in some quantum spin ice candidate materials Pr(2)B(2)O(7) (B=Sn, Zr, Hf), where we detect a static distribution of magnetic moments that appears to grow on cooling. Using density functional theory we show how this effect can be explained via a hyperfine enhancement arising from a splitting of the non-Kramers doublet ground states on Pr ions close to the muon, which itself causes a highly anisotropic distortion field. We provide a quantitative relationship between this effect and the measured temperature dependence of the muon relaxation and discuss the relevance of these observations to muon experiments in other magnetic materials.

  8. Multiband Effects on -FeSe single crystals

    SciTech Connect

    Petrovic C.; Lei, H.; Graf, D.; Hu, R.; Ryu, H.; Choi, E.S.; Tozer, S.W.

    2012-03-01

    We present the upper critical fields {mu}{sub 0}H{sub c2}(T) and Hall effect in {beta}-FeSe single crystals. The {mu}{sub 0}H{sub c2}(T) increases as the temperature is lowered for fields applied parallel and perpendicular to (101), the natural growth facet of the crystal. The {mu}{sub 0}H{sub c2}(T) for both field directions and the anisotropy at low temperature increase under pressure. Hole carriers are dominant at high magnetic fields. However, the contribution of electron-type carriers is significant at low fields and low temperature. Our results show that multiband effects dominate {mu}{sub 0}H{sub c2}(T) and electronic transport in the normal state.

  9. 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%.

  10. 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

  11. Recent Advances in the Understanding of the Influence of Electric and Magnetic Fields on Protein Crystal Growth

    DOE PAGES

    Pareja-Rivera, Carina; Cuéllar-Cruz, Mayra; Esturau-Escofet, Nuria; ...

    2016-12-05

    Here, in this contribution we use nonconventional methods that help to increase the success rate of a protein crystal growth, and consequently of structural projects using X-ray diffraction techniques. In order to achieve this purpose, this contribution presents new approaches involving more sophisticated techniques of protein crystallization, not just for growing protein crystals of different sizes by using electric fields, but also for controlling crystal size and orientation. Also, this latter was possible through the use of magnetic fields that allow to obtain protein crystals suitable for both high-resolution X-ray and neutron diffraction crystallography where big crystals are required. Thismore » contribution discusses some pros, cons and realities of the role of electromagnetic fields in protein crystallization research, and their effect on protein crystal contacts. Additionally, we discuss the importance of room and low temperatures during data collection. Finally, we also discuss the effect of applying a rather strong magnetic field of 16.5 T, for shorts and long periods of time, on protein crystal growth, and on the 3D structure of two model proteins.« less

  12. Recent Advances in the Understanding of the Influence of Electric and Magnetic Fields on Protein Crystal Growth

    SciTech Connect

    Pareja-Rivera, Carina; Cuéllar-Cruz, Mayra; Esturau-Escofet, Nuria; Demitri, Nicola; Polentarutti, Maurizio; Stojanoff, Vivian; Moreno, Abel

    2016-12-05

    Here, in this contribution we use nonconventional methods that help to increase the success rate of a protein crystal growth, and consequently of structural projects using X-ray diffraction techniques. In order to achieve this purpose, this contribution presents new approaches involving more sophisticated techniques of protein crystallization, not just for growing protein crystals of different sizes by using electric fields, but also for controlling crystal size and orientation. Also, this latter was possible through the use of magnetic fields that allow to obtain protein crystals suitable for both high-resolution X-ray and neutron diffraction crystallography where big crystals are required. This contribution discusses some pros, cons and realities of the role of electromagnetic fields in protein crystallization research, and their effect on protein crystal contacts. Additionally, we discuss the importance of room and low temperatures during data collection. Finally, we also discuss the effect of applying a rather strong magnetic field of 16.5 T, for shorts and long periods of time, on protein crystal growth, and on the 3D structure of two model proteins.

  13. 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.

  14. 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.

  15. 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

  16. 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.

  17. Transverse magnetic field impact on waveguide modes of photonic crystals.

    PubMed

    Sylgacheva, Daria; Khokhlov, Nikolai; Kalish, Andrey; Dagesyan, Sarkis; Prokopov, Anatoly; Shaposhnikov, Alexandr; Berzhansky, Vladimir; Nur-E-Alam, Mohammad; Vasiliev, Mikhail; Alameh, Kamal; Belotelov, Vladimir

    2016-08-15

    This Letter presents a theoretical and experimental study of waveguide modes of one-dimensional magneto-photonic crystals magnetized in the in-plane direction. It is shown that the propagation constants of the TM waveguide modes are sensitive to the transverse magnetization and the spectrum of the transverse magneto-optical Kerr effect has resonant features at mode excitation frequencies. Two types of structures are considered: a non-magnetic photonic crystal with an additional magnetic layer on top and a magneto-photonic crystal with a magnetic layer within each period. We found that the magneto-optical non-reciprocity effect is greater in the first case: it has a magnitude of δ∼10-4, while the second structure type demonstrates δ∼10-5 only, due to the higher asymmetry of the claddings of the magnetic layer. Experimental observations show resonant features in the optical and magneto-optical Kerr effect spectra. The measured dispersion properties are in good agreement with the theoretical predictions. An amplitude of light intensity modulation of up to 2.5% was observed for waveguide mode excitation within the magnetic top layer of the non-magnetic photonic crystal structure. The presented theoretical approach may be utilized for the design of magneto-optical sensors and modulators requiring pre-determined spectral features.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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

    positioning the crystal growth cell so that the magnetic susceptibility force counteracts terrestrial gravity. The general objective is to test the hypothesis of convective control using a strong magnetic field and magnetic field gradient and to understand the nature of the various forces that come into play. Specifically we aim to delineate causative factors and to quantify them through experiments, analysis and numerical modeling. Once the basic understanding is obtained, the study will focus on testing the hypothesis on proteins of pyruvate dehydrogenase complex (PDC), proteins E1 and E3. Obtaining high crystal quality of these proteins is of great importance to structural biologists since their structures need to be determined. Specific goals for the investigation are: 1. To develop an understanding of convection control in diamagnetic fluids with concentration gradients through experimentation and numerical modeling. Specifically solutal buoyancy driven convection due to crystal growth will be considered. 2. To develop predictive measures for successful crystallization in a magnetic field using analyses and numerical modeling for use in future protein crystal growth experiments. This will establish criteria that can be used to estimate the efficacy of magnetic field flow damping on crystallization of candidate proteins. 3. To demonstrate the understanding of convection damping by high magnetic fields to a class of proteins that is of interest and whose structure is as yet not determined. 4. To compare quantitatively, the quality of the grown crystals with and without a magnetic field. X-ray diffraction techniques will be used for the comparative studies. In a preliminary set of experiments, we studied crystal dissolution effects in a 5 Tesla magnet available at NASA Marshall Space Flight Center (MSFC). Using a Schlieren setup, a 1mm crystal of Alum (Aluminum-Potassium Sulfate) was introduced in a 75% saturated solution and the resulting dissolution plume was observed

  3. 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

    positioning the crystal growth cell so that the magnetic susceptibility force counteracts terrestrial gravity. The general objective is to test the hypothesis of convective control using a strong magnetic field and magnetic field gradient and to understand the nature of the various forces that come into play. Specifically we aim to delineate causative factors and to quantify them through experiments, analysis and numerical modeling. Once the basic understanding is obtained, the study will focus on testing the hypothesis on proteins of pyruvate dehydrogenase complex (PDC), proteins E1 and E3. Obtaining high crystal quality of these proteins is of great importance to structural biologists since their structures need to be determined. Specific goals for the investigation are: 1. To develop an understanding of convection control in diamagnetic fluids with concentration gradients through experimentation and numerical modeling. Specifically solutal buoyancy driven convection due to crystal growth will be considered. 2. To develop predictive measures for successful crystallization in a magnetic field using analyses and numerical modeling for use in future protein crystal growth experiments. This will establish criteria that can be used to estimate the efficacy of magnetic field flow damping on crystallization of candidate proteins. 3. To demonstrate the understanding of convection damping by high magnetic fields to a class of proteins that is of interest and whose structure is as yet not determined. 4. To compare quantitatively, the quality of the grown crystals with and without a magnetic field. X-ray diffraction techniques will be used for the comparative studies. In a preliminary set of experiments, we studied crystal dissolution effects in a 5 Tesla magnet available at NASA Marshall Space Flight Center (MSFC). Using a Schlieren setup, a 1mm crystal of Alum (Aluminum-Potassium Sulfate) was introduced in a 75% saturated solution and the resulting dissolution plume was observed

  4. Photorefractive effect in ferroelectric liquid crystals

    NASA Astrophysics Data System (ADS)

    Sasaki, Takeo; Naka, Yumiko

    2014-03-01

    In this paper, we review recent progress of research on the photorefractive effect of ferroelectric liquid crystals. The photorefractive effect is a phenomenon that forms a dynamic hologram in a material. The interference of two laser beams in a photorefractive material establishes a refractive index grating. This phenomenon is applicable to a wide range of devices related to diffraction optics including 3D displays, optical amplification, optical tomography, novelty filters, and phase conjugate wave generators. Ferroelectric liquid crystals are considered as a candidate for practical photorefractive materials. A refractive index grating formation time of 8-10 ms and a large gain coefficient are easily obtained in photorefractive ferroelectric liquid crystals.

  5. Second-harmonic superprism effect in photonic crystals.

    PubMed

    Centeno, Emmanuel

    2005-05-01

    By exploitation of the nonlinear optical properties of two-dimensional photonic crystals, a second-harmonic superprism effect is demonstrated. The anisotropy of the dispersion curves allows control of the propagation direction of the second-harmonic field. Smooth variations of the fundamental wavelength or the angle of incidence produce a drastic angular shift of the second-harmonic emission.

  6. Crystal field splitting and symmetry of Ce3 polyhedra in oxide crystals

    NASA Astrophysics Data System (ADS)

    Kodama, N.; Yamaga, M.; Kurahashi, T.

    Single crystals of Ce3+-doped oxides Ca2Al2SiO7 (CASM), CaYAl3O7 (CYAM) and CaYAlO4 (CYAP) have been grown in inert and reducing atmospheres, with intent of studying the effects of symmetry and ligand cordination on the dopant energy levels. The optical absorption spectra of Ce3+ in these crystals at most consist of five overlapping bands. The luminescence is also a broad band due to strong electron-phonon interaction in the 5d excited state. The luminescence bands for CASM, CYAM and CYAP are intermediate between GdAlO3 (GAP) and Y3Al5O12 (YAG). The energies of the lowest absorption band and the luminescence band decrease in order of GAP, CASM, CYAM, CYAP, and YAG. This trend may be explained by lowering symmetry and reducing size of the anion-coordinate polyhedra of Ce3+ in these crystals.

  7. 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.

  8. Effect of Interaction of the Temperature Field and Supersaturation on the Morphology of the Solid-Vapor Interface in Crystal Growth by Physical Vapor Transport

    NASA Technical Reports Server (NTRS)

    Grasza, K.; Palosz, W.; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    An in-situ study of the morphology of the solid-vapor interface during iodine crystal growth was done. The conditions for terrace growth, flat faces formation and retraction, competition between sources of steps, formation of protrusions, surface roughening, and defect overgrowth are demonstrated and discussed.

  9. 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.

  10. 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.

  11. 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.

  12. Convection effects in protein crystal growth

    NASA Technical Reports Server (NTRS)

    Roberts, Glyn O.

    1988-01-01

    Protein crystals for X-ray diffraction study are usually grown resting on the bottom of a hanging drop of a saturated protein solution, with slow evaporation to the air in a small enclosed cell. The evaporation rate is controlled by hanging the drop above a reservoir of water, with its saturation vapor pressure decreased by a low concentration of a passive solute. The drop has a lower solute concentration, and its volume shrinks by evaporation until the molecular concentrations match. Protein crystals can also be grown from a seed crystal suspended or supported in the interior of a supersaturated solution. The main analysis of this report concerns this case because it is less complicated than hanging-drop growth. Convection effects have been suggested as the reason for the apparent cessation of growth at a certain rather small crystal size. It seeems that as the crystal grows, the number of dislocations increases to a point where further growth is hindered. Growth in the microgravity environment of an orbiting space vehicle has been proposed as a method for obtaining larger crystals. Experimental observations of convection effects during the growth of protein crystals have been reported.

  13. Unusual Kondo-hole effect and crystal-field frustration in Nd-doped CeRhIn5

    SciTech Connect

    Rosa, Priscila Ferrari Silveira; Oostra, Aaron; Thompson, Joe David; Pagliuso, Pascoal G.; Fisk, Zachary

    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 T$Ce\\atop{N}$=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.

  14. Unusual Kondo-hole effect and crystal-field frustration in Nd-doped CeRhIn5

    SciTech Connect

    Rosa, Priscila Ferrari Silveira; Oostra, Aaron; Thompson, Joe David; Pagliuso, Pascoal G.; Fisk, Zachary

    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 T$Ce\\atop{N}$=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.

  15. Moderately anisotropic field-effect mobility in dinaphtho[2,3-b:2',3'-f]thiopheno[3,2-b]thiophenes single-crystal transistors

    NASA Astrophysics Data System (ADS)

    Uno, Mayumi; Tominari, Y.; Yamagishi, M.; Doi, I.; Miyazaki, E.; Takimiya, K.; Takeya, J.

    2009-06-01

    Anisotropy of carrier mobility is measured for dinaphtho[2,3-b:2',3'-f]thiopheno[3,2-b]thiophenes single-crystal transistors. We have developed a method of "local gating" to restrict carrier-accumulated channels elongated radially within the herringbone planes of submillimeter crystals so that mixture of conductivity off the intended directions is minimized in the measurement. The highest mobility 4 cm2/V s is achieved for the a-axis direction due to the highest orbital overlaps, while the lowest mobility measured in the perpendicular direction is still as high as 2.5 cm2/V s. The moderate anisotropy favors high performance in polycrystalline thin-film transistors of the compound, where charge transport is inevitably mixed for all directions.

  16. 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.

  17. 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.

  18. Taylor vortex effect on flocculation of hairy crystals of calcium lactate in anti-solvent crystallization

    NASA Astrophysics Data System (ADS)

    Lee, Sooyun; Lee, Choul-Ho; Kim, Woo-Sik

    2013-06-01

    A Taylor vortex flow was applied to inhibit the crystal flocculation of calcium lactate in anti-solvent crystallization. When using a conventional MSMPR crystallizer, hairy crystals of calcium lactate were formed and flocculated in the crystallizer. The whole suspension in the crystallizer then gelated and the solution trapped in the flocculated crystals was hardly removable from the gelated suspension. Thus, no purification of calcium lactate was achievable when using anti-solvent crystallization in the MSMPR crystallizer, regardless of a batch or continuous operating mode. In contrast, when using a Couette-Taylor (CT) crystallizer, short needle crystals (about 40 μm) were produced and their flocculation/entanglement was completely prevented. Due to the effective mixing of the Taylor vortex, a high supersaturation was induced in the inlet region of the CT crystallizer, thereby nucleating a high number of needle crystals. This then restricted any one-dimensional overgrowth of crystals, preventing the formation of hairy crystals. According to this mechanism, the mean crystal size was reduced when increasing the rotation speed of the CT crystallizer, the feed concentration, and flow rate. Moreover, the recovery ratio of calcium lactate crystals in the CT crystallizer was always greater than 83% and depended most significantly on the feed flow rate.

  19. Heating behavior and crystal growth mechanism in microwave field.

    PubMed

    Yang, Gang; Kong, Yan; Hou, Wenhua; Yan, Qijie

    2005-02-03

    A simple microwave solid-state reactor was designed on the basis of a domestic microwave oven by using graphite powder as heating medium. The heating behavior of the reactor was studied by using an on-line computer to monitor the real-time temperature during irradiation. It was found that the temperature (T) was related to the time (t) and that microwave power depended on the duty cycle (x) of microwave irradiation. Two empirical equations were proposed and could be applied to the similar microwave solid-state reactors. Four inorganic layered materials, LiV(3)O(8), KNb(3)O(8), KTiNbO(5), and KSr(2)Nb(3)O(10), were successfully synthesized in the designed reactor at a suitable heating rate and temperature that were fully controlled by the empirical equations. Characterization results of X-ray diffraction (XRD), Fourier transform infrared (FTIR) and Raman spectroscopy, and scanning (SEM) and transmission (TEM) electron microscopy indicated that the phases of samples prepared by traditional and microwave methods were in good agreement; nevertheless, the heating nature and the morphologies of products were quite different. The samples synthesized in the microwave field had crystallographic defects and showed an incompactly stacking structure of nanosheets. Due to the rapid formation of crystallites and different extended growth rate along the crystal axis of the products in microwave field, the crystal growth mechanism of layered metal oxides was not according to that of the traditional method and is briefly discussed.

  20. 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).

  1. Enhancement of nonlinear effects using photonic crystals.

    PubMed

    Soljacić, Marin; Joannopoulos, J D

    2004-04-01

    The quest for all-optical signal processing is generally deemed to be impractical because optical nonlinearities are usually weak. The emerging field of nonlinear photonic crystals seems destined to change this view dramatically. Theoretical considerations show that all-optical devices using photonic crystal designs promise to be smaller than the wavelength of light, and to operate with bandwidths that are very difficult to achieve electronically. When created in commonly used materials, these devices could operate at powers of only a few milliwatts. Moreover, if these designs are combined with materials and systems that support electromagnetically induced transparency, operation at single-photon power levels could be feasible.

  2. CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES: Effective Anisotropic Dielectric Properties of Crystal Composites

    NASA Astrophysics Data System (ADS)

    Wei, En-Bo; Gu, Guo-Qing; Poon, Ying-Ming; Franklin, G. Shin

    2010-02-01

    Transformation field method (TFM) is developed to estimate the anisotropic dielectric properties of crystal composites having arbitrary shapes and dielectric properties of crystal inclusions, whose principal dielectric axis are different from those of anisotropic crystal matrix. The complicated boundary-value problem caused by inclusion shapes is circumvented by introducing a transformation electric field into the crystal composites regions, and the effective anisotropic dielectric responses are formulated in terms of the transformation field. Furthermore, the numerical results show that the effective anisotropic dielectric responses of crystal composites periodically vary as a function of the rotating angle between the principal dielectric axes of inclusion and matrix crystal materials. It is found that at larger inclusion volume fraction the inclusion shapes induce profound effect on the effective anisotropic dielectric responses.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. Raman spectrum of plutonium dioxide: Vibrational and crystal field modes

    NASA Astrophysics Data System (ADS)

    Naji, M.; Magnani, N.; Bonales, L. J.; Mastromarino, S.; Colle, J.-Y.; Cobos, J.; Manara, D.

    2017-03-01

    The Raman spectrum of plutonium dioxide is studied both experimentally and theoretically. Particular attention has been devoted to the identification of high-energy modes at 2110 and 2620 c m-1 , whose attribution has so far been controversial. The temperature dependence of both modes suggests an electronic origin for them. Original crystal field (CF) calculations reported in this work show that these two modes can be respectively assigned to the Γ1→Γ5 and Γ1→Γ3 CF transitions within the I54 manifold. These two modes, together with the only vibrational line foreseen by the group theory for the F m -3 m Pu O2 symmetry—the T2 gPu -O stretching mode observed at 478 c m-1 —can thus be used as a Raman fingerprint of fcc plutonium dioxide.

  9. 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.

  10. 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.

  11. Reductive renormalization of the phase-field crystal equation.

    PubMed

    Oono, Y; Shiwa, Y

    2012-12-01

    It has been known for some time that singular perturbation and reductive perturbation can be unified from the renormalization-group theoretical point of view: Reductive extraction of space-time global behavior is the essence of singular perturbation methods. Reductive renormalization was proposed to make this unification practically accessible; actually, this reductive perturbation is far simpler than most reduction methods, such as the rather standard scaling expansion. However, a rather cryptic exposition of the method seems to have been the cause of some trouble. Here, an explicit demonstration of the consistency of the reductive renormalization-group procedure is given for partial differentiation equations (of a certain type, including time-evolution semigroup type equations). Then, the procedure is applied to the reduction of a phase-field crystal equation to illustrate the streamlined reduction method. We conjecture that if the original system is structurally stable, the reductive renormalization-group result and that of the original equation are diffeomorphic.

  12. 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.

  13. Effects of Ultrasonic Parameters on the Crystallization Behavior of Virgin Coconut Oil.

    PubMed

    Wu, Linhe; Cao, Jun; Bai, Xinpeng; Chen, Haiming; Zhang, Yuxiang; Wu, Qian

    2016-12-01

    Crystallization behavior of virgin coconut oil (VCO) in the absence and presence of ultrasonic treatment under a temperature gradient field was investigated. The effects of ultrasonic parameters on the crystallization behavior of VCO were studied by differential scanning calorimetry, ultraviolet/visible spectrophotometry and polarized light microscopy. The thermal effect of the ultrasonic treatment was also increased at higher power levels. Therefore, the optimal power level was determined at approximately 36 W. Induction time reduced evidently and the crystallization rate was accelerated under ultrasonic treatment at crystallization temperature (Tc) above 15°C. However, no significant difference in induction time was noted at 13°C. The result of morphological studies showed that the growth mechanism of crystals was significantly changed. Meanwhile, smaller and uniform crystals were produced by the ultrasonic treatment. This study shows a novel technique to accelerate the crystallization rate and alter the growth mechanism of VCO crystals.

  14. 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

  15. 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.

  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. 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

  18. 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.

  19. Cyano-substituted oligo(p-phenylene vinylene) single-crystal with balanced hole and electron injection and transport for ambipolar field-effect transistors.

    PubMed

    Deng, Jian; Tang, Jia; Xu, Yuanxiang; Liu, Liqun; Wang, Yan; Xie, Zengqi; Ma, Yuguang

    2015-02-07

    High and balanced hole and electron mobilities were achieved in OFETs based on the high photoluminescence of a 1,4-bis(2-cyano-2-phenylethenyl)benzene single-crystal with symmetric electrodes. For electron and hole, the operation voltage in the OFETs based on symmetric gold electrodes was 30 and -20 V, respectively. The accumulation threshold voltage is low enough for the OFETs to operate in an ambipolar model with the source/drain voltage (Vds) around 50 V despite the high injection barrier. The highest electron and hole mobility was 0.745 cm(2) V(-1) s(-1) and 0.239 cm(2) V(-1) s(-1), and the current density reached 90.7 and 27.4 A cm(-2), respectively with an assumed 10 nm accumulation layer. The high mobility comes from the strong π-π interactions. In addition, the highly ordered hydrogen bonding matrix may create an efficient route to pump the charge to the inner layer which can improve the injection ability.

  20. 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

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

    PubMed

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

    2016-11-16

    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.

  2. Light-induced effects in liquid crystals: recent developments

    NASA Astrophysics Data System (ADS)

    Simoni, F.; Lucchetti, L.

    2016-09-01

    In this paper we outline that light-induced effects in liquid crystals are still able to provide scientific and technological novelty in spite of a long time investigation started more than thirty years ago. Here we review some recent achievements related to new phenomena that have been studied in the past few years. In the first part of our report we discuss optical trapping of nematic colloids whose origin relies on the elastic properties of liquid crystals rather than on the field gradient that is on the basis of conventional optical tweezing. In the second part we present some recent results obtained in studying the self-phase modulation in bent core nematic liquid crystals, pointing out a peculiar two regimes behavior.

  3. Phase-field modeling on morphological landscape of isotactic polystyrene single crystals.

    PubMed

    Xu, Haijun; Matkar, Rushikesh; Kyu, Thein

    2005-07-01

    Spatio-temporal growth of isotactic polystyrene single crystals during isothermal crystallization has been investigated theoretically based on the phase field model by solving temporal evolution of a nonconserved phase order parameter coupled with a heat conduction equation. In the description of the total free energy, an asymmetric double-well local free energy density has been adopted to represent the metastable melt and the stable solid crystal. Unlike the small molecule systems, polymer crystallization rarely reaches thermodynamic equilibrium; most polymer crystals are kinetically stabilized in some metastable states. To capture various metastable polymer crystals, the phase field crystal order parameter at the solidification potential has been treated to be supercooling dependent such that it can assume an intermediate value between zero (melt) and unity (perfect crystal), reflecting imperfect polycrystalline nature of polymer crystals. Two-dimensional simulations exhibit various single crystal morphologies of isotactic polystyrene crystals such as faceted hexagonal patterns transforming to nonfaceted snowflakes with increasing supercooling. Of particular interest is that heat liberation from the crystallizing front influences the curvature of the crystal-melt interface, leading to directional growth of lamellar tips and side branches. The landscape of these morphological textures has been established as a function of anisotropy of surface energy and supercooling. With increasing supercooling and decreasing anisotropy, the hexagonal single crystal transforms to the dense lamellar branching morphology in conformity with the experimental findings.

  4. 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.

  5. Evaluation of the Linear and Second-Order NLO Properties of Molecular Crystals within the Local Field Theory: Electron Correlation Effects, Choice of XC Functional, ZPVA Contributions, and Impact of the Geometry in the Case of 2-Methyl-4-nitroaniline.

    PubMed

    Seidler, Tomasz; Stadnicka, Katarzyna; Champagne, Benoît

    2014-05-13

    The linear [χ((1))] and second-order nonlinear [χ((2))] optical susceptibilities of the 2-methyl-4-nitroaniline (MNA) crystal are calculated within the local field theory, which consists of first computing the molecular properties, accounting for the dressing effects of the surroundings, and then taking into account the local field effects. Several aspects of these calculations are tackled with the aim of monitoring the convergence of the χ((1)) and χ((2)) predictions with respect to experiment by accounting for the effects of (i) the dressing field within successive approximations, of (ii) the first-order ZPVA corrections, and of (iii) the geometry. With respect to the reference CCSD-based results, besides double hybrid functionals, the most reliable exchange-correlation functionals are LC-BLYP for the static χ((1)) and CAM-B3LYP (and M05-2X, to a lesser extent) for the dynamic χ((1)) but they strongly underestimate χ((2)). Double hybrids perform better for χ((2)) but not necessarily for χ((1)), and, moreover, their performances are much similar to MP2, which is known to slightly overestimate β, with respect to high-level coupled-clusters calculations and, therefore, χ((2)). Other XC functionals with less HF exchange perform poorly with overestimations/underestimations of χ((1))/χ((2)), whereas the HF method leads to underestimations of both. The first-order ZPVA corrections, estimated at the B3LYP level, are usually small but not negligible. Indeed, after ZPVA corrections, the molecular polarizabilities and first hyperpolarizabilities increase by 2% and 5%, respectively, whereas their impact is magnified on the macroscopic responses with enhancements of χ((1)) by up to 5% and of χ((2)) by as much as 10%-12% at λ = 1064 nm. The geometry plays also a key role in view of predicting accurate susceptibilities, particularly for push-pull π-conjugated compounds such as MNA. So, the geometry optimized using periodic boundary conditions is characterized

  6. 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.

  7. Description of hard-sphere crystals and crystal-fluid interfaces: a comparison between density functional approaches and a phase-field crystal model.

    PubMed

    Oettel, M; Dorosz, S; Berghoff, M; Nestler, B; Schilling, T

    2012-08-01

    In materials science the phase-field crystal approach has become popular to model crystallization processes. Phase-field crystal models are in essence Landau-Ginzburg-type models, which should be derivable from the underlying microscopic description of the system in question. We present a study on classical density functional theory in three stages of approximation leading to a specific phase-field crystal model, and we discuss the limits of applicability of the models that result from these approximations. As a test system we have chosen the three-dimensional suspension of monodisperse hard spheres. The levels of density functional theory that we discuss are fundamental measure theory, a second-order Taylor expansion thereof, and a minimal phase-field crystal model. We have computed coexistence densities, vacancy concentrations in the crystalline phase, interfacial tensions, and interfacial order parameter profiles, and we compare these quantities to simulation results. We also suggest a procedure to fit the free parameters of the phase-field crystal model. Thereby it turns out that the order parameter of the phase-field crystal model is more consistent with a smeared density field (shifted and rescaled) than with the shifted and rescaled density itself. In brief, we conclude that fundamental measure theory is very accurate and can serve as a benchmark for the other theories. Taylor expansion strongly affects free energies, surface tensions, and vacancy concentrations. Furthermore it is phenomenologically misleading to interpret the phase-field crystal model as stemming directly from Taylor-expanded density functional theory.

  8. Quantized Field Effects

    NASA Astrophysics Data System (ADS)

    Freyberger, Matthias; Vogel, Karl; Schleich, Wolfgang; O'Connell, Robert

    The electromagnetic field appears almost everywhere in physics. Following the introduction of Maxwell's equations in 1864, Max Planck initiated quantum theory when he discovered h = 2πℏ in the laws of black-body radiation. In 1905 Albert Einstein explained the photoelectric effect on the hypothesis of a corpuscular nature of radiation and in 1917 this paradigm led to a description of the interaction between atoms and electromagnetic radiation.

  9. 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.

  10. Electro-optical effects in anisotropic crystals: I. The Pockels effect

    NASA Astrophysics Data System (ADS)

    Novikov, M. A.; Stepanov, A. A.; Khyshov, A. A.

    2016-09-01

    The perturbation-theory method is proposed to calculate the induced anisotropy optical effects in crystals with different symmetries. On its basis, the influence of the Pockels effect on the light propagation in crystals with different symmetries is analyzed using Fedorov's approach of invariant vector fields. This approach has many advantages over known methods in calculating different versions of Pockels effect application for different purposes. Calculation schemes are presented that make it possible to select longitudinal and transverse versions of electro-optical sensors and modulators, which can be used, in particular, to design optical measuring transformers and electric field sensors in high-voltage power lines.

  11. Novel Polymer Ferroelectric Behavior via Crystal Isomorphism and Nanoconfinement Effect

    NASA Astrophysics Data System (ADS)

    Zhu, Lei

    2014-03-01

    Despite comprehensive understanding of novel ferroelectric [i.e., relaxor ferroelectric (RFE) and antiferroelectric (AFE)] behaviors for ceramics, RFE and double hysteresis loop (DHL) behaviors have just emerged for ferroelectric crystalline polymers since the past 15 years. A number of applications such as electrostriction, electric energy storage, and electrocaloric cooling have been realized by utilizing these novel ferroelectric properties. However, the fundamental understanding is still lacking. In this invited talk, we intend to unravel the basic physics behind these novel ferroelectric behaviors via systematic studies of poly(vinylidene fluoride-co-trifluoroethylene) [P(VDF-TrFE)]-based terpolymers and e-beam irradiated copolymers. It is found that both crystal internal structure and crystal-amorphous interaction are important for achieving the RFE and DHL behaviors. For the crystal internal structure effect, friction-free dipole switching and nanodomain formation by pinning the polymer chains are essential, and they can be achieved via the mechanism of crystal repeating unit isomorphism. Physical pinning [e.g., in P(VDF-TrFE)-based terpolymers] induces a reversible RFE <-->FE phase transition and thus the DHL behavior, whereas chemical pinning [e.g., in e-beam irradiated P(VDF-TrFE)] results in the RFE behavior. Finally, the crystal-amorphous interaction (or the nanoconfinement effect) results in a competition between the polarization and depolarization local fields. When the depolarization field becomes stronger than the polarization field, a DHL behavior can also be observed. Obviously, the physics is different from ceramics and can be largely attributed to the long chain nature of semicrystalline ferroelectric polymers. This understanding will help us design new ferroelectric polymers with improved electroactive properties and/or better applications. This work is supported by NSF DMR-0907580.

  12. The Effect of Protein Impurities on Lysozyme Crystal Growth

    NASA Technical Reports Server (NTRS)

    Judge, Russell A.; Forsythe, Elizabeth L.; Pusey, Marc L.

    1998-01-01

    While bulk crystallization from impure solutions is used industrially as a purification step for a wide variety of materials, it is a technique that has rarely been used for proteins. Proteins have a reputation for being difficult to crystallize and high purity of the initial crystallization solution is considered paramount for success in the crystallization. Although little is written on the purifying capability of protein crystallization or of the effect of impurities on the various aspects of the crystallization process, recent published reports show that crystallization shows promise and feasibility as a purification technique for proteins. In order to further examine the issue of purity in macromolecule crystallization this study investigates the effect of the protein impurities, avidin, ovalbumin and conalbumin, at concentrations up to 50%, on the solubility, crystal face growth rates and crystal purity, of the protein lysozyme. Solubility was measured in batch experiments while a computer controlled video microscope system was used to measure the f {101} and {101} lysozyme crystal face growth rates. While little effect was observed on solubility and high crystal purity was obtained (>99.99%), the effect of the impurities on the face growth rates varied from no effect to a significant face specific effect leading to growth cessation, a phenomenon that is frequently observed in protein crystal growth. The results shed interesting light on the effect of protein impurities on protein crystal growth and strengthen the feasibility of using crystallization as a unit operation for protein purification.

  13. The Effect of Protein Impurities on Lysozyme Crystal Growth

    NASA Technical Reports Server (NTRS)

    Judge, Russell A.; Forsythe, Elizabeth L.; Pusey, Marc L.

    1998-01-01

    While bulk crystallization from impure solutions is used industrially as a purification step for a wide variety of materials, it is a technique that has rarely been used for proteins. Proteins have a reputation for being difficult to crystallize and high purity of the initial crystallization solution is considered paramount for success in the crystallization. Although little is written on the purifying capability of protein crystallization or of the effect of impurities on the various aspects of the crystallization process, recent published reports show that crystallization shows promise and feasibility as a purification technique for proteins. In order to further examine the issue of purity in macromolecule crystallization this study investigates the effect of the protein impurities, avidin, ovalbumin and conalbumin, at concentrations up to 50%, on the solubility, crystal face growth rates and crystal purity, of the protein lysozyme. Solubility was measured in batch experiments while a computer controlled video microscope system was used to measure the f {101} and {101} lysozyme crystal face growth rates. While little effect was observed on solubility and high crystal purity was obtained (>99.99%), the effect of the impurities on the face growth rates varied from no effect to a significant face specific effect leading to growth cessation, a phenomenon that is frequently observed in protein crystal growth. The results shed interesting light on the effect of protein impurities on protein crystal growth and strengthen the feasibility of using crystallization as a unit operation for protein purification.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. Fabrication of Crystals and Devices for Studies of Field Induced Superconductivity

    NASA Astrophysics Data System (ADS)

    Kloc, Christian

    2002-03-01

    It was demonstrated that injection of electrons or holes into materials using field effect transistor can transform the surface layer into a metal or at low enough temperatures even into a superconductor. Which substances could exhibit electric field induced superconductivity is currently not well know. Superconductivity has been successfully induced in single crystals of arenes, (pentacene Tc = 2 K, tetracene Tc = 2.7K, anthracene Tc = 4 K) oligophenylenevinylenes (trimer Tc =4.2K , tetramer Tc=2.9 K and pentamer, Tc= 2 K) sexithiophene, polymer thin film (regioregular polythiophene, Tc = 2.35 K) and single crystals of pure and intercalated fullerenes (hole and electron doped C60 Tc = 52 and 11K, C70, Tc = 7K and substituted C60, Tc = up to 117 K). Additional, Schon et al. have reported the observation of field induced superconductivity in copper oxide compounds. Despite of relative simple device structures, they consist of semiconducting single crystals or well oriented thin films, metal source and drain electrodes, an aluminum oxide dielectric layer and a conducting gate electrode, the fabrication is onerous and the significance of particular technological steps to functionality of a whole device is not well explored. In this presentation I would like to discuss these technological procedures leading to superconducting devices and further developments in search for high temperature superconducting organics.

  19. 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.

  20. Angular effects on thermochromic liquid crystal thermography

    NASA Astrophysics Data System (ADS)

    Kodzwa, Paul M.; Eaton, John K.

    2007-12-01

    This paper directly discusses the effects of lighting and viewing angles on liquid crystal thermography. This is because although thermochromic liquid crystals (TLCs) are a widely-used and accepted tool in heat transfer research, little effort has been directed to analytically describing these effects. Such insight is invaluable for the development of effective mitigation strategies. Using analytical relationships that describe the perceived color shift, a systematic manner of improving the performance of a TLC system is presented. This is particularly relevant for applications where significant variations in lighting and/or viewing angles are expected (such as a highly curved surface). This discussion includes an examination of the importance of the definition of the hue angle used to calibrate the color of a TLC-painted surface. The theoretical basis of the validated high-accuracy calibration approach reported by Kodzwa et al. (Exp Fluids s00348-007-0310-6, 2007) is presented.

  1. Synthesis and superconducting properties of FeTe1-xSe Single Crystals under high magnetic fields

    NASA Astrophysics Data System (ADS)

    Gebre, Tesfaye; Li, G.; Whalen, J.; Conner, B.; Kostov, M.; Siegrist, T.; Balicas, L.

    2011-03-01

    Single crystals of superconductor FeTe 1-x Se x (0.1 <= x <= 0.5) were synthesized using optical floating zone, Bridgeman technique, and solid stat reaction. The samples were synthesized under various temperature gradients and cooling rates. Crystals were characterized via EDX, X-ray scattering, magnetization and transport measurements. Upper critical fields Hc 2 as estimated through the Werthamer-Hohenberg-Helfand (WHH) formalism indicate that these materials strongly surpass the weak coupling Pauli limiting field indicating that the shape of their phase diagram under field is essentially controlled by the Pauli effect. Annealing, leads to a metallic temperature dependence of the resistivity, and to sharper superconducting transitions. Despite the relatively small increase in single crystallinity, as quantified by single crystal x-ray diffraction measurements, we observe a different phase diagram under high magnetic fields when compared to non-annealed samples.

  2. 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. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. High-resolution X-ray absorption spectroscopy as a probe of crystal-field and covalency effects in actinide compounds

    SciTech Connect

    Butorin, Sergei M.; Kvashnina, Kristina O.; Vegelius, Johan R.; Meyer, Daniel; Shuh, David K.

    2016-07-01

    Applying the high-energy resolution fluorescence-detection (HERFD) mode of X-ray absorption spectroscopy (XAS), we were able to probe, for the first time to our knowledge, the crystalline electric field (CEF) splittings of the 5f shell directly in the HERFD-XAS spectra of actinides. Using ThO2 as an example, data measured at the Th 3d edge were interpreted within the framework of the Anderson impurity model. Because the charge-transfer satellites were also resolved in the HERFD-XAS spectra, the analysis of these satellites revealed that ThO2 is not an ionic compound as previously believed. The Th 6d occupancy in the ground state was estimated to be twice that of the Th 5f states. Here, we demonstrate that HERFD-XAS allows for characterization of the CEF interaction and degree of covalency in the ground state of actinide compounds as it is extensively done for 3d transition metal systems.

  4. High-resolution X-ray absorption spectroscopy as a probe of crystal-field and covalency effects in actinide compounds

    DOE PAGES

    Butorin, Sergei M.; Kvashnina, Kristina O.; Vegelius, Johan R.; ...

    2016-07-01

    Applying the high-energy resolution fluorescence-detection (HERFD) mode of X-ray absorption spectroscopy (XAS), we were able to probe, for the first time to our knowledge, the crystalline electric field (CEF) splittings of the 5f shell directly in the HERFD-XAS spectra of actinides. Using ThO2 as an example, data measured at the Th 3d edge were interpreted within the framework of the Anderson impurity model. Because the charge-transfer satellites were also resolved in the HERFD-XAS spectra, the analysis of these satellites revealed that ThO2 is not an ionic compound as previously believed. The Th 6d occupancy in the ground state was estimatedmore » to be twice that of the Th 5f states. Here, we demonstrate that HERFD-XAS allows for characterization of the CEF interaction and degree of covalency in the ground state of actinide compounds as it is extensively done for 3d transition metal systems.« less

  5. High-resolution X-ray absorption spectroscopy as a probe of crystal-field and covalency effects in actinide compounds.

    PubMed

    Butorin, Sergei M; Kvashnina, Kristina O; Vegelius, Johan R; Meyer, Daniel; Shuh, David K

    2016-07-19

    Applying the high-energy resolution fluorescence-detection (HERFD) mode of X-ray absorption spectroscopy (XAS), we were able to probe, for the first time to our knowledge, the crystalline electric field (CEF) splittings of the [Formula: see text] shell directly in the HERFD-XAS spectra of actinides. Using ThO2 as an example, data measured at the Th 3d edge were interpreted within the framework of the Anderson impurity model. Because the charge-transfer satellites were also resolved in the HERFD-XAS spectra, the analysis of these satellites revealed that ThO2 is not an ionic compound as previously believed. The Th [Formula: see text] occupancy in the ground state was estimated to be twice that of the Th [Formula: see text] states. We demonstrate that HERFD-XAS allows for characterization of the CEF interaction and degree of covalency in the ground state of actinide compounds as it is extensively done for 3d transition metal systems.

  6. High-resolution X-ray absorption spectroscopy as a probe of crystal-field and covalency effects in actinide compounds

    PubMed Central

    Butorin, Sergei M.; Kvashnina, Kristina O.; Vegelius, Johan R.; Meyer, Daniel; Shuh, David K.

    2016-01-01

    Applying the high-energy resolution fluorescence-detection (HERFD) mode of X-ray absorption spectroscopy (XAS), we were able to probe, for the first time to our knowledge, the crystalline electric field (CEF) splittings of the 5f shell directly in the HERFD-XAS spectra of actinides. Using ThO2 as an example, data measured at the Th 3d edge were interpreted within the framework of the Anderson impurity model. Because the charge-transfer satellites were also resolved in the HERFD-XAS spectra, the analysis of these satellites revealed that ThO2 is not an ionic compound as previously believed. The Th 6d occupancy in the ground state was estimated to be twice that of the Th 5f states. We demonstrate that HERFD-XAS allows for characterization of the CEF interaction and degree of covalency in the ground state of actinide compounds as it is extensively done for 3d transition metal systems. PMID:27370799

  7. Beam Collapse and Polarization Self-Modulation in an Optically Active Photorefractive Crystal in an Alternating Electric Field

    NASA Astrophysics Data System (ADS)

    Fuentes-Hernández, C. A.; Khomenko, A. V.

    1999-08-01

    Consistent experimental and numerical simulation studies of the propagation of a one-dimensional Gaussian beam in optically active BSO crystal in the presence of an alternating external field are presented. We have observed three forms of the beam evolution: (i) polarization-dependent self-bending, in which the crystal acts as a nonlinear polarization beam splitter; (ii) spatially nonuniform self-modulation of the state of polarization; (iii) formation of narrow inclined waveguides within the Gaussian beam. The effects of optical activity and the crystal orientation are discussed.

  8. Dual gauge field theory of quantum liquid crystals in two dimensions

    DOE PAGES

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

    2017-04-18

    We present a self-contained review of the theory of dislocation-mediated quantum melting at zero temperature in two spatial dimensions. The theory describes the liquid-crystalline phases with spatial symmetries in between a quantum crystalline solid and an isotropic superfluid: quantum nematics and smectics. It is based on an Abelian-Higgs-type duality mapping of phonons onto gauge bosons (“stress photons”), which encode for the capacity of the crystal to propagate stresses. Dislocations and disclinations, the topological defects of the crystal, are sources for the gauge fields and the melting of the crystal can be understood as the proliferation (condensation) of these defects, givingmore » rise to the Anderson–Higgs mechanism on the dual side. For the liquid crystal phases, the shear sector of the gauge bosons becomes massive signaling that shear rigidity is lost. After providing the necessary background knowledge, including the order parameter theory of two-dimensional quantum liquid crystals and the dual theory of stress gauge bosons in bosonic crystals, the theory of melting is developed step-by-step via the disorder theory of dislocation-mediated melting. Resting on symmetry principles, we derive the phenomenological imaginary time actions of quantum nematics and smectics and analyze the full spectrum of collective modes. The quantum nematic is a superfluid having a true rotational Goldstone mode due to rotational symmetry breaking, and the origin of this ‘deconfined’ mode is traced back to the crystalline phase. The two-dimensional quantum smectic turns out to be a dizzyingly anisotropic phase with the collective modes interpolating between the solid and nematic in a non-trivial way. We also consider electrically charged bosonic crystals and liquid crystals, and carefully analyze the electromagnetic response of the quantum liquid crystal phases. In particular, the quantum nematic is a real superconductor and shows the Meissner effect. Furthermore

  9. 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.

  10. Microwave field effect transistor

    NASA Technical Reports Server (NTRS)

    Huang, Ho-Chung (Inventor)

    1989-01-01

    Electrodes of a high power, microwave field effect transistor are substantially matched to external input and output networks. The field effect transistor includes a metal ground plane layer, a dielectric layer on the ground plane layer, a gallium arsenide active region on the dielectric layer, and substantially coplanar spaced source, gate, and drain electrodes having active segments covering the active region. The active segment of the gate electrode is located between edges of the active segments of the source and drain electrodes. The gate and drain electrodes include inactive pads remote from the active segments. The pads are connected directly to the input and output networks. The source electrode is connected to the ground plane layer. The space between the electrodes and the geometry of the electrodes extablish parasitic shunt capacitances and series inductances that provide substantial matches between the input network and the gate electrode and between the output network and the drain electrode. Many of the devices are connected in parallel and share a common active region, so that each pair of adjacent devices shares the same source electrodes and each pair of adjacent devices shares the same drain electrodes. The gate electrodes for the parallel devices are formed by a continuous stripe that extends between adjacent devices and is connected at different points to the common gate pad.

  11. 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

  12. Study of Effects of Gravity on Crystallization

    NASA Technical Reports Server (NTRS)

    Smith, Guy A.; Workman, Gary L.; OBrian, Susan

    1996-01-01

    The effect of gravity on the crystallization behavior of fluoride fibers is being investigated by performing fiber annealing experiments on NASA's KC-135 using commercial grade fibers donated by industrial partners. The successful observations of reduced formation of microcrystallites in reduced gravity of the parabolic flights will be repeated to confirm earlier results. The design and implementation of an automated sting assembly for use in space fiber drawing experiments will also be emphasized in this study.

  13. PHOTOMAGNETOELECTRIC EFFECT OF CDS SINGLE CRYSTALS AND OF BISMUTH ROLLED FOILS. THERMOMAGNETOELECTRIC EFFECT OF CONTACTS BI-CU, GE-CU AND SI-CU.

    DTIC Science & Technology

    CADMIUM SULFIDES, *BISMUTH, TRANSPORT PROPERTIES, TRANSPORT PROPERTIES, SINGLE CRYSTALS, FOILS(MATERIALS), PHOTOCONDUCTIVITY, CHARGE CARRIERS, GERMANIUM, MAGNETIC FIELDS, SEEBECK EFFECT , TEMPERATURE, COPPER, SILICON.

  14. 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

  15. Spatial Distribution of -Crystals in Metallocene-Made Isotactic Polypropylene Crystallized under Combined Thermal and Flow Fields

    SciTech Connect

    Wang, Y.; Pan, J; Mao, Y; Li, Z; Li, L; Hsiao, B

    2010-01-01

    The present Article reports the relationships between molecular orientation, formation, and spatial distribution of {gamma}-crystals in metallocene-made isotactic polypropylene (m-iPP) samples prepared by two industrial processes: conventional injection molding (CIM) and oscillatory shear injection molding (OSIM), in which combined thermal and flow fields typically exist. In particular, spatial distributions of crystallinity, fraction of {gamma}-crystal (f{gamma}) with respect to {alpha}-crystal, and lamella-branched shish-kebab structure in the shaped samples were characterized by synchrotron two-dimensional (2D) wide-angle X-ray diffraction (WAXD) and small-angle X-ray scattering (SAXS) techniques. The results showed that the crystallinity in any given region of OSIM samples was always higher than that of CIM samples. The value of f{gamma} increased monotonously from skin to core in CIM samples, whereas the corresponding f{gamma} increased nonmonotonically in OSIM samples. The spatial distribution of {gamma}-crystal in OSIM samples can be explained by the epitaxial arrangement between {gamma}- and {alpha}-crystal in a lamella-branched shish-kebab structure. In the proposed model, the parent lamellae of {alpha}-crystal provide secondary nucleation sites for daughter lamellae of {alpha}-crystal and {gamma}-crystal, and the different content of parent lamellae results in varying amounts of {gamma}-crystal. In OSIM samples, the smallest parent-daughter ratio ([R] = 1.38) in the core region led to the lowest fraction of {gamma}-crystal (0.57), but relatively higher {gamma}-crystal content (0.69) at 600 and 1200 {micro}m depth of the samples (corresponding to [R] of 4.5 and 5.8, respectively). This is consistent with the proposed model where more parent lamellae provide more nucleation sites for crystallization, thus resulting in higher content of {gamma}-crystal. The melting behavior of CIM and OSIM samples was studied by differential scanning calorimetery (DSC). The

  16. 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.

  17. Phase-field modeling of two-dimensional crystal growth with anisotropic diffusion

    NASA Astrophysics Data System (ADS)

    Meca, Esteban; Shenoy, Vivek B.; Lowengrub, John

    2013-11-01

    In the present article, we introduce a phase-field model for thin-film growth with anisotropic step energy, attachment kinetics, and diffusion, with second-order (thin-interface) corrections. We are mainly interested in the limit in which kinetic anisotropy dominates, and hence we study how the expected shape of a crystallite, which in the long-time limit is the kinetic Wulff shape, is modified by anisotropic diffusion. We present results that prove that anisotropic diffusion plays an important, counterintuitive role in the evolving crystal shape, and we add second-order corrections to the model that provide a significant increase in accuracy for small supersaturations. We also study the effect of different crystal symmetries and discuss the influence of the deposition rate.

  18. 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.

  19. Effects of electrohydrodynamic instability in smectic C liquid crystals

    NASA Astrophysics Data System (ADS)

    Denisova, O. A.; Chuvyrov, A. N.

    2013-03-01

    The effects of electrohydrodynamic instability (EHDI) in smectic C liquid crystals in an electric field are studied. The objects of study are oriented layers of para-hydroxybenzoic acid possessing a smectic phase. The observed effects are divided into three groups according to the character of the motion of molecular centers of mass and the orientation of the director and the smectic C liquid crystal layers. The instabilities of the azimuthal and Kapustin-Williams domains are experimentally found. The experimental cell consists of two glass plates with tin dioxide electrodes separated by Mylar spacers of a specified thickness. Various schemes of domain rotation are considered. The EHDI is found to depend on the layer geometry.

  20. 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.

  1. 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.

  2. Fishtail effect in twinned and detwinned YBCO single crystals

    NASA Astrophysics Data System (ADS)

    Boudissa, M.; Halimi, R.; Frikach, K.; Senoussi, S.

    2006-09-01

    We have studied the magnetization hysteresis loops of a twinned and detwinned single crystals in a temperature range between 4.2 and 100 K and a magnetic field (H) range between 0 and 6 T. We carried out relaxation measurements on the samples at different temperatures and magnetic fields. We investigated the twin pinning as a function of temperature (T) and the fishtail anomaly in the critical current density of the two samples. We tried in this study to confirm or infirm the different models which explain the fishtail effect by confronting them to our experimental results We found that the collective creep theory is consistent with the results of our experiment in the field region where the magnetization is at its minimum. This field marks a crossover between the small and large bundle pinning regimes.

  3. 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.

  4. Effect of crucible and crystal rotations on the convexity and the thermal stress in large size sapphire crystals during Czochralski growth

    NASA Astrophysics Data System (ADS)

    Nguyen, Tran Phu; Hsieh, Yao-Te; Chen, Jyh-Chen; Hu, Chieh; Nguyen, Huy Bich

    2017-06-01

    In this study, the effect of the temperature and flow fields generated by the rotation of the crucible and the crystal on the convexity of a c-axis, large-diameter sapphire crystal during the Czochralski growth process is investigated numerically. The thermal stress distributions in different sizes of crystal are also considered. The computational results show that the convexity and the thermal stress of the crystal are strongly dependent on the crucible and crystal rotation rates. The counter rotation between the crucible and the crystal results in a flatter crystal-melt interface, compared to the case of no crucible rotation or crystal rotation. Maximum thermal stress occurs at the highest curvature of the crystal-melt interface which appears near the center of the growing crystal, and the value is directly proportional to the crystal's size. Moreover, there is a significant decrease in the von Mises stress for the crystal-melt interface with lower convexity due to a reduction in the temperature gradient in the radial direction along the interface. As the crystal length gets larger, the maximum von Mises stress rapidly reduces.

  5. 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

  6. 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.

  7. Antisolvent crystallization: Effect of ethanol on batch crystallization of α glycine

    NASA Astrophysics Data System (ADS)

    El Bazi, Wail; Porte, Catherine; Mabille, Isabelle; Havet, Jean-Louis

    2017-10-01

    This article concerns the crystallization of glycine in a water/antisolvent medium in batch mode. The influence of the presence of ethanol on the crystallization characteristics, saturation and supersaturation limits, and the fundamental mechanisms of nucleation and crystal growth was investigated. The stage controlling growth, diffusion or integration, was determined, and the effect of ethanol on diffusion was analyzed. Results show that increasing the percentage of ethanol in the crystallization medium decreases its solubility, reduces the supersaturation limit and accelerates the nucleation of glycine. The study of ethanol's effect on the growth kinetics of the α-glycine polymorph revealed that the presence of the alcohol slows down crystal growth. This work also made it possible to determine the stage limiting crystal growth at the point of integration with the crystal lattice.

  8. 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.

  9. 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 .

  10. 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.

  11. 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.

  12. Dynamic Behavior Analysis of Crystal with Magnetic Anisotropy under Imposition of Rotating Magnetic Field

    NASA Astrophysics Data System (ADS)

    Iwai, Kazuhiko

    2010-12-01

    The alignment behavior of a crystal with a magnetic anisotropy of χc < χa under the imposition of a rotating magnetic field has been investigated by numerical calculation. The promotion of the crystal alignment when the projection of the magnetically hard axis on the magnetic field rotating plane is parallel to the magnetic field direction and its suppression when the magnetically hard axis is perpendicular to the magnetic field direction can be explained by the fact that the direction of the driving torque acting on the crystal minimizes the magnetic energy. Non dimensional alignment time normalized by the alignment time under the imposition of a static field is constant in the out-of-step region where the crystal cannot follow the magnetic field rotation during its alignment. The initial phase difference between the projection of the magnetically hard axis on the magnetic field rotating plane and its direction hardly affects the alignment time in the out-of-step region but strongly affects that in the synchronous region where the crystal rotation synchronous with the magnetic field rotation. A crystal aligns quickly if the initial phase difference is between 0 and 90° in the synchronous region. The minimum alignment time is the same as that under the imposition of a static field.

  13. Phase-field simulations of crystal growth in a two-dimensional cavity flow

    NASA Astrophysics Data System (ADS)

    Lee, Seunggyu; Li, Yibao; Shin, Jaemin; Kim, Junseok

    2017-07-01

    In this paper, we consider a phase-field model for dendritic growth in a two-dimensional cavity flow and propose a computationally efficient numerical method for solving the model. The crystal is fixed in the space and cannot be convected in most of the previous studies, instead the supercooled melt flows around the crystal, which is hard to be realized in the real world experimental setting. Applying advection to the crystal equation, we have problems such as deformation of crystal shape and ambiguity of the crystal orientation for the anisotropy. To resolve these difficulties, we present a phase-field method by using a moving overset grid for the dendritic growth in a cavity flow. Numerical results show that the proposed method can predict the crystal growth under flow.

  14. 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.

  15. Characterizing configurable transmission modes in plasma photonic crystals using scanning field mapping

    NASA Astrophysics Data System (ADS)

    Wang, Benjamin; Cappelli, Mark

    2016-10-01

    A fully tunable plasma photonic crystal is used to control the propagation of free space electromagnetic waves in the S to X band of the microwave spectrum. A structured array of discharge plasma tubes are arranged in a square crystal lattice with the individual plasma dielectric constant tuned through variation in the plasma density. Microwave field-mapping is used to characterize the transmitted electromagnetic fields of the tunable device operating in waveguiding and bending modes. These modes are obtained by introducing appropriate line defects in the photonic crystal structure by controlling the activity of individual plasma tubes. Comparisons are made of the measured fields to those simulated using commercially-available software.

  16. 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.

  17. Polymer crystallization in a temperature gradient field with controlled crystal growth rate

    NASA Technical Reports Server (NTRS)

    Hansen, D.; Taskar, A. N.; Casale, O.

    1971-01-01

    A method is described for studying the influence of a temperature gradient on the crystallization of quiescent polymer melts. The apparatus used consists of two brass plates with embedded electrical resistance heaters and cooling coils. The crystallizations experiments were conducted by placing polymer specimens between the paltes, and manually adjusting heaters and cooling fluids for temperature control. Linear polyethylene, isotactic polyprophylene, and a high density polyethylene were used. It is concluded that the role of a temperature gradient in producing oriented crystallization is in producing conditions which lead the spherulitic growth pattern to proceed primarily in one direction. Steep gradients diminish the penetration of supercooling and favors oriented growth.

  18. DDA Computations of Porous Aggregates with Forsterite Crystals: Effects of Crystal Shape and Crystal Mass Fraction

    NASA Technical Reports Server (NTRS)

    Wooden, Diane H.; Lindsay, Sean S.; Harker, David; Woodward, Charles; Kelley, Michael S.; Kolokolova, Ludmilla

    2015-01-01

    Porous aggregate grains are commonly found in cometary dust samples and are needed to model cometary IR spectral energy distributions (SEDs). Models for thermal emissions from comets require two forms of silicates: amorphous and crystalline. The dominant crystal resonances observed in comet SEDs are from Forsterite (Mg2SiO4). The mass fractions that are crystalline span a large range from 0.0 < or = fcrystal < or = 0.74. Radial transport models that predict the enrichment of the outer disk (>25 AU at 1E6 yr) by inner disk materials (crystals) are challenged to yield the highend-range of cometary crystal mass fractions. However, in current thermal models, Forsterite crystals are not incorporated into larger aggregate grains but instead only are considered as discrete crystals. A complicating factor is that Forsterite crystals with rectangular shapes better fit the observed spectral resonances in wavelength (11.0-11.15 microns, 16, 19, 23.5, 27, and 33 microns), feature asymmetry and relative height (Lindley et al. 2013) than spherically or elliptically shaped crystals. We present DDA-DDSCAT computations of IR absorptivities (Qabs) of 3 micron-radii porous aggregates with 0.13 < or = fcrystal < or = 0.35 and with polyhedral-shaped Forsterite crystals. We can produce crystal resonances with similar appearance to the observed resonances of comet Hale- Bopp. Also, a lower mass fraction of crystals in aggregates can produce the same spectral contrast as a higher mass fraction of discrete crystals; the 11micron and 23 micron crystalline resonances appear amplified when crystals are incorporated into aggregates composed otherwise of spherically shaped amorphous Fe-Mg olivines and pyroxenes. We show that the optical properties of a porous aggregate is not linear combination of its monomers, so aggregates need to be computed. We discuss the consequence of lowering comet crystal mass fractions by modeling IR SEDs with aggregates with crystals, and the implications for radial

  19. Crystallization of potash alum: effect of power ultrasound.

    PubMed

    Amara, N; Ratsimba, B; Wilhelm, A M; Delmas, H

    2001-07-01

    The influence of power ultrasound on the crystallization of potash alum was investigated. Experiments have been carried out in a batch stirred vessel. It was found that ultrasonic waves decrease the supersaturation limits and modify the morphology of the crystals produced. The average crystal size decreases with an increase of ultrasonic power. To investigate also the action of ultrasound on already existing crystals, crystals produced in silent conditions were suspended in saturated potash alum solution at various ultrasonic powers. The results show that ultrasound has also an abrasive effect on potash alum crystals for high power inputs.

  20. 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.

  1. Plasmon electro-optic effect in a subwavelength metallic nanograting with a nematic liquid crystal

    NASA Astrophysics Data System (ADS)

    Palto, S. P.; Barnik, M. I.; Kasyanova, I. V.; Geivandov, A. R.; Shtykov, N. M.; Artemov, V. V.; Gorkunov, M. V.

    2016-01-01

    The electro-optic effect in hybrid structures based on subwavelength metallic nanogratings in contact with a layer of a nematic liquid crystal has been experimentally studied. Metallic gratings are fabricated in the form of interdigitated electrodes, which makes it possible to use them not only as optical elements but also for the production of an electric field in a thin surface region of the layer of the liquid crystal. It has been shown that, owing to the electric-field-induced reorientation of molecules of the liquid crystal near the surface of the grating, it is possible to significantly control the spectral features of the transmission of light, which are caused by the excitation of surface plasmons. The electro-optic effect is superfast for liquid crystal devices because a change in the optical properties of the system requires the reorientation of molecules only in a very thin surface layer of the liquid crystal.

  2. Paper field effect transistor

    NASA Astrophysics Data System (ADS)

    Fortunato, E.; Correia, Nuno; Barquinha, Pedro; Costa, Cláudia; Pereira, Luís; Gonçalves, Gonçalo; Martins, Rodrigo

    2009-02-01

    In this paper we report the use of a sheet of cellulose fiber-based paper as the dielectric layer used in oxide based semiconductor thin film field-effect transistors (FETs). In this new approach we are using the cellulose fiber-based paper in an "interstrate" structure since the device is build on both sides of the cellulose sheet. Such hybrid FETs present excellent operating characteristics such as high channel saturation mobility (>30 cm2/Vs), drain-source current on/off modulation ratio of approximately 104, near-zero threshold voltage, enhancement n-type operation and sub-threshold gate voltage swing of 0.8 V/decade. The cellulose fiber-based paper FETs characteristics have been measured in air ambient conditions and present good stability. The obtained results outpace those of amorphous Si TFTs and rival with the same oxide based TFTs produced on either glass or crystalline silicon substrates. The compatibility of these devices with large-scale/large-area deposition techniques and low cost substrates as well as their very low operating bias delineates this as a promising approach to attain high-performance disposable electronics like paper displays, smart labels, smart packaging, RFID and point-of-care systems for self analysis in bio-applications, among others.

  3. 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.

  4. 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.

  5. A simplified finite element model for numerical simulation of temperature field and optimization of parameters in single crystal growth by optical floating zone technique

    NASA Astrophysics Data System (ADS)

    Yan, Yinzhou; Shi, Mengjie; Wang, Qiang; Jiang, Yijian

    2017-06-01

    Optical floating zone (OFZ) is one of the most extensively used techniques to grow a variety of bulk crystals, especially single crystals of metal oxides. Although the growth parameters have been identified to be the nature of feed rod, lamp power, rotation rate, growth atmosphere and gas pressure, etc., few studies revealed the effects of these parameters on temperature field during crystal growth in image furnaces. It is well known that the temperature gradient is the driving force for float zone crystal growth. Therefore, it is essential to obtain the major growth parameters affecting OFZ temperature field. In this work, a simplified finite element (FE) model was developed for numerical simulation of temperature field during OFZ crystal growth. The effects of major growth parameters (i.e. lamp power, lamp filament, and molten zone geometry) on temperature field during OFZ crystal growth were hence identified theoretically and validated experimentally. According to the numerical calculation, the growth parameters were optimized and high-quality TiO2 single crystal was grown in practice. Prospectively, the FE model presented in this work can be applied to optimize growth parameters for other crystals as well as opens up new opportunities to understand the physical process of OFZ crystal growth in a simple and scientific way.

  6. Pyroelectric properties and electrocaloric effect in TGS1-xPx single crystals

    NASA Astrophysics Data System (ADS)

    Sampathkumar, P.; Srinivasan, K.

    2016-10-01

    Triglycine sulfate (TGS) single crystals modified with phosphoric acid (TGS1-xPx) have been grown by slow evaporation technique at room temperature. Lattice parameters were identified by using single crystal x-ray diffractometer. The dielectric, pyroelectric, ferroelectric properties and electrocaloric effect have been investigated. Curie temperature of grown crystals was determined from dielectric constant measurements at various temperatures at a frequency of 1 kHz. The Curie temperature is found decreased for the TGS single crystals with the addition of phosphoric acid. Room temperature P-E hysteresis loops of TGS1-xPx single crystals are presented. The values of coercive field Ec, spontaneous polarization Ps and internal bias field Eb were obtained from the hysteresis loops. Discussion on pyroelectric properties as a function of temperature and applied electric field is presented. Figure of merits (FOMs) were determined to study the pyroelectric performance of the grown crystals. Among all compositions of x, x = 0.2 (i.e., TGS0.8P0.2) single crystals exhibited the largest pyroelectric coefficient and pyroelectric figure of merit at room temperature. From the above investigations the electrocaloric temperature change, ΔT of TGS1-xPx single crystals at selected applied fields and temperatures are obtained by indirect method and discussed.

  7. Simulation of jet cooling effects on Czochralski crystal growth

    NASA Technical Reports Server (NTRS)

    Srivastava, R. K.; Ramachandran, P. A.; Dudukovic, M. P.

    1986-01-01

    The effects of cooling the crystal side surface by blowing a jet of an inert gas are examined in detail for Czochralski crystal growth. A combined model of the crystal + melt, which incorporates the detailed radiation calculations, the shape of the melt-gas meniscus, predicts the growth rate and the crystal-melt interface shape, is used for this study. The convective heat transfer coefficient for the jet is estimated from the correlation available in the literature. The effect of the jet cooling on the interface shape and the pulling rate is significant. The crystal diameter as well as the interface shape tend to be more stable in the environment of the rapid cooling of the crystal by the jet. The crystal diameter or the interface shape can be easily controlled by adjusting the gas flow rate through the jet. This gives the Czochralski pulling an additional degree of freedom facilitating the control of crystal diameter and interface shape.

  8. Simulation of jet cooling effects on Czochralski crystal growth

    NASA Technical Reports Server (NTRS)

    Srivastava, R. K.; Ramachandran, P. A.; Dudukovic, M. P.

    1986-01-01

    The effects of cooling the crystal side surface by blowing a jet of an inert gas are examined in detail for Czochralski crystal growth. A combined model of the crystal + melt, which incorporates the detailed radiation calculations, the shape of the melt-gas meniscus, predicts the growth rate and the crystal-melt interface shape, is used for this study. The convective heat transfer coefficient for the jet is estimated from the correlation available in the literature. The effect of the jet cooling on the interface shape and the pulling rate is significant. The crystal diameter as well as the interface shape tend to be more stable in the environment of the rapid cooling of the crystal by the jet. The crystal diameter or the interface shape can be easily controlled by adjusting the gas flow rate through the jet. This gives the Czochralski pulling an additional degree of freedom facilitating the control of crystal diameter and interface shape.

  9. Ab initio calculation of crystal field parameters in several RT{sub 5} (R= rare earth; T = Co,Ni) compounds

    SciTech Connect

    Novak, P.; Kuriplach, J.

    1994-03-01

    Electronic structure of RNi{sub 5} (R=Nd, Sm, Eu, Gd) and SmCo{sub 5} compounds is calculated using the FLAPW method. The parameters of the effective crystal field hamiltonian acting on 4f states of the rare-earth atom are then determined from the nonspherical part of the crystal potential.

  10. An effective packing density of binary cubic crystals

    NASA Astrophysics Data System (ADS)

    Eremin, I. E.; Eremina, V. V.; Sychev, M. S.; Moiseenko, V. G.

    2015-04-01

    The methodology of effective macroscopic calculation of numerical values of internuclear distances in binary crystals of a cubic crystal system is based on the use of coefficients of the structural packing density of the crystal lattice. The possibility of combining the reference data on the main physicochemical parameters of the substance is implemented by synthesis of the corresponding mathematical models.

  11. 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)

  12. 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)

  13. Electric Field Effects in RUS Measurements

    SciTech Connect

    Darling, Timothy W; Ten Cate, James A; Allured, Bradley; Carpenter, Michael A

    2009-09-21

    Much of the power of the Resonant Ultrasound Spectroscopy (RUS) technique is the ability to make mechanical resonance measurements while the environment of the sample is changed. Temperature and magnetic field are important examples. Due to the common use of piezoelectric transducers near the sample, applied electric fields introduce complications, but many materials have technologically interesting responses to applied static and RF electric fields. Non-contact optical, buffered, or shielded transducers permit the application of charge and externally applied electric fields while making RUS measurements. For conducting samples, in vacuum, charging produces a small negative pressure in the volume of the material - a state rarely explored. At very high charges we influence the electron density near the surface so the propagation of surface waves and their resonances may give us a handle on the relationship of electron density to bond strength and elasticity. Our preliminary results indicate a charge sign dependent effect, but we are studying a number of possible other effects induced by charging. In dielectric materials, external electric fields influence the strain response, particularly in ferroelectrics. Experiments to study this connection at phase transformations are planned. The fact that many geological samples contain single crystal quartz suggests a possible use of the piezoelectric response to drive vibrations using applied RF fields. In polycrystals, averaging of strains in randomly oriented crystals implies using the 'statistical residual' strain as the drive. The ability to excite vibrations in quartzite polycrystals and arenites is explored. We present results of experimental and theoretical approaches to electric field effects using RUS methods.

  14. Electric field effects in RUS measurements.

    PubMed

    Darling, Timothy W; Allured, Bradley; Tencate, James A; Carpenter, Michael A

    2010-02-01

    Much of the power of the Resonant Ultrasound Spectroscopy (RUS) technique is the ability to make mechanical resonance measurements while the environment of the sample is changed. Temperature and magnetic field are important examples. Due to the common use of piezoelectric transducers near the sample, applied electric fields introduce complications, but many materials have technologically interesting responses to applied static and RF electric fields. Non-contact optical, buffered, or shielded transducers permit the application of charge and externally applied electric fields while making RUS measurements. For conducting samples, in vacuum, charging produces a small negative pressure in the volume of the material--a state rarely explored. At very high charges we influence the electron density near the surface so the propagation of surface waves and their resonances may give us a handle on the relationship of electron density to bond strength and elasticity. Our preliminary results indicate a charge sign dependent effect, but we are studying a number of possible other effects induced by charging. In dielectric materials, external electric fields influence the strain response, particularly in ferroelectrics. Experiments to study this connection at phase transformations are planned. The fact that many geological samples contain single crystal quartz suggests a possible use of the piezoelectric response to drive vibrations using applied RF fields. In polycrystals, averaging of strains in randomly oriented crystals implies using the "statistical residual" strain as the drive. The ability to excite vibrations in quartzite polycrystals and arenites is explored. We present results of experimental and theoretical approaches to electric field effects using RUS methods.

  15. 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.

  16. Bragg diffraction of light from ultrasound in cubic centrosymmetric crystals in an external electric field

    SciTech Connect

    Kurilkina, S.N.

    1995-03-01

    Special features of noncollinear Bragg diffraction of light from ultrasound in centrosymmetric cubic crystals placed in an external electric field are considered. Particular cases of acousto-electro-optical interaction on (quasi-)longitudinal and (quasi-)transverse acoustic waves propagating the (001) and (110) planes are analyzed. The dependence of diffracted light energy characteristics on photoelastic and electro-optical parameters of a cubic centrosymmetric crystal, as well as external field strength and orientation, is determined. 11 refs., 2 figs.

  17. A study of the stress dependence of zero-field splitting for YGG: Mn 2+ crystal

    NASA Astrophysics Data System (ADS)

    Wen-Chen, Zheng

    1991-02-01

    The stress dependence of zero-field splitting for Mn 2+ ion in trigonal site of YGG crystal has been reasonably explained by calculating the spin-lattice coupling coefficients G44 within the framework of cubic symmetry approximation. On this basis, the zero-field splittings for Mn 2+ ion in the trigonal site of YGG and YAG crystals can also be interpreted in terms of the distinctive trigonal distortions.

  18. 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.

  19. 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.

  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. 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.

  2. Mean-Field Limit and Phase Transitions for Nematic Liquid Crystals in the Continuum

    NASA Astrophysics Data System (ADS)

    Bachmann, Sven; Genoud, François

    2017-08-01

    We discuss thermotropic nematic liquid crystals in the mean-field regime. In the first part of this article, we rigorously carry out the mean-field limit of a system of N rod-like particles as N→ ∞, which yields an effective `one-body' free energy functional. In the second part, we focus on spatially homogeneous systems, for which we study the associated Euler-Lagrange equation, with a focus on phase transitions for general axisymmetric potentials. We prove that the system is isotropic at high temperature, while anisotropic distributions appear through a transcritical bifurcation as the temperature is lowered. Finally, as the temperature goes to zero we also prove, in the concrete case of the Maier-Saupe potential, that the system converges to perfect nematic order.

  3. 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.

  4. 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.

  5. 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.

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

    PubMed

    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. Comparison of the simulations of cellulosic crystals with three carbohydrate force fields.

    PubMed

    Miyamoto, Hitomi; Schnupf, Udo; Crowley, Michael F; Brady, John W

    2016-03-03

    Three independently developed molecular mechanics force fields for carbohydrates have been used to simulate a suite of small molecule analogs of cellulose for which crystal structures have been reported, as a test to determine which might be best for simulations of cellulose itself. Such evaluation is necessary since the reported cellulose crystal structure is not stable in molecular dynamics simulations with any available force field. The present simulations found that all three resulted in small deviations from the reported crystal structures, but that all were reasonably accurate and none was clearly superior to the others for the entire suite of structures examined. Copyright © 2016 Elsevier Ltd. All rights reserved.

  8. 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.

  9. 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.

  10. Influence of Acoustic Field Structure on Polarization Characteristics of Acousto-optic Interaction in Crystals

    NASA Astrophysics Data System (ADS)

    Muromets, A. V.; Trushin, A. S.

    Influence of acoustic field structure on polarization characteristics of acousto-optic interaction is investigated. It is shown that inhomogeneity of acoustic field and mechanism of ultrasound excitation causes changes in values of acousto-optic figure of merit for ordinary and extraordinary light beams in comparison with theoretic values. The theoretic values were derived under assumption that acoustic wave is homogeneous. Experimental analysis was carried out in acousto-optic cell based on lithium niobate crystal where the acoustic wave propagates at the angle 13 degrees to Z axis of the crystal. We used three different methods of ultrasound generation in the crystal: by means of external piezotransducer, by interdigital transducer and by two sets of electrodes placed on top of the crystal surface. In the latter case, the first pair of the electrodes was directed along X crystal axis, while the second pair of the electrodes was directed orthogonally to X crystal axis and the direction of ultrasound. Obtained values for diffraction efficiencies for ordinary and extraordinary polarized optical beams were qualitatively different which may be caused by spatial inhomogeneity of the generated acoustic waves in the crystal. Structure of acoustic field generated by these sets of electrodes was examined by laser probing. We performed the analysis of the acoustic field intensity using acousto-optic method. A relation of diffraction efficiencies for ordinary and extraordinary light waves was measured during each iteration of the laser probing.

  11. Electric field effect in ultrathin black phosphorus

    SciTech Connect

    Koenig, Steven P.; Schmidt, Hennrik; Doganov, Rostislav A.; Castro Neto, A. H.; Özyilmaz, Barbaros

    2014-03-10

    Black phosphorus exhibits a layered structure similar to graphene, allowing mechanical exfoliation of ultrathin single crystals. Here, we demonstrate few-layer black phosphorus field effect devices on Si/SiO{sub 2} and measure charge carrier mobility in a four-probe configuration as well as drain current modulation in a two-point configuration. We find room-temperature mobilities of up to 300 cm{sup 2}/Vs and drain current modulation of over 10{sup 3}. At low temperatures, the on-off ratio exceeds 10{sup 5}, and the device exhibits both electron and hole conduction. Using atomic force microscopy, we observe significant surface roughening of thin black phosphorus crystals over the course of 1 h after exfoliation.

  12. Electric field effect in ultrathin black phosphorus

    NASA Astrophysics Data System (ADS)

    Koenig, Steven P.; Doganov, Rostislav A.; Schmidt, Hennrik; Castro Neto, A. H.; Özyilmaz, Barbaros

    2014-03-01

    Black phosphorus exhibits a layered structure similar to graphene, allowing mechanical exfoliation of ultrathin single crystals. Here, we demonstrate few-layer black phosphorus field effect devices on Si/SiO2 and measure charge carrier mobility in a four-probe configuration as well as drain current modulation in a two-point configuration. We find room-temperature mobilities of up to 300 cm2/Vs and drain current modulation of over 103. At low temperatures, the on-off ratio exceeds 105, and the device exhibits both electron and hole conduction. Using atomic force microscopy, we observe significant surface roughening of thin black phosphorus crystals over the course of 1 h after exfoliation.

  13. The effects of cryoprotectant on crystal stability

    NASA Astrophysics Data System (ADS)

    Xiao, Bing; Gamblin, Steven J.

    1996-10-01

    Cryogenic techniques are used to protect small crystals from radiation damage in order to collect a full data set from a single specimen. This paper reports our experience of flash-cooling crystals of five different proteins, but mainly 14-3-3 τ protein crystals. The combination of the extremely intense brilliant synchrotron source at ESRF and low temperature procedures enabled us to determine the structure of 14-3-3 τ protein using needle-like crystals which are less than 10 μm in two dimensions. The stability of these "cryo-crystals" and some serendipitous advantages of the use of cryoprotectant will be discussed below.

  14. Giant Goos-Hänchen effect and Fano resonance at photonic crystal surfaces.

    PubMed

    Soboleva, I V; Moskalenko, V V; Fedyanin, A A

    2012-03-23

    The Goos-Hänchen effect and Fano resonance are studied in photonic crystals that are considered Fourier counterparts in wave-vector-coordinate space. The Goos-Hänchen effect, which is enhanced by the excitation of Bloch surface electromagnetic waves, is visualized using far-field microscopy and measured at the surface of photonic crystals by angular spectroscopy. The maximal Goos-Hänchen shift is observed to be 66  μm.

  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. Radiation-electromagnetic effect in germanium single crystals

    SciTech Connect

    Kikoin, I.K.; Kikoin, L.I.; Lazarev, S.D.

    1980-10-01

    An experimental study was made of the radiation-electromagnetic effect in germanium single crystals when excess carriers were generated by bombardment with ..cap alpha.. particles, protons, or x rays in magnetic fields up to 8 kOe. The source of ..cap alpha.. particles and protons was a cyclotron and x rays were provided by a tube with a copper anode. The radiation-electromagnetic emf increased linearly on increase in the magnetic field and was directly proportional to the flux of charged particles at low values of the flux, reaching saturation at high values of the flux (approx.5 x 10/sup 11/ particles .cm/sup -2/ .sec/sup -1/). In the energy range 4--40 MeV the emf was practically independent of the ..cap alpha..-particle energy. The sign of the emf was reversed when samples with a ground front surface were irradiated. Measurements of the photoelectromagnetic and Hall effects in the ..cap alpha..-particle-irradiated samples showed that a p-n junction was produced by these particles and its presence should be allowed for in investigations of the radiation-electromagnetic effect. The measured even radiation-electromagnetic emf increased quadratically on increase in the magnetic field. An investigation was made of the barrier radiation-voltaic effect (when the emf was measured between the irradiated and unirradiated surfaces). Special masks were used to produce a set of consecutive p-n junctions in germanium crystals irradiated with ..cap alpha.. particles. A study of the photovoltaic and photoelectromagnetic effects in such samples showed that the method could be used to increase the efficiency of devices utilizing the photoelectromagnetic effect.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. Spectroscopic properties of Fe 2+ ions at tetragonal sites—Crystal field effects and microscopic modeling of spin Hamiltonian parameters for Fe 2+ ( S=2) ions in K 2FeF 4 and K 2ZnF 4

    NASA Astrophysics Data System (ADS)

    Rudowicz, C.; Piwowarska, D.

    2011-11-01

    Magnetic and spectroscopic properties of the planar antiferromagnet K 2FeF 4 are determined by the Fe 2+ ions at tetragonal sites. The two-dimensional easy-plane anisotropy exhibited by K 2FeF 4 is due to the zero field splitting (ZFS) terms arising from the orbital singlet ground state of Fe 2+ ions with the spin S=2. To provide insight into the single-ion magnetic anisotropy of K 2FeF 4, the crystal field theory and the microscopic spin Hamiltonian (MSH) approach based on the tensor method is adopted. Survey of available experimental data on the crystal field energy levels and free-ion parameters for Fe 2+ ions in K 2FeF 4 and related compounds is carried out to provide input for microscopic modeling of the ZFS parameters and the Zeeman electronic ones. The ZFS parameters are expressed in the extended Stevens notation and include contributions up to the fourth-order using as perturbation the spin-orbit and electronic spin-spin couplings within the tetragonal crystal field states of the ground 5D multiplet. Modeling of the ZFS parameters and the Zeeman electronic ones is carried out. Variation of these parameters is studied taking into account reasonable ranges of the microscopic ones, i.e. the spin-orbit and spin-spin coupling constants, and the energy level splittings, suitable for Fe 2+ ions in K 2FeF 4 and Fe 2+:K 2ZnF 4. Conversions between the ZFS parameters in the extended Stevens notation and the conventional ones are considered to enable comparison with the data of others. Comparative analysis of the MSH formulas derived earlier and our more complete ones indicates the importance of terms omitted earlier as well as the fourth-order ZFS parameters and the spin-spin coupling related contributions. The results may be useful also for Fe 2+ ions at axial symmetry sites in related systems, i.e. Fe:K 2MnF 4, Rb 2Co 1-xFe xF 4, Fe 2+:Rb 2CrCl 4, and Fe 2+:Rb 2ZnCl 4.

  4. An optical analog of the Borrmann effect in photonic crystals

    SciTech Connect

    Bogdanova, M. V. Lozovik, Yu. E.; Eiderman, S. L.

    2010-04-15

    Numerical simulation using the layered Korringa-Kohn-Rostoker (LKKR) method is applied to calculate the reflection and absorption spectra of an s-polarized electromagnetic wave incident on a faced-centered cubic photonic crystal (PC) with opal structure whose sites are occupied by two-layer metal-dielectric spheres. The reflection and absorption coefficients of the PC are analyzed as a function of the angle of incidence of the electromagnetic wave on the crystal surface. A range of wavelengths {lambda} and angles of inclination {theta} to the normal is found in which the absorption experiences a sharp change under small variations of the above parameters. The appearance of peaks in the absorption spectrum of the PC is analyzed, and the spectrum is compared with the behavior of the reduced density of states. By the finite difference time domain (FDTD) method applied to the Maxwell equations, the spatial distribution of the energy density of electromagnetic field inside each of five layers of the PC is obtained at angles of incidence of 23{sup o} and 30{sup o} for a wave-length of 455 nm. It is demonstrated that the sharp maxima of the density of electromagnetic-field energy that are localized on the surfaces of absorbing metal spheres correspond to the absorption maximum. At the same time, at the absorption minimum, the maxima of the field energy density in each of the five layers are localized mainly between the lattice sites of the PC. An analogy between this phenomenon and the Borrmann effect, which is known in X-ray spectroscopy of ordinary crystals, is analyzed.

  5. Electrothermo-optical effect in liquid crystals and its applications

    NASA Astrophysics Data System (ADS)

    Hsiao, Yu-Cheng; Lee, Wei

    2017-02-01

    Electro-optical effects in liquid crystals (LCs) have been widely utilized in many optical components and photonic devices, thanks to the anisotropic media that can be easily manipulated by an electric field to modulate the light. In general, dielectric heating in LC applications is negligible because their orientational dielectric relaxations occur at high frequencies. Here we focus on a dual-frequency LC characterized by its much lower relaxation frequency. The fieldinduced heat strongly affects the LC ordering and optical properties. The electrothermo-optical effect reveals an unusual behavior compared with the well-known electro-optical effect in regular LCs. Based on the electrothermo-optical effect, some applications such as optical modulators or tunable optical shutters are demonstrated.

  6. 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.

  7. Ideal Channel Field Effect Transistors

    DTIC Science & Technology

    2010-03-01

    to bring the electron energy in equilibrium with the local electric field, i.e. the electron energy lags the local electric field. This non...equilibrium effect makes the impact ionization depend mostly on the carrier energy instead of the local electric field. The electron kinetic energy (E - Ec...the peak of the electron energy does not happen at the peak local electric field. Therefore the breakdown voltage was calculated using a non- local

  8. The diagram of phase-field crystal structures: an influence of model parameters in a two-mode approximation

    NASA Astrophysics Data System (ADS)

    Ankudinov, V.; Galenko, P. K.

    2017-04-01

    Effect of phase-field crystal model (PFC-model) parameters on the structure diagram is analyzed. The PFC-model is taken in a two-mode approximation and the construction of structure diagram follows from the free energy minimization and Maxwell thermodynamic rule. The diagram of structure’s coexistence for three dimensional crystal structures [Body-Centered-Cubic (BCC), Face-Centered-Cubic (FCC) and homogeneous structures] are constructed. An influence of the model parameters, including the stability parameters, are discussed. A question about the structure diagram construction using the two-mode PFC-model with the application to real materials is established.

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

    NASA Astrophysics Data System (ADS)

    Sajadi, Mohsen; Wolf, Martin; Kampfrath, Tobias

    2014-03-01

    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.

  10. 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.

  11. Enhanced Nonlinear Optical Effect in Hybrid Liquid Crystal Cells Based on Photonic Crystal

    NASA Astrophysics Data System (ADS)

    Bugaychuk, Svitlana; Iljin, Andrey; Lytvynenko, Oleg; Tarakhan, Ludmila; Karachevtseva, Lulmila

    2017-07-01

    Nonlinear-optical response of photorefractive hybrid liquid crystal (LC) cells has been studied by means of dynamic holographic technique in two-wave mixing arrangement. The LC cells include nonuniform silicon substrates comprising a micrometer-range photonic crystal. A thin LC layer is set between silicon substrate and a flat glass substrate covered by a transparent (ITO) electrode. A dynamic diffraction grating was induced in the LC volume by the two-wave mixing of laser beams with simultaneous application of DC electric field to the cell. Theoretical model of Raman-Nath self-diffraction was developed. This model allows for calculation of nonlinear optical characteristics in thin samples on the base of two-wave mixing experimental data, and with taking into account light losses on absorption and/or scattering. The hybrid LC cells demonstrate strong nonlinear optical effect, prospective for many applications in electro-optical microsystems, such as SLMs, as well as in multi-channel systems.

  12. Enhanced Nonlinear Optical Effect in Hybrid Liquid Crystal Cells Based on Photonic Crystal.

    PubMed

    Bugaychuk, Svitlana; Iljin, Andrey; Lytvynenko, Oleg; Tarakhan, Ludmila; Karachevtseva, Lulmila

    2017-12-01

    Nonlinear-optical response of photorefractive hybrid liquid crystal (LC) cells has been studied by means of dynamic holographic technique in two-wave mixing arrangement. The LC cells include nonuniform silicon substrates comprising a micrometer-range photonic crystal. A thin LC layer is set between silicon substrate and a flat glass substrate covered by a transparent (ITO) electrode. A dynamic diffraction grating was induced in the LC volume by the two-wave mixing of laser beams with simultaneous application of DC electric field to the cell. Theoretical model of Raman-Nath self-diffraction was developed. This model allows for calculation of nonlinear optical characteristics in thin samples on the base of two-wave mixing experimental data, and with taking into account light losses on absorption and/or scattering. The hybrid LC cells demonstrate strong nonlinear optical effect, prospective for many applications in electro-optical microsystems, such as SLMs, as well as in multi-channel systems.

  13. Effects of thermal expansion of the crystal lattice on x-ray crystal spectrometers used for fusion research

    NASA Astrophysics Data System (ADS)

    Delgado-Aparicio, L.; Bitter, M.; Podpaly, Y.; Rice, J.; Burke, W.; Sanchez del Rio, M.; Beiersdorfer, P.; Bell, R.; Feder, R.; Gao, C.; Hill, K.; Johnson, D.; Lee, S. G.; Marmar, E.; Pablant, N.; Reinke, M. L.; Scott, S.; Wilson, R.

    2013-12-01

    X-ray imaging crystal spectrometers with high spectral and spatial resolution are currently being used on magnetically confined fusion devices to infer the time history profiles of ion and electron temperatures as well as plasma flow velocities. The absolute measurement of flow velocities is important for optimizing various discharge scenarios and evaluating the radial electric field in tokamak and stellarator plasmas. Recent studies indicate that the crystal temperature must be kept constant to within a fraction of a degree to avoid changes of the interplanar 2d-spacing by thermal expansion that cause changes in the Bragg angle, which could be misinterpreted as Doppler shifts. For the instrumental parameters of the x-ray crystal spectrometer on Alcator C-Mod, where those thermal effects were investigated, a change of the crystal temperature by 1 °C causes a change of the lattice spacing of the order of Δd = 1 × 10-5 Å introducing a fictitious velocity drift of the order of ˜3 km s-1. This effect must be considered for x-ray imaging crystals spectrometers installed on LHD, KSTAR, EAST, J-TEXT, NSTX and, in the future, W7-X and ITER.

  14. Crystal Field Fluctuations in a Frustrated Pyrochlore Antiferromagnet Tb2Ti2O7.

    NASA Astrophysics Data System (ADS)

    Molavian, Hamid R.; Gingras, Michel J. P.

    2006-03-01

    The antiferromagnetic pyrochlore Tb2Ti2O7 presents a challenging puzzle to experimentalists and theorists studying frustrated magnets. Results from muon spin resonance and neutron scattering experiments for Tb2Ti2O7 reveal a paramagnetic structure down to 50 mK despite an antiferromagnetic Curie-Weiss temperature, θCW=-20 K. Crystal field calculations show that the Tb^3+ ion in Tb2Ti2O7 is a ground state doublet with local <111 > anisotropy and is separated from the first excited doublet state by a gap of 20K. We apply the Rayleigh-Schrodinger method to map the four states problem with exchange and dipole-dipole interactions onto an effective Hamiltonian with two states per ion. We give some properties of this effective Hamiltonian and discuss the possible classical and quantum phases of Tb2Ti2O7.

  15. Electronic electrooptic effects in ferroelectric liquid crystals

    NASA Astrophysics Data System (ADS)

    Rickard, Malcolm J.

    2005-11-01

    There are a variety of potential applications in telecommunications and data processing for high-speed second-order nonlinear electronic electro-optic (EEO) switches in chip-based electronics. In these applications the ability to process optical materials and to integrate the electro-optical and electronic components are key issues that have led to the interest in and development of organic-based electro-optical materials. Ferroelectric liquid crystals (FLCs) have potential because they are intrinsically polar by symmetry, a result of their tilted chiral smectic structure, which puts chiral molecules in a monoclinic environment. The directed design of FLCs for second order NLO and EEO applications has evolved a systematic increase in their performance in recent years with electrooptic coefficients, r ˜ 3 pm/V, demonstrated in EEO devices and d ˜ 20 pm/V in NLO applications. The integration of FLCs with silicon-based electronics is a proven commercial technology, but to apply FLCs for EEO it is clear that LC materials with larger second-order nonlinear coefficients (susceptibilities) must be developed. In this dissertation EEO characteristics of FLCs are explored. Including bent-core molecules and materials for potential telecommunication use, probing the modulation of the refractive index for lambda = 1310 nm light induced by applied radio frequency (RF) electric field.

  16. 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

  17. 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

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

    PubMed

    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.

  19. 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.

  20. Phase field modelling of strain induced crystal growth in an elastic matrix.

    PubMed

    Laghmach, Rabia; Candau, Nicolas; Chazeau, Laurent; Munch, Etienne; Biben, Thierry

    2015-06-28

    When a crystal phase grows in an amorphous matrix, such as a crystallisable elastomer, containing cross-links and/or entanglements, these "topological constraints" need to be pushed away from the crystal phase to allow further crystallization. The accumulation of these topological constraints in the vicinity of the crystal interface may store elastic energy and affect the phase transition. To evaluate the consequences of such mechanism, we introduce a phase field model based on the Flory theory of entropic elasticity. We show that the growth process is indeed sensibly affected, in particular, an exponential increase of the surface energy with the displacement of the interface is induced. This explains the formation of stable nano-crystallites as it is observed in the Strain Induced Crystallization (SIC) of natural rubber. Although simple, the model developed here is able to account for many interesting features of SIC, for instance, the crystallite shapes and their sizes which depend on the applied deformation.

  1. 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

  2. Temperature evolution of central peaks and effect of electric field in relaxor ferroelectric 0.83Pb(Mg1/3Nb2/3)O3–0.17PbTiO3 single crystals

    NASA Astrophysics Data System (ADS)

    Helal, Md Al; Aftabuzzaman, Md; Svirskas, Sarunas; Banys, Juras; Kojima, Seiji

    2017-10-01

    Relaxor ferroelectric 0.83Pb(Mg1/3Nb2/3)O3–0.17PbTiO3 (PMN–17PT) single crystals were studied by Brillouin scattering to investigate the role of polar nanoregions (PNRs) with intermediate random fields (RFs). Upon cooling, the central peak began to appear at the Burns temperature (T B) of ∼600 K, indicating the existence of polarization relaxations induced by PNRs. The fitting performed using the equation of stretched slowing down at the inverse relaxation time revealed that the slowing down of PNRs was suppressed in PMN–17PT compared with that in PMN–56PT owing to the increase in the strength of RFs. At room temperature, the splitting of the longitudinal acoustic mode at 1.6 kV/cm was observed owing to the coexistence of the macrodomain formed by the external electric field along the [100] axis and the nanodomains formed by RFs. The appearance of the transverse acoustic mode at 3.2 kV/cm indicates the field-induced rhombohedral-to-tetragonal phase.

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

    NASA Technical Reports Server (NTRS)

    Arakere, N. K.; Swanson, G.

    2002-01-01

    High cycle fatigue (HCF) induced failures in aircraft gas turbine and rocket engine turbopump blades is a pervasive problem. Single crystal nickel turbine blades are being utilized in rocket engine turbopumps and jet engines throughout industry because of their superior creep, stress rupture, melt resistance, and thermomechanical fatigue capabilities over polycrystalline alloys. Currently the most widely used single crystal turbine blade superalloys are PWA 1480/1493, PWA 1484, RENE' N-5 and CMSX-4. These alloys play an important role in commercial, military and space propulsion systems. Single crystal materials have highly orthotropic properties making the position of the crystal lattice relative to the part geometry a significant factor in the overall analysis. The failure modes of single crystal turbine blades are complicated to predict due to the material orthotropy and variations in crystal orientations. Fatigue life estimation of single crystal turbine blades represents an important aspect of durability assessment. It is therefore of practical interest to develop effective fatigue failure criteria for single crystal nickel alloys and to investigate the effects of variation of primary and secondary crystal orientation on fatigue life. A fatigue failure criterion based on the maximum shear stress amplitude /Delta(sub tau)(sub max))] on the 24 octahedral and 6 cube slip systems, is presented for single crystal nickel superalloys (FCC crystal). This criterion reduces the scatter in uniaxial LCF test data considerably for PWA 1493 at 1200 F in air. Additionally, single crystal turbine blades used in the alternate advanced high-pressure fuel turbopump (AHPFTP/AT) are modeled using a large-scale three-dimensional finite element model. This finite element model is capable of accounting for material orthotrophy and variation in primary and secondary crystal orientation. Effects of variation in crystal orientation on blade stress response are studied based on 297

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

    NASA Technical Reports Server (NTRS)

    Arakere, N. K.; Swanson, G.

    2002-01-01

    High cycle fatigue (HCF) induced failures in aircraft gas turbine and rocket engine turbopump blades is a pervasive problem. Single crystal nickel turbine blades are being utilized in rocket engine turbopumps and jet engines throughout industry because of their superior creep, stress rupture, melt resistance, and thermomechanical fatigue capabilities over polycrystalline alloys. Currently the most widely used single crystal turbine blade superalloys are PWA 1480/1493, PWA 1484, RENE' N-5 and CMSX-4. These alloys play an important role in commercial, military and space propulsion systems. Single crystal materials have highly orthotropic properties making the position of the crystal lattice relative to the part geometry a significant factor in the overall analysis. The failure modes of single crystal turbine blades are complicated to predict due to the material orthotropy and variations in crystal orientations. Fatigue life estimation of single crystal turbine blades represents an important aspect of durability assessment. It is therefore of practical interest to develop effective fatigue failure criteria for single crystal nickel alloys and to investigate the effects of variation of primary and secondary crystal orientation on fatigue life. A fatigue failure criterion based on the maximum shear stress amplitude /Delta(sub tau)(sub max))] on the 24 octahedral and 6 cube slip systems, is presented for single crystal nickel superalloys (FCC crystal). This criterion reduces the scatter in uniaxial LCF test data considerably for PWA 1493 at 1200 F in air. Additionally, single crystal turbine blades used in the alternate advanced high-pressure fuel turbopump (AHPFTP/AT) are modeled using a large-scale three-dimensional finite element model. This finite element model is capable of accounting for material orthotrophy and variation in primary and secondary crystal orientation. Effects of variation in crystal orientation on blade stress response are studied based on 297

  5. 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.

  6. The thermal-field emission model for carrier injection characteristics of an organic field effect transistor

    NASA Astrophysics Data System (ADS)

    Kimura, Yasuo; Oba, Tomohisa; Shimakura, Naoko; Niwano, Michio

    2009-02-01

    We have investigated the influence of carrier injection on the characteristics of an organic field effect transistor (OFET) using a rubrene single crystal. The mobility estimated from the transfer characteristic of the OFET depended strongly on the channel length and the thickness of the rubrene single crystal although the mobility is intrinsically independent of the dimensions of an OFET. On the other hand, the temperature dependence of the saturation drain current was in good agreement with the thermal-field emission theory. These suggest that OFETs are controlled not only by the carrier accumulation at the channel but also by the carrier injection.

  7. Crystallization behavior of bisphenol-A polycarbonate: Effects of crystallization time, temperature, and molar mass

    NASA Astrophysics Data System (ADS)

    Sohn, Seungman

    2000-12-01

    Crystallization and multiple melting behavior of bisphenol-A polycarbonate (PC) was investigated using differential scanning calorimetry (DSC) for the monitoring of thermal behavior and atomic force microscopy (AFM) for the morphology study. The exceedingly slow crystallization kinetics of PC and the feasibility of obtaining near monodisperse fractions provide distinct advantages for the elucidation of the effects of crystallization time, temperature, and molar mass on crystallization kinetics. The effects of molar mass on the glass transition temperature (T g) and heat capacity change at Tg, and the amorphous density of PC were investigated. Similar to many semicrystalline polymers, PC exhibits a multiple melting behavior upon heating. While for each PC sample, the coexistence of low and high temperature endothermic regions in the DSC heating traces is explained by the melting of populations of crystals with different stabilities, melting-recrystallization-remelting effects are observed only for the lowest molar mass samples. The effects of crystallization temperature and molar mass distribution on overall crystallization kinetics were studied for some of the fractions, including the commercial PC-28K (Mw = 28,000 g.mol-1 ) sample. Regarding the kinetics of secondary crystallization, particular attention was placed on understanding the effects of molar mass, initial degree of crystallinity prior to the secondary crystallization, and secondary crystallization time and temperature. The secondary crystallization of PC follows the same laws discovered in previous studies of PEEK, PET, it-PS and ethylene copolymers, and the results are discussed in the context of a bundle-like secondary crystallization model. During isothermal annealing of semicrystalline PC-28K around the high melting endotherm, a significant increase of melting temperature along with peak broadening with time was observed. Independently, morphological studies using AFM showed that mean lamellar

  8. 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.

  9. 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

  10. 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.

  11. 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.

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

    SciTech Connect

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

    2016-02-15

    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.

  13. 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.

  14. Visualization of acoustic cavitation effects on suspended calcite crystals.

    PubMed

    Wagterveld, R M; Boels, L; Mayer, M J; Witkamp, G J

    2011-01-01

    The acoustic cavitation (42,080 Hz, 7.1 W cm(-2) or 17 W) effects on suspended calcite crystals, sized between 5 and 50 μm, have been visualized for the first time using high speed photography. High speed recordings with a duration of 1 s containing up to 300,000 frames per second, revealed the effect of cluster and streamer cavitation on several calcite crystals. Cavitation clusters, evolved from cavitation inception and collapse, caused attrition, disruption of aggregates and deagglomeration, whereas streamer cavitation was observed to cause deagglomeration only. Cavitation on the surface gave the crystals momentum. However, it is shown that breakage of accelerated crystals by interparticle collisions is unrealistic because of their small sizes and low velocities. Crystals that were accelerated by bubble expansion, subsequently experienced a deceleration much stronger than expected from drag forces, upon bubble collapse. Experiments with pre-dried crystals seemed to support the current theory on bubble nucleation through the presence of pre-existing gas pockets. However, experiments with fully wetted crystals also showed the nucleation of bubbles on the crystal surface. Although microjet impingement on the crystal surface could not be directly visualized with high speed photography, scanning electron microscopy (SEM) analysis of irradiated calcite seeds showed deep circular indentations. It was suggested that these indentations might be caused by shockwave induced jet impingement. Furthermore, the appearance of voluminous fragments with large planes of fracture indicated that acoustic cavitation can also cause the breakage of single crystal structures.

  15. 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.

  16. Effects of Convective Transport of Solute and Impurities on Defect-Causing Kinetics Instabilities in Protein Crystallization

    NASA Technical Reports Server (NTRS)

    Vekilov, Peter G.

    2003-01-01

    Insight into the crystallization processes of biological macromolecules into crystals or aggregates can provide valuable guidelines in many fundamental and applied fields. Such insight will prompt new means to regulate protein phase transitions in-vivo, e.g., polymerization of hemoglobin S in the red cells, crystallization of crystallins in the eye lens, etc. Understanding of protein crystal nucleation will help achieve narrow crystallite size distributions, needed for sustained release of pharmaceutical protein preparations such as insulin or interferon. Traditionally, protein crystallization studies have been related to the pursuit of crystal perfection needed to improve the structure details provided by x-ray, electron or neutron diffraction methods. Crystallization trials for the purposes of structural biology carried out in space have posed an intriguing question related to the inconsistency of the effects of the microgravity growth on the quality of the crystals.

  17. 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.

  18. Large electrocaloric effects in single-crystal ammonium sulfate.

    PubMed

    Crossley, S; Li, W; Moya, X; Mathur, N D

    2016-08-13

    Electrocaloric (EC) effects are typically studied near phase transitions in ceramic and polymer materials. Here, we investigate EC effects in an inorganic salt, namely ammonium sulfate (NH4)2SO4, with an order-disorder transition whose onset occurs at 223 K on cooling. For a single crystal thinned to 50 μm, we use a Maxwell relation to find a large isothermal entropy change of 30 J K(-1) kg(-1) in response to a field change of 400 kV cm(-1) The Clausius-Clapeyron equation implies a corresponding adiabatic temperature change of 4.5 K.This article is part of the themed issue 'Taking the temperature of phase transitions in cool materials'. © 2016 The Author(s).

  19. Effect of doping on the mechanical properties of nonlinear GaSe crystals

    NASA Astrophysics Data System (ADS)

    Potekaev, A. I.; Andreev, Yu. M.; Kokh, K. A.; Svetlichnyi, V. A.

    2016-10-01

    The effect of doping with sulfur, indium, tellurium, aluminum, erbium, and silver on the mechanical properties of nonlinear GaSe crystals grown by a modified Bridgman method with the rotation of a thermal field is studied. GaSe:S crystals have the best optical properties and GaSe:Al crystals have the highest microhardness. Under identical experimental conditions, we revealed an additive influence of double doping on the properties of GaSe: the crystals doped with sulfur and aluminum demonstrate the maximum efficiency of laser radiation frequency conversion and the maximum hardness. The increased hardness is supported by the appearing ability of the crystals to undergo cracking under the action of high-intensity radiation, which is characteristic of glass.

  20. NonLinear Effects in Photorefractive Crystals

    DTIC Science & Technology

    1988-01-01

    Polarisation of light is easily demonstrable and it appealed greatly to the most eminent popularizer of science in the 19th century, Micheal Faraday (1791...1867). In the 1840’s he conducted a series of experiments investigating the influence of electric and magnetic fields on light. He discovered the Faraday ...gyrator) and the devices invariably depend on a gyrotropic or Faraday rotation effect. NR phase shifts of up to 3600 are available 48 CHAPTER 3

  1. An investigation on the effect of surface roughness of crystallization plate on protein crystallization

    NASA Astrophysics Data System (ADS)

    Hou, Hai; Wang, Bo; Hu, Shan-Yang; Wang, Meng-Ying; Feng, Jinyu; Xie, Peng-Peng; Yin, Da-Chuan

    2017-06-01

    Surface treatment by oxidizing the crystallization plates can significantly promote protein crystallization and requires no change to routine screening protocols; therefore, it is potentially useful for practical protein crystallization screening. However, experiments have shown that the amount of oxidants and the treatment process need to be optimized to achieve effective results. Searching for the suitable amount of oxidants, temperature and processing time for surface treatment of the plate will increase the workload and decrease the efficiency of the screening process. To solve this problem, a series of trials to determine suitable surface treatment conditions were conducted. Based on these experiments, not only was the most suitable processing condition for the optimal protein crystallization screening hits discovered but also the relationship between the treatment process and the protein crystallization screening hits was explored. With these results, the surface treatment of protein crystallization plates became easier and more effective, allowing the oxidizing surface treatment method to be applied on plates for use in routine protein crystallization screening.

  2. Estimated effects of silicone glue on protein crystal growth

    NASA Astrophysics Data System (ADS)

    Maruyama, Mihoko; Shimizu, Noriko; Sugiyama, Shigeru; Takahashi, Yoshinori; Adachi, Hiroaki; Takano, Kazufumi; Murakami, Satoshi; Inoue, Tsuyoshi; Matsumura, Hiroyoshi; Mori, Yusuke

    2010-09-01

    Silicone glue (modified silicone polymer) is widely used for both experiments involving inorganic crystal growth and those involving organic materials like proteins. This material is very useful for building a hand-made experiment setup or for fixing protein crystals to specific locations. Though silicone glue is regarded as harmful to proteins, no systematic verification was performed to investigate its impurity effects on protein crystal growth. We focused on and estimated the impurity effects of silicone glue on protein crystal growth. Hen egg white lysozyme (HEWL) was used as a model protein. Surface morphology and step velocity of tetragonal lysozyme crystals in the presence and absence of silicone glue were investigated by laser confocal interference contrast microscopy (LCM-DIM). The surface morphology of a tetragonal lysozyme crystal in the presence of silicone glue corresponded to that grown in a lysozyme solution without silicone glue. The dependency of step velocities on supersaturation in the presence of silicone glue also exhibited the same tendency as that of a glue-free system. These two phenomena indicate that the silicone glue did not act as an impurity on lysozyme crystals. Therefore, we conclude that silicone glue is an effective material for various unique experiments involving protein crystals or for applying new methods to create large, high-quality protein crystals.

  3. Observation of weak antilocalization effect in high-quality ScNiBi single crystal

    NASA Astrophysics Data System (ADS)

    Deng, L.; Liu, Z. H.; Ma, X. Q.; Hou, Z. P.; Liu, E. K.; Xi, X. K.; Wang, W. H.; Wu, G. H.; Zhang, X. X.

    2017-03-01

    In this paper, we have successfully grown the high-quality ScNiBi single crystals by a Bi flux method and investigated their electronic-transport properties. It was found that the ScNiBi single crystal is a gapless semiconductor with positive linear magnetoresistance (MR). Moreover, the field-dependent MR in the low-field region has demonstrated obvious weak antilocalization (WAL) effect below 50 K. The extremely large prefactor α and angle-dependent magnetoconductance ΔGxx suggest that the WAL effect originates from the contribution of a strong bulk spin-orbital coupling.

  4. 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.

  5. Laboratory study of electrical discharges on vapor grown ice crystals subjected to strong electric fields

    NASA Astrophysics Data System (ADS)

    Petersen, Danyal A.

    Thundercloud electric-field observations have consistently yielded peak values that are an order of magnitude weaker than the dielectric strength of air at relevant altitudes. Various discharge processes have been proposed to explain how lightning can be initiated in such weak electric fields, including hydrometeor-initiated positive streamers and cosmic ray-initiated runaway breakdown. The historically favored positive streamer discharge process is problematic because it requires electric fields two to three times larger than the largest typically observed. The more recently favored runaway breakdown discharge process appear to be viable in electric fields comparable with those typically observed, but it is not clear how it may lead to creation of a hot lightning leader channel. It has been hypothesized previously by the author that a combination of these two discharge processes offers a more plausible solution, with each process solving a piece of the puzzle.162197 One of the important elements of the positive streamer system discharge process is the generation of initial "seed" positive streamers at the extremities of hydrometeors such as raindrops and ice crystals. The focus of this dissertation is an experimental study designed to investigate the generation of positive streamers and other corona discharges at the extremities of vapor-grown ice crystals. Of primary interest is the determination of the minimum electric field required to generate a positive streamer as a function of ambient air density, ice crystal length, and ice crystal tip geometry. The results of this study show a definite relationship between the minimum electric field required to generate a positive streamer, ambient air density, and ice crystal length. These results are useful insofar as they identify the electric fields required for seed positive streamer production from vapor-grown ice crystals such as are known to exist in the colder regions of thunderclouds. Another interesting result

  6. Measurement of nonlinear coefficients of crystals at terahertz frequencies via High Field THzat the FELIX FEL

    DTIC Science & Technology

    2017-04-03

    plane. As the sample moves along the z-axis, the intensity of the incident radiation increases in a known fashion, and, at high intensities , a...AFRL-AFOSR-UK-TR-2017-0027 Measurement of nonlinear coefficients of crystals at terahertz frequencies via High - Field THz at the FELIX FEL Mira...coefficients of crystals at terahertz frequencies via High - Field THz at the FELIX FEL 5a.  CONTRACT NUMBER FA9550-15-C-0068 5b.  GRANT NUMBER 5c.  PROGRAM

  7. Ferromagnetic resonance and high field ESR in a TDAE-C60 single crystal

    NASA Astrophysics Data System (ADS)

    Arčon, D.; Cevc, P.; Omerzu, A.; Blinc, R.; Mehring, M.; Knorr, S.; Grupp, A.; Barra, A.-L.; Chouteau, G.

    1998-08-01

    Frequency variable ESR measurements have been performed on well annealed TDAE-C60 single crystals between 40 MHz and 245 GHz. A non-linear variation of the electron resonance frequency with the magnetic field has been observed below TC=16 K in the radio-frequency region. The observed ferromagnetic resonance data are characteristic for a three-dimensional Heisenberg ferromagnet with a small positive uniaxial anisotropy field. The easy axis coincides with the crystal c-direction which is the direction of closest approach of the C60- ions.

  8. 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.

  9. 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.

  10. Nonlinear Optical Effects in Liquid Crystals.

    DTIC Science & Technology

    1980-12-10

    nematic MBBA is studied. The experiments involve the detection of optical radiation at second- harmonic frequency when aligned thin film liquid crystals...studied. The experiments involve the detection of optical radiation at second-harmonic frequency when aligned thin film liquid crystals sam- ples are...used in our experiments. The shematic circuit diagram is shown in Fig. 7. A resistance sensing bridge network is used with a thermistor sensor and a

  11. CRYSTAL simulation code and modeling of coherent effects in a bent crystal at the LHC

    NASA Astrophysics Data System (ADS)

    Sytov, A. I.; Tikhomirov, V. V.

    2015-07-01

    A CRYSTAL simulation code for particle tracking in crystals is introduced. Its essence consists in both adequate and fast sampling of proton trajectories in crystals which is crucial for both correct description of experiments and quantitative prediction of new effects. The H8 single-pass experiment at the CERN SPS as well as 7 TeV proton deflection by a bent crystal at the LHC are simulated. We predict the existence of dechanneling peaks corresponding to the planar channeling oscillations as well as describe the possibility of their observation at high energies, specifically at the LHC energy. An effect of excess over the amorphous level of ionization losses in the channeling mode was also found at 7 TeV.

  12. 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.

  13. 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).

  14. Segmentation Effect on Inhomogeneity of [110]-Single Crystal Deformation

    NASA Astrophysics Data System (ADS)

    Lychagin, D. V.; Nesterenko, E. A. Alfyorova V. P.

    2016-08-01

    This work presents a detailed analysis of segmentation process in FCC single crystals with compression axis [110] and side faces( ̅110) and (001) considering effect of octahedral shear crystal-geometry and basic stress concentrators. Sequence of meso-band systems formation on side faces is determined. Macro-segmentation patterns are specified, that are common to the FCC single crystals under investigation. It is proved that rectangular shape of highly compressed crystals, elongated in direction of operating planes, is conditioned by orientation symmetry of compression axis, single crystal side faces and shears directions, which are characteristic for the given orientation. The specified patterns are characteristic only for the samples with initial height-to-width ratio equal to 2. When varying sample height relative to the initial one, segmentation patterns will also vary due to crystal geometry variations.

  15. iPP Crystallization: Micro and Nano Fillers Effects

    NASA Astrophysics Data System (ADS)

    Gioffredi, Emilia; Cassulo, Gabriele; Frache, Alberto; Luca Maffettone, Pier

    2010-06-01

    Since the properties of semicrystalline polymers depend on the morphology, studies on effect of fillers on the composites crystallization are of great interest. In this work, a micrometric talc and a nanoclay are dispersed in a polypropylene matrix and the influence of two different fillers and temperature on the polymer crystallization behavior in quiescent conditions is assessed by means of differential scanning calorimetry (DSC) and rheological characterization through linear viscoelasticity (SAOS) [1]. The DSC tests lead to the half crystallization time, depending on overall crystallization rate (i.e. nucleation and growth) whereas by rheological measurement one can deduce also the induction time, depending only on nucleation [2].

  16. Effect of microgravity on crystallization of ZBLAN fibers

    NASA Technical Reports Server (NTRS)

    Tucker, Dennis S.

    1994-01-01

    ZrF4-BaF2-LaF3-AIF3-NaF (ZBLAN) optical fiber was flown on board the NASA's KC-135 microgravity aircraft to determine the effects of microgravity on crystal growth in this material. Fiber samples were placed in evacuated quartz ampoules and heated to the crystallization temperature in 0g, 1g, and 2g. The 1g and 2g samples were observed to slump and crystallize. The 0g samples showed no evidence of crystallization.

  17. 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.

  18. Striations in CZ silicon crystals grown under various axial magnetic field strengths

    NASA Astrophysics Data System (ADS)

    Kim, K. M.; Smetana, P.

    1985-10-01

    Inhibition of fluid flow instabilities in the melt by the axial magnetic field in Czochralski silicon crystal growth (AMCZ) is investigated precisely by a high-sensitivity striation etch in conjunction with temperature measurements. The magnetic field strength (B) was varied up to 4.0 kG, incremented mostly in 0.5-kG/2.5-cm crystal length. The convection flow was substantially suppressed at B greater than or equal to 1.0 kG. A low oxygen level of 2-3 ppm and a high resistivity of 400 ohm-cm is achieved in the AMCZ silicon crystals at B greater than or equal to 1.0 kG. Random striations at B = O, characteristic of turbulent convection, assumed progressively a periodicity, indicative of oscillatory convection at B from 0.35-4.0 kG. The striation contrast or 'intensity' decreased steadily with the increase in B. At B = 4 kG, most of the crystal was free of striations, although some weak, localized periodic striations persisted near the crystal periphery. Spreading-resistance measurement shows, however, a uniform dopant distribution in all crystal sections grown at B from 0.35-4.0 kG within a few percent.

  19. Memory effect in composites of liquid crystal and silica aerosil

    NASA Astrophysics Data System (ADS)

    Relaix, Sabrina; Leheny, Robert L.; Reven, Linda; Sutton, Mark

    2011-12-01

    Aerosil silica nanoparticles dispersed in a liquid crystal (LC) possess the interesting property of keeping memory of an electric- or magnetic-field-induced orientation. Two types of memory have been identified: thermally erasable memory arising from the pinning of defect lines versus a “permanent” memory where the orientation persists even after thermal cycling the samples up to the isotropic phase. To address the source of the latter type of memory, solid-state nuclear magnetic resonance spectroscopy and conventional x-ray diffraction (XRD) were first combined to characterize the LC orientational order as a function of multiple in-field temperature cycles. Microbeam XRD was then performed on aligned gels of different concentrations to gain knowledge of the structural properties at the origin of the memory effect. No detectable anisotropy of the gel or significant breaking of silica strands with heating ruled out the formation of an anisotropic silica network as the source of the permanent memory as previously proposed. Instead, support for a role of the surface memory effect, well known for planar substrates, in stabilizing the permanent memory was deduced from “training” of the composites, that is, optimizing the orientational order through the thermal in-field cycling. The ability to train the composites is inversely proportional to the strength of the random-field disorder. The portion of thermally erasable memory also decreases as the silica density increases. We propose that the permanent memory originates from the surface memory effect operating at points of intersection in the silica network. These areas, where the LC is strongly confined with conflicted surface interactions, are trained to achieve an optimized orientation and subsequently act as sites from which the LC orientational order regrows after zero-field thermal cycling up to the isotropic phase.

  20. Memory effect in composites of liquid crystal and silica aerosil

    SciTech Connect

    Relaix, Sabrina; Leheny, Robert L.; Reven, Linda; Sutton, Mark

    2012-02-07

    Aerosil silica nanoparticles dispersed in a liquid crystal (LC) possess the interesting property of keeping memory of an electric- or magnetic-field-induced orientation. Two types of memory have been identified: thermally erasable memory arising from the pinning of defect lines versus a 'permanent' memory where the orientation persists even after thermal cycling the samples up to the isotropic phase. To address the source of the latter type of memory, solid-state nuclear magnetic resonance spectroscopy and conventional x-ray diffraction (XRD) were first combined to characterize the LC orientational order as a function of multiple in-field temperature cycles. Microbeam XRD was then performed on aligned gels of different concentrations to gain knowledge of the structural properties at the origin of the memory effect. No detectable anisotropy of the gel or significant breaking of silica strands with heating ruled out the formation of an anisotropic silica network as the source of the permanent memory as previously proposed. Instead, support for a role of the surface memory effect, well known for planar substrates, in stabilizing the permanent memory was deduced from 'training' of the composites, that is, optimizing the orientational order through the thermal in-field cycling. The ability to train the composites is inversely proportional to the strength of the random-field disorder. The portion of thermally erasable memory also decreases as the silica density increases. We propose that the permanent memory originates from the surface memory effect operating at points of intersection in the silica network. These areas, where the LC is strongly confined with conflicted surface interactions, are trained to achieve an optimized orientation and subsequently act as sites from which the LC orientational order regrows after zero-field thermal cycling up to the isotropic phase.

  1. Effect of medicinal plants on the crystallization of cholesterol

    NASA Astrophysics Data System (ADS)

    Saraswathi, N. T.; Gnanam, F. D.

    1997-08-01

    One of the least desirable calcifications in the human body is the mineral deposition in atherosclerosis plaques. These plaques principally consist of lipids such as cholesterol, cholesteryl esters, phospholipids and triglycerides. Chemical analysis of advanced plaques have shown the presence of considerable amounts of free cholesterol identified as cholesterol monohydrate crystals. Cholesterol has been crystallized in vitro. The extracts of some of the Indian medicinal plants detailed below were used as additives to study their effect on the crystallization behaviour of cholesterol. It has been found that many of the herbs have inhibitory effect on the crystallization such as nucleation, crystal size and habit modification. The inhibitory effect of the plants are graded as Commiphora mughul > Aegle marmeleos > Cynoden dactylon > Musa paradisiaca > Polygala javana > Alphinia officinarum > Solanum trilobatum > Enicostemma lyssopifolium.

  2. Local strain fields in two-dimensional colloidal crystals with bond strength disorder

    NASA Astrophysics Data System (ADS)

    Gratale, Matthew; Xu, Ye; Still, Tim; Yodh, Arjun

    2013-03-01

    We study the local strain fields of two-dimensional colloidal crystals consisting of random distributions of hard polystyrene particles and soft microgel particles. Using standard video microscopy and particle tracking techniques, we analyze the variations of local configurations around each particle due to thermal motion. With this information we derive the best-fit affine strain tensor and the non-affinity for each particle in the sample, which allow us to study the mechanical properties of our colloidal crystals. We than observe the changes in these properties as we transition from a predominately hard-sphere crystal to predominately soft-sphere crystal, that is we explore how the mechanical properties are affected by replacing hard inter-particle bonds with soft inter-particle bonds. We gratefully acknowledge financial support from the National Science Foundation through DMR12-05463, the PENN MRSEC DMR11-20901, and NASA NNX08AO0G.

  3. 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.

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

    PubMed

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

    2016-04-01

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

  5. 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

  6. Convective flow effects on protein crystal growth

    NASA Technical Reports Server (NTRS)

    Rosenberger, Franz; Monaco, Lisa A.

    1994-01-01

    The long-term stability of the interferometric setup for the monitoring of protein morphologies has been improved. Growth or dissolution of a crystal on a 100 A scale can now be clearly distinguished from dimensional changes occurring within the optical path of the interferometer. This capability of simultaneously monitoring the local interfacial displacement at several widely-spaced positions on the crystal surface with high local depth resolution, has already yielded novel results. We found with lysozyme that (1) the normal growth rate is oscillatory, and (2) the mean growth step density is greater at the periphery of a facet than in its center. The repartitioning of Na(+) and Cl(-) ions between lysozyme solutions and crystals was studied for a wide range of crystallization conditions. A nucleation-growth-repartitioning model was developed to interpret the large body of data in a unified way. The results strongly suggests that (1) the ion to lysozyme ratio in the crystal depends mostly on kinetic rather than crystallographic parameters, and (2) lysozyme crystals possess a salt-rich core with a diameter on the order of 10 microns. The computational model for diffusive-convective transport in protein crystallization (see the First Report) has been applied to a realistic growth cell geometry, taking into account the findings of the above repartitioning studies. These results show that some elements of a moving boundary problem must be incorporated into the model in order to obtain a more realistic description. Our experimental setup for light scattering investigations of aggregation and nucleation in protein solutions has been extensively tested. Scattering intensity measurements with a true Rayleigh scatterer produced systematically increased forward scattering, indicating problems with glare. These have been resolved. Preliminary measurements with supersaturated lysozyme solutions revealed that the scatterers grow with time. Work has begun on a computer program

  7. 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.

  8. 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.

  9. Thermoelectric Magnetohydrodynamic Flow During Crystal Growth with a Moderate or Weak Magnetic Field

    NASA Technical Reports Server (NTRS)

    Khine, Y. Y.; Walker, John S.; Szofran, Frank R.; Rose, M. Franklin (Technical Monitor)

    2000-01-01

    This paper treats a steady, axisymmetric melt motion in a cylindrical ampoule with a uniform, axial magnetic field and with an electric current due to a radial temperature variation along the crystal-melt interface, where the values of the absolute thermoelectric power for the crystal and melt are different. The radial component of the thermoelectric current in the melt produces an azimuthal body force, and the axial variation of the centrifugal force due to the azimuthal motion drives a meridional circulation with radial and axial velocities. For moderate magnetic field strengths, the azimuthal velocity and magnetic field produce a radial induced electric field which partially cancels the Seebeck electromotive force in the melt, so that the thermoelectric current and the melt motion are coupled. For weak magnetic fields, the thermoelectric current is decoupled from the melt motion, which is an ordinary hydrodynamic flow driven by a known azimuthal body force. The results show how the flow varies with the strength of the magnetic field and with the magnitude of the temperature variation along the crystal-melt interface. They also define the parameter ranges for which the simpler weak-field decoupled analysis gives accurate predictions.

  10. Surface effects on the crystallization of ritonavir glass.

    PubMed

    Kawakami, Kohsaku

    2015-01-01

    In our previous study, initiation time of crystallization was shown to be basically expressed as a function of only the reduced temperature, which was a ratio of storage and glass transition temperatures. This conclusion was obtained using quenched glasses with minimized surface area stored under a dried atmosphere. In this study, the surface effects on the crystallization were investigated using freeze-dried ritonavir (RTV) glass. Although quenched RTV glass exhibited exceptionally long initiation time, the initiation was accelerated by using the freeze-dried glasses. Storage of the samples under humid conditions further accelerated the crystallization. These surface effects eliminated the energetic barrier for nucleation, and the RTV glass exhibited universal initiation time. In contrast, subsequent crystal growth was slower for the freeze-dried glasses relative to the quenched one, presumably because of less condensed and porous structures that would suppress molecular cooperativity. Storage under a humid atmosphere also appeared to inhibit the crystal growth, presumably because of disruption of the molecular network by water. These findings support the existence of the universal initiation time for crystallization and indicated the importance of surface effects in crystallization behavior. Also, the suppression of crystal growth because of the void structure and incorporation of water molecules were indicated. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

  11. Solid Separation from a Mixed Suspension through Electric-Field-Enhanced Crystallization.

    PubMed

    Li, Wei W; Radacsi, Norbert; Kramer, Herman J M; van der Heijden, Antoine E D M; Ter Horst, Joop H

    2016-12-23

    When applied to a pure component suspension in an apolar solvent, a strong inhomogeneous electric field induces particle movement, and the particles are collected at the surface of one of the two electrodes. This new phenomenon was used to separately isolate two organic crystalline compounds, phenazine and caffeine, from their suspension in 1,4-dioxane. First, crystals of both compounds were collected at different electrodes under the influence of an electric field. Subsequent cooling crystallization enabled the immobilization and growth of the particles on the electrodes, which were separately collected after the experiment with purities greater than 91 %. This method can be further developed into a technique for crystal separation and recovery in complex multicomponent suspensions of industrial processes. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. 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.

  13. 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.

  14. Simulations of a protein crystal with a high resolution X-ray structure: Evaluation of force fields and water models

    PubMed Central

    Cerutti, David S.; Freddolino, Peter L.; Duke, Robert E.; Case, David A.

    2010-01-01

    We use classical molecular dynamics and sixteen 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 (0.96Å) and the simplicity of the crystallization solution (nearly pure water) makes 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 100ns of production dynamics, permitting some long-timescale 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. PMID:20860388

  15. 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.

  16. Convective flow effects on protein crystal growth

    NASA Technical Reports Server (NTRS)

    Rosenberger, Franz

    1995-01-01

    During the fifth semi-annual period under this grant we have pursued the following activities: (1) Characterization of the purity and further purification of lysozyme solutions, these efforts are summarized in Section 2; (2) Crystal growth morphology and kinetics studies with tetragonal lysozyme, our observation on the dependence of lysozyme growth kinetics on step sources and impurities has been summarized in a manuscript which was accepted for publication in the Journal of Crystal Growth; (3) Numerical modelling of the interaction between bulk transport and interface kinetics, for a detailed summary of this work see the manuscript which was accepted for publication in the Journal of Crystal Growth; and (4) Light scattering studies, this work has been summarized in a manuscript that has been submitted for publication to the Journal of Chemical Physics.

  17. Convective flow effects on protein crystal growth

    NASA Astrophysics Data System (ADS)

    Rosenberger, Franz

    1995-08-01

    During the fifth semi-annual period under this grant we have pursued the following activities: (1) Characterization of the purity and further purification of lysozyme solutions, these efforts are summarized in Section 2; (2) Crystal growth morphology and kinetics studies with tetragonal lysozyme, our observation on the dependence of lysozyme growth kinetics on step sources and impurities has been summarized in a manuscript which was accepted for publication in the Journal of Crystal Growth; (3) Numerical modelling of the interaction between bulk transport and interface kinetics, for a detailed summary of this work see the manuscript which was accepted for publication in the Journal of Crystal Growth; and (4) Light scattering studies, this work has been summarized in a manuscript that has been submitted for publication to the Journal of Chemical Physics.

  18. 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.

  19. 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.

  20. 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)

  1. 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)

  2. 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.

  3. Study of crystal-field splitting in ultrathin CePt5 films by Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Halbig, B.; Bass, U.; Geurts, J.; Zinner, M.; Fauth, K.

    2017-04-01

    The low-temperature electronic properties of rare-earth intermetallics are substantially influenced by the symmetry and magnitude of the crystal electric field. The direct spectroscopic analysis of crystal-field splitting can be challenging, especially in low-dimensional systems, because it requires both high spectral resolution and pronounced sensitivity. We demonstrate the eligibility of electronic Raman spectroscopy for this purpose by the direct determination of the 4 f level splitting in ultrathin ordered CePt5 films down to ≈1.5 nm thickness on Pt(111). Crystal-field excitations of Ce 4 f electrons give rise to Raman peaks at energy losses up to ≈25 meV. Three distinct peaks occur which we attribute to inequivalent Ce sites, located (i) at the interface to the substrate, (ii) next to the Pt-terminated film surface, and (iii) in the CePt5 layers in between. The well-resolved Raman signatures allow us to identify a reduced crystal-field splitting at the interface and an enhancement at the surface, highlighting its strong dependence on the local atomic environment.

  4. 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.

  5. Convective flow effects on protein crystal growth

    NASA Technical Reports Server (NTRS)

    Rosenberger, Franz; Monaco, Lisa A.

    1994-01-01

    A high-resolution microscopic interferometric setup for the monitoring of protein morphologies has been developed. Growth or dissolution of a crystal can be resolved with a long-term depth resolution of 200 A and a lateral resolution of 2 microns. This capability of simultaneously monitoring the interfacial displacement with high local depth resolution has yielded several novel results. We have found with lysozyme that (1) the normal growth rate is oscillatory, and (2) depending on the impurity content of the solution, the growth step density is either greater or lower at the periphery of a facet than in its center. The repartitioning of Na plus and Cl minus ions between lysozyme solutions and crystals was studied for a wide range of crystallization conditions. A nucleation-growth-repartitioning model was developed, to interpret the large body of data in unified way. The results strongly suggest that (1) the ion to lysozyne ratio in the crystal depends mostly on kinetic rather than crystallographic parameters, and (2) lysozyme crystals possess a salt-rich core with a diameter electron microscopy results appear to confirm this finding, which could have far-reaching consequences for x-ray diffraction studies. A computational model for diffusive-convective transport in protein crystallization has been applied to a realistic growth cell geometry, taking into account the findings of the above repartitioning studies and our kinetics data for the growth of lysozyme. The results show that even in the small cell employed, protein concentration nonuniformities and gravity-driven solutal convection can be significant. The calculated convection velocities are of the same order to magnitude as those found in earlier experiments. As expected, convective transport, i.e., at Og, lysozyme crystal growth remains kinetically limited. The salt distribution in the crystal is predicted to be non-uniform at both 1g and 0g, as a consequence of protein depletion in the solution. Static and

  6. 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.

  7. Eu(2+)-Activated Alkaline-Earth Halophosphates, M5(PO4)3X:Eu(2+) (M = Ca, Sr, Ba; X = F, Cl, Br) for NUV-LEDs: Site-Selective Crystal Field Effect.

    PubMed

    Kim, Donghyeon; Kim, Sung-Chul; Bae, Jong-Seong; Kim, Sungyun; Kim, Seung-Joo; Park, Jung-Chul

    2016-09-06

    Eu(2+)-activated M5(PO4)3X (M = Ca, Sr, Ba; X = F, Cl, Br) compounds providing different alkaline-earth metal and halide ions were successfully synthesized and characterized. The emission peak maxima of the M5(PO4)3Cl:Eu(2+) (M = Ca, Sr, Ba) compounds were blue-shifted from Ca to Ba (454 nm for Ca, 444 nm for Sr, and 434 nm for Ba), and those of the Sr5(PO4)3X:Eu(2+) (X = F, Cl, Br) compounds were red-shifted along the series of halides, F → Cl → Br (437 nm for F, 444 nm for Cl, and 448 nm for Br). The site selectivity and occupancy of the activator ions (Eu(2+)) in the M5(PO4)3X:Eu(2+) (M = Ca, Sr, Ba; X = F, Cl, Br) crystal lattices were estimated based on theoretical calculation of the 5d → 4f transition energies of Eu(2+) using LCAO. In combination with the photoluminescence measurements and theoretical calculation, it was elucidated that the Eu(2+) ions preferably enter the fully oxygen-coordinated sites in the M5(PO4)3X:Eu(2+) (M = Ca, Sr, Ba; X = F, Cl, Br) compounds. This trend can be well explained by "Pauling's rules". These compounds may provide a platform for modeling a new phosphor and application in the solid-state lighting field.

  8. Bias-field and pressure effects on the one-dimensional dielectric response in N-H(+)...N hydrogen-bonded 1,4-diazabicyclo[2.2.2]octane hydrobromide crystal.

    PubMed

    Szafrański, Marek

    2009-07-16

    Unusual dielectric properties of 1,4-diazabicyclo[2.2.2]octane hydrobromide [C(6)H(13)N(2)](+).Br(-) (dabcoHBr) have been investigated at ambient and hydrostatic pressures and at biasing dc electric field. The crystal exhibits a huge dielectric constant along the hydrogen-bonded chains, exceeding 1500, while in the perpendicular direction it behaves as a typical nonpolar dielectric. Though the dynamics of protons in the N-H(+)...N hydrogen bonds is essential for these properties, of key importance are weak protonic correlations leading to the formation of short-range ordered regions. The complex dielectric response of dabcoHBr is due to several contributions involving dipolar fluctuation within the polar nanoregions, fluctuations of boundaries, and excitation of solitonic kinks propagating along the chains as a result of coherent proton transfers. A relatively low dc biasing electric field distinctly modifies the dielectric response, making it reminiscent of ferroelectric relaxors. Profound changes are also induced by hydrostatic pressure, which counteracts the proton correlations and the short-range polar order formation. At elevated pressures, the hexagonal structure of dabcoHBr undergoes a phase transition, associated with a loss of the unusual dielectric properties. This is due to the breaking of the N-H(+)...N hydrogen bonds, which destroys the one-dimensional topology of the polycationic chains and results in formation of the phase built of hydrogen-bonded ionic pairs. The phase diagram, illustrating the phase boundary between the high- and low-dielectric constant phases of dabcoHBr, is presented.

  9. Low-voltage-driven electromechanical effects of swollen liquid-crystal elastomers.

    PubMed

    Yusuf, Yusril; Huh, Jong-Hoon; Cladis, P E; Brand, Helmut R; Finkelmann, Heino; Kai, Shoichi

    2005-06-01

    We experimentally investigate, in detail, electromechanical effects in liquid-crystal elastomers (LCEs) previously swollen with low-molecular-weight liquid crystals (LMWLCs). Both polydomain (POLY) and monodomain (MONO) LCEs were studied. We used a well known LMWLC, 4-n-pentyl-4-cyanobiphenyl (5CB) as a solvent. After swelling POLY and MONO LCEs (LSCE) with 5CB, shape changes were measured by recording the displacement of the edge of the swollen LCE at different voltages, V, and temperature. With 100 microm distance between electrodes, measurable shape changes (approximately 1-20 microm) are observed with small voltages (V approximately 0.5-10 V). In particular, we note that, compared to unswollen L(S)CEs, a dramatic approximately 200 times decrease of the threshold field was found for electromechanical effects in swollen L(S)CEs. While swollen MONO LCEs showed electromechanical effects in the planar geometry, homeotropic MONO swollen with homeotropically oriented 5CB did not. This is easy to understand because, in the homeotropic case, the liquid-crystal preferred axis is already aligned with the field so the field has no reorienting effect. The inverse of the response time when the field was switched on in both POLY and MONO was proportional to E2, which is the same field dependence as the response time of LMWLCs. When the field was switched off, the relaxation time showed a field dependence different from that of LMWLCs that we attribute to relaxation of the LCE network.

  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. 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.

  14. Multiscale approach to nematic liquid crystals via statistical field theory

    NASA Astrophysics Data System (ADS)

    Lu, Bing-Sui

    2017-08-01

    We propose an approach to a multiscale problem in the theory of thermotropic uniaxial nematics based on the method of statistical field theory. This approach enables us to relate the coefficients A , B , C , L1, and L2 of the Landau-de Gennes free energy for the isotropic-nematic phase transition to the parameters of a molecular model of uniaxial nematics, which we take to be a lattice gas model of nematogenic molecules interacting via a short-ranged potential. We obtain general constraints on the temperature and volume fraction of nematogens for the Landau-de Gennes theory to be stable against molecular orientation fluctuations at quartic order. In particular, for the case of a fully occupied lattice, we compute the values of the isotropic-nematic transition temperature and the order parameter discontinuity predicted by (i) a continuum approximation of the nearest-neighbor Lebwohl-Lasher model and (ii) a Lebwohl-Lasher-type model with a nematogenic interaction of finite range. We find that the predictions of (i) are in reasonably good agreement with known results of Monte Carlo simulation.

  15. Multiscale approach to nematic liquid crystals via statistical field theory.

    PubMed

    Lu, Bing-Sui

    2017-08-01

    We propose an approach to a multiscale problem in the theory of thermotropic uniaxial nematics based on the method of statistical field theory. This approach enables us to relate the coefficients A, B, C, L_{1}, and L_{2} of the Landau-de Gennes free energy for the isotropic-nematic phase transition to the parameters of a molecular model of uniaxial nematics, which we take to be a lattice gas model of nematogenic molecules interacting via a short-ranged potential. We obtain general constraints on the temperature and volume fraction of nematogens for the Landau-de Gennes theory to be stable against molecular orientation fluctuations at quartic order. In particular, for the case of a fully occupied lattice, we compute the values of the isotropic-nematic transition temperature and the order parameter discontinuity predicted by (i) a continuum approximation of the nearest-neighbor Lebwohl-Lasher model and (ii) a Lebwohl-Lasher-type model with a nematogenic interaction of finite range. We find that the predictions of (i) are in reasonably good agreement with known results of Monte Carlo simulation.

  16. Molecular field theory for biaxial smectic A liquid crystals

    NASA Astrophysics Data System (ADS)

    To, T. B. T.; Sluckin, T. J.; Luckhurst, G. R.

    2013-10-01

    Thermotropic biaxial nematic phases seem to be rare, but biaxial smectic A phases less so. Here we use molecular field theory to study a simple two-parameter model, with one parameter promoting a biaxial phase and the second promoting smecticity. The theory combines the biaxial Maier-Saupe and McMillan models. We use alternatively the Sonnet-Virga-Durand (SVD) and geometric mean approximations (GMA) to characterize molecular biaxiality by a single parameter. For non-zero smecticity and biaxiality, the model always predicts a ground state biaxial smectic A phase. For a low degree of smectic order, the phase diagram is very rich, predicting uniaxial and biaxial nematic and smectic phases, with the addition of a variety of tricritical and tetracritical points. For higher degrees of smecticity, the region of stability of the biaxial nematic phase is restricted and eventually disappears, yielding to the biaxial smectic phase. Phase diagrams from the two alternative approximations for molecular biaxiality are similar, except inasmuch that SVD allows for a first-order isotropic-biaxial nematic transition, whereas GMA predicts a Landau point separating isotropic and biaxial nematic phases. We speculate that the rarity of thermotropic biaxial nematic phases is partly a consequence of the presence of stabler analogous smectic phases.

  17. 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)

  18. Qubit addressing using hyperfine-interaction control by an electric field in a magnetic crystal

    SciTech Connect

    Song, Myeonghun; Lee, Soonchil; Lockwood, David J.

    2010-07-15

    We demonstrate experimentally the hyperfine-interaction control by an electric field, which is the operating principle of the addressable qubit operation in a silicon-based solid-state quantum computer in a new quantum computer system, a magnetic crystal. The transferred hyperfine field at a F{sup -} nucleus caused by neighboring Mn{sup 2+} electron spins in an antiferromagnetic MnF{sub 2} single crystal was measured by {sup 19}F nuclear magnetic resonance (NMR) with an external electric field applied along the [110] crystal direction. The electric field splits the {sup 19}F NMR peak into two resolved lines that come from the F nuclei located at geometrically equivalent sites. A line splitting of 56 kHz was achieved at an electric field of 3.4 V/{mu}m. One of the F{sup -} nuclear spins could be flipped selectively by a composite radio-frequency pulse while leaving the other unchanged, thereby demonstrating qubit addressing via electric field control of the hyperfine interaction.

  19. Anisotropic physical properties of single-crystal U2Rh2Sn in high magnetic fields

    NASA Astrophysics Data System (ADS)

    Prokeš, K.; Gorbunov, D. I.; Reehuis, M.; Klemke, B.; Gukasov, A.; Uhlířová, K.; Fabrèges, X.; Skourski, Y.; Yokaichiya, F.; Hartwig, S.; Andreev, A. V.

    2017-05-01

    We report on the crystal and magnetic structures, magnetic, transport, and thermal properties of U2Rh2Sn single crystals studied in part in high magnetic fields up to 58 T. The material adopts a U3Si2 -related tetragonal crystal structure and orders antiferromagnetically below TN=25 K. The antiferromagnetic structure is characterized by a propagation vector k =(00 1/2 ) . The magnetism in U2Rh2Sn is found to be associated mainly with 5 f states. However, both unpolarized and polarized neutron experiments reveal at low temperatures in zero field non-negligible magnetic moments also on Rh sites. U moments of 0.50(2) μB are directed along the tetragonal axis while Rh moments of 0.06(4) μB form a noncollinear arrangement confined to the basal plane. The response to applied magnetic field is highly anisotropic. Above ˜15 K the easy magnetization direction is along the tetragonal axis. At lower temperatures, however, a stronger response is found perpendicular to the c axis. While for the a axis no magnetic phase transition is observed up to 58 T, for the field applied at 1.8 K along the tetragonal axis we observe above 22.5 T a field-polarized state. A magnetic phase diagram for the field applied along the c axis is presented.

  20. Influence of rotating magnetic fields on THM growth of CdZnTe crystals under microgravity and ground conditions

    NASA Astrophysics Data System (ADS)

    Stelian, Carmen; Duffar, Thierry

    2015-11-01

    The influence of rotating magnetic fields (RMF) on species transport and interface stability during the growth of Cd0.96Zn0.04Te:In crystals by using the traveling heater method (THM), under microgravity and terrestrial conditions, is numerically investigated. The numerical results are compared to ground and space experiments. The modeling of THM under ground conditions shows very deleterious effects of the natural convection on the morphological stability of the growth interface. The vertical flow transports the liquid of low Te concentration from the dissolution interface to the growth interface, which is consequently destabilized. The suppression of this flow, in low-gravity conditions, results in higher morphological stability of the growth interface. Application of RMF induces a two flow cell pattern, which has a destabilizing effect on the growth interface. Simulations performed by varying the magnetic field induction in the range of 1 - 3 mT show optimal conditions for the growth with a stable interface at low strength of the magnetic field (B = 1 mT). Computations of indium distribution show a better homogeneity of crystals grown under purely diffusive conditions. Rotating magnetic fields of B = 1 mT induce low intensity convection, which generates concentration gradients near the growth interface. These numerical results are in agreement with experiments performed during the FOTON M4 space mission, showing good structural quality of Cd0.96Zn0.04Te crystals grown at very low gravity level. Applying low intensity rotating magnetic fields in ground experiments has no significant influence on the flow pattern and solute distribution. At high intensity of RMF (B = 50 mT), the buoyancy convection is damped near the growth front, resulting in a more stable advancing interface. However, convection is strengthening in the upper part of the liquid zone, where the flow becomes unsteady. The multi-cellular unsteady flow generates temperature oscillations, having

  1. X-ray plane-wave diffraction effects in a crystal with third-order nonlinearity

    NASA Astrophysics Data System (ADS)

    Balyan, M. K.

    2016-12-01

    The two-wave dynamical diffraction in the Laue geometry has been theoretically considered for a plane X-ray wave in a crystal with a third-order nonlinear response to the external field. An analytical solution to the problem stated is found for certain diffraction conditions. A nonlinear pendulum effect is analyzed. The nonlinear extinction length is found to depend on the incident-wave intensity. A pendulum effect of a new type is revealed: the intensities of the transmitted and diffracted waves periodically depend on the incidentwave intensity at a fixed crystal thickness. The rocking curves and Borrmann nonlinear effect are numerically calculated.

  2. Electromagnetic Field Effects in Explosives

    NASA Astrophysics Data System (ADS)

    Tasker, D. G.; Whitley, V. H.; Lee, R. J.

    2009-12-01

    Present and previous research on the effects of electromagnetic fields on the initiation and detonation of explosives and the electromagnetic properties of explosives are reviewed. Among the topics related to detonating explosives are: enhancement of performance; and control of initiation and growth of reaction. Two series of experiments were performed to determine the effects of 1-T magnetic fields on explosive initiation and growth in the modified gap test and on the propagation of explosively generated plasma into air. The results have implications for the control of reactions in explosives and for the use of electromagnetic particle velocity gauges.

  3. Experimental observation of effects of seeds on polymer crystallization

    NASA Astrophysics Data System (ADS)

    Zhu, Peng-Wei; Phillips, Andy; Edward, Graham; Nichols, Lance

    2009-11-01

    The effects of two seeds on the melt crystallization of isotactic polypropylene were experimentally investigated. The seed, which has the flat surface full of a nonuniform size distribution, has provided a right surface pattern to activate effectively the heterogeneous nucleation. In contrast, the seed, which has the curved surface full of a uniform size distribution, has failed to induce the heterogeneous nucleation. The results from the present work have also shown that the seed with strong nucleating ability leads to the formation of large crystals but the seed without nucleating ability does not influence much the crystal size.

  4. Transition of vertically aligned liquid crystal driven by fan-shaped electric field

    NASA Astrophysics Data System (ADS)

    Tsung, J. W.; Ting, T. L.; Chen, C. Y.; Liang, W. L.; Lai, C. W.; Lin, T. H.; Hsu, W. H.

    2017-09-01

    Interdigital electrodes are implemented in many commercial and novel liquid crystal devices to align molecules. Although many empirical principles and patents apply to electrode design, only a few numerical simulations of alignment have been conducted. Why and how the molecules align in an ordered manner has never been adequately explained. Hence, this investigation addresses the Fréedericksz transition of vertically aligned liquid crystal that is driven by fishbone electrodes, and thereafter identifies the mechanism of liquid crystal alignment. Theoretical calculations suggest that the periodic deformation that is caused by the fan-shaped fringe field minimizes the free energy in the liquid crystal cell, and the optimal alignment can be obtained when the cell parameters satisfy the relation p /2 d =√{k11/k33 } , where p is the spatial period of the strips of the electrode; d denotes the cell gap; and k11 and k33 are the splay and bend elastic constants of the liquid crystal, respectively. Polymer-stabilized vertical alignment test cells with various p values and spacings between the electrodes were fabricated, and the process of liquid crystal alignment was observed under an optical microscope. The degree of alignment was evaluated by measuring the transmittance of the test cell. The experimental results were consistent with the theoretical predictions. The principle of design, p /2 d =√{k11/k33 } , greatly improves the uniformity and stability of the aligned liquid crystal. The methods that are presented here can be further applied to cholesteric liquid crystal and other self-assembled soft materials.

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

    PubMed

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

    2013-11-06

    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.

  6. Effect of impurities on crystal growth rate of ammonium pentaborate

    NASA Astrophysics Data System (ADS)

    Şahin, Ö.; Özdemir, M.; Genli, N.

    2004-01-01

    The effect of sodium chloride, borax and boric acid of different concentrations on the growth rate of ammonium pentaborate octahydrate crystals (APBO) was measured and was found to depend on supersaturation in a fluidized bed crystallizer. The presence of impurities in APBO solution increases the growth rate compared with growth from pure solution. It was found that the presence of sodium chloride, borax and boric acid decreases the reaction rate constant kr, while it increases the mass-transfer coefficient, K, of APBO crystals. In pure aqueous solution, the crystal growth rate of APBO is mainly controlled by diffusion. However, both diffusion and integration steps affect the growth rate of APBO crystals in the presence of sodium chloride, borax and boric acid. The mass-transfer coefficient, K, reaction rate constant, kr and reaction order, r were calculated from general mass-transfer equation by using genetic algorithm method making no assumption.

  7. Effects of ionizing radiation on struvite crystallization of livestock wastewater

    NASA Astrophysics Data System (ADS)

    Kim, Tak-Hyun; Nam, Yun-Ku; Joo Lim, Seung

    2014-04-01

    Livestock wastewater is generally very difficult to be treated by conventional wastewater treatment techniques because it contains high-strength organics (COD), ammonium (NH4+), phosphate (PO43-) and suspended solids. Struvite crystallization has been recently studied for the simultaneous removal of NH4+ and PO43-. In this study, gamma ray irradiation was carried out prior to struvite crystallization of the anaerobically digested livestock wastewater. The effects of gamma ray irradiation on the struvite crystallization of livestock wastewater were investigated. As a result, gamma ray irradiation can decrease the concentration of COD, NH4+ and PO43- contained in the livestock wastewater. This results in not only an enhancement of the struvite crystallization efficiency but also a decrease in the chemical demands for the struvite crystallization of livestock wastewater.

  8. Crystal growth in fluid flow: Nonlinear response effects

    NASA Astrophysics Data System (ADS)

    Peng, H. L.; Herlach, D. M.; Voigtmann, Th.

    2017-08-01

    We investigate crystal-growth kinetics in the presence of strong shear flow in the liquid, using molecular-dynamics simulations of a binary-alloy model. Close to the equilibrium melting point, shear flow always suppresses the growth of the crystal-liquid interface. For lower temperatures, we find that the growth velocity of the crystal depends nonmonotonically on the shear rate. Slow enough flow enhances the crystal growth, due to an increased particle mobility in the liquid. Stronger flow causes a growth regime that is nearly temperature-independent, in striking contrast to what one expects from the thermodynamic and equilibrium kinetic properties of the system, which both depend strongly on temperature. We rationalize these effects of flow on crystal growth as resulting from the nonlinear response of the fluid to strong shearing forces.

  9. Effects of ultrasonic fields in the phosphoric acid process

    NASA Technical Reports Server (NTRS)

    Kowalska, E.; Mizera, J.; Jakobiec, H.

    1974-01-01

    A process of apatite decomposition with sulfuric acid was studied under the influence of ultrasound in the phosphoric acid production process. The studies were carried out with and without ultrasonic fields in the reaction mixture, which resembled the mixing ratio used in technical production processes. Ultrasound with a frequency of 20 kHz and an intensity of 1 W/sq cm was used in the studies. A very favorable ultrasonic effect upon the degree of apatite decomposition was observed. The ultrasonic field affects the shape of byproduct gypsum crystals. In the H3PO4 production process without ultrasound, the byproduct gypsum crystallizes as long, thin needles which cause problems in filtration. In the trials involving the application of wound, gypsum crystallized in the form of small platelets possessing a favorable ratio of length to width.

  10. Effects of ultrasonic fields in the phosphoric acid process

    NASA Technical Reports Server (NTRS)

    Kowalska, E.; Mizera, J.; Jakobiec, H.

    1974-01-01

    A process of apatite decomposition with sulfuric acid was studied under the influence of ultrasound in the phosphoric acid production process. The studies were carried out with and without ultrasonic fields in the reaction mixture, which resembled the mixing ratio used in technical production processes. Ultrasound with a frequency of 20 kHz and an intensity of 1 W/sq cm was used in the studies. A very favorable ultrasonic effect upon the degree of apatite decomposition was observed. The ultrasonic field affects the shape of byproduct gypsum crystals. In the H3PO4 production process without ultrasound, the byproduct gypsum crystallizes as long, thin needles which cause problems in filtration. In the trials involving the application of wound, gypsum crystallized in the form of small platelets possessing a favorable ratio of length to width.

  11. Inhomogeneous field induced magnetoelectric effect in Mott insulators

    SciTech Connect

    Boulaevskii, Lev N; Batista, Cristian D

    2008-01-01

    We consider a Mott insulator like HoMnO{sub 3} whose magnetic lattice is geometrically frustrated and comprises a 3D array of triangular layers with magnetic moments ordered in a 120{sup o} structure. We show that the effect of a uniform magnetic field gradient, {gradient}H, is to redistribute the electronic charge of the magnetically ordered phase leading to a unfirom electric field gradient. The resulting voltage difference between the crystal edges is proportional to the square of the crystal thickness, or inter-edge distance, L. It can reach values of several volts for |{gradient}H| {approx} 0.01 T/cm and L {approx_equal} 1mm, as long as the crystal is free of antiferromagnetic domain walls.

  12. Hall Effect in Bulk-Doped Organic Single Crystals.

    PubMed

    Ohashi, Chika; Izawa, Seiichiro; Shinmura, Yusuke; Kikuchi, Mitsuru; Watase, Seiji; Izaki, Masanobu; Naito, Hiroyoshi; Hiramoto, Masahiro

    2017-06-01

    The standard technique to separately and simultaneously determine the carrier concentration per unit volume (N, cm(-3) ) and the mobility (μ) of doped inorganic single crystals is to measure the Hall effect. However, this technique has not been reported for bulk-doped organic single crystals. Here, the Hall effect in bulk-doped single-crystal organic semiconductors is measured. A key feature of this work is the ultraslow co-deposition technique, which reaches as low as 10(-9) nm s(-1) and enables us to dope homoepitaxial organic single crystals with acceptors at extremely low concentrations of 1 ppm. Both the hole concentration per unit volume (N, cm(-3) ) and the Hall mobility (μH ) of bulk-doped rubrene single crystals, which have a band-like nature, are systematically observed. It is found that these rubrene single crystals have (i) a high ionization rate and (ii) scattering effects because of lattice disturbances, which are peculiar to this organic single crystal. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Wide-field-of-view narrow-band spectral filters based on photonic crystal nanocavities.

    PubMed

    Nakagawa, Wataru; Sun, Pang-Chen; Chen, Chyong-Hua; Fainman, Yeshaiahu

    2002-02-01

    We describe a novel approach to implementing wide-field-of-view narrow-band spectral filters, using an array of resonant nanocavities consisting of periodic defects in a two-dimensional three-material photonic-crystal nanostructure. We analyze the transmissivity of this type of filter for a range of wavelengths and in-plane incidence angles as a function of the defect's refractive index, the number of layers in the photonic-crystal reflectors, and the period of the defects and find that this structure diminishes the angular sensitivity of the resonance condition relative to that of a standard multilayer filter.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. Drying dissipative patterns of the colloidal crystals of silica spheres in an dc-electric field.

    PubMed

    Okubo, Tsuneo; Kimura, Keisuke; Tsuchida, Akira

    2007-04-15

    Drying dissipative structural patterns of the colloidal crystals of silica spheres were studied under an dc-electric field. Platinum plate electrodes of anode and cathode were set on a cover glass. The broad hills accumulated with the spheres were observed at the outer edges of the dried film without and also with the electric fields. The column-like structures were formed by the electric flux, and movement of the spheres took place toward anode. The dried film kept colloidal crystal structure, where the nearest-neighbored spheres contact each other more compactly in the areas closer to the anode. Drying times needed for the complete dryness of the suspensions decreased as the strength of the electric field increased. Addition of sodium chloride to the suspensions retarded the movement of spheres toward the anode substantially.

  19. Application of Terahertz Field Enhancement Effect in Metal Microstructures

    NASA Astrophysics Data System (ADS)

    Nakajima, M.; Kurihara, T.; Tadokoro, Y.; Kang, B.; Takano, K.; Yamaguchi, K.; Watanabe, H.; Oto, K.; Suemoto, T.; Hangyo, M.

    2016-12-01

    Applications of high-field terahertz pulses are attractive in physics and terahertz technology. In this study, two applications related to high-intensity terahertz pulses are demonstrated. The field enhancement effect by subwavelength metallic microstructures is utilized for terahertz excitation measurement. The spin precession dynamics in magnetic materials was induced by a terahertz magnetic field. Spin precession was amplified by one order of magnitude in amplitude by the enhanced magnetic terahertz field in orthoferrite ErFeO3 with metal microstructures. The induced spin dynamics was analyzed and explained by LLG-LCR model. Moreover, a detection method for terahertz pulses was developed using a cholesteric liquid crystal at room temperature without any electronic devices. The beam profile of terahertz pulses was visualized and compared to other methods such as the knife edge method using pyroelectric detector and micro-bolometer array. The liquid crystal terahertz imager is very simple and has good applicability as a portable terahertz-sensing card.

  20. Crystal growth and low coercive field 180{degree} domain switching characteristics of stoichiometric LiTaO{sub 3}

    SciTech Connect

    Kitamura, K.; Furukawa, Y.; Niwa, K.; Gopalan, V.; Mitchell, T.E.

    1998-11-01

    We grew LiTaO{sub 3} single crystals with a composition close to stoichiometry by using a double crucible Czochralski method. The switching field required for 180{degree} ferroelectric domain reversal and the internal fields originating from nonstoichiometric point defects were compared for the stoichiometric and conventional commercially available crystals. The switching fields for the domain reversal in the stoichiometric crystal with a Curie temperature of 685 {degree}C was 1.7 kV/mm. This is about one thirteenth of the switching field required for the conventional LiTaO{sub 3thinsp} crystals with a Curie temperature near 600 {degree}C. The internal field in the stoichiometric crystal drastically decreased to 0.1 kV/mm. {copyright} {ital 1998 American Institute of Physics.}