Solitons induced by alternating electric fields in surface-stabilized ferroelectric liquid crystals

NASA Astrophysics Data System (ADS)

Jeżewski, W.; Kuczyński, W.; Hoffmann, J.

2011-04-01

Propagation of solitary waves activated in thin ferroelectric liquid crystal cells under external, sinusoidally alternating electric fields is investigated using the electro-optic technique. It is shown that solitons give contributions only to the loss component of the response spectrum, within rather narrow ranges of frequencies and in sufficiently strong fields. The limit frequency, at which the amplitude of the velocity of the solitary waves is greatest, is found to be related to material constants of liquid crystals. Measuring this threshold frequency provides the capability to determine the elastic constant of surface stabilized liquid crystalline materials in the bookshelf or chevron layer geometries.

Study on influence of growth conditions on position and shape of crystal/melt interface of alkali lead halide crystals at Bridgman growth

NASA Astrophysics Data System (ADS)

Král, Robert

2012-12-01

Suitable conditions for growth of high quality single crystals of ternary alkali lead halides prepared by a Bridgman method were explored using direct observation of a crystal/melt interface when pulling an ampoule out of a furnace, deliberated striations' induction and measurement of a temperature field in the filled ampoule in the vertical Bridgman arrangement, as model compounds lead chloride and ternary rubidium lead bromide were used. By direct observation only position of the crystal/melt interface was markedly determined, while by induced striations both the position and the shape of the interface were visualized but their contrast had to be intensified by adding admixtures. Performed temperature measurements in the filled ampoule brought both a view of temperature field in the 3D radial symmetry and basic data for comparison of a real temperature field with those obtained by projected modeling.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fukao, Shinji; Nakanishi, Yoshikazu; Mizoguchi, Tadahiro

X-rays are radiated due to the bremsstrahlung caused by the collision of electrons with a metal target placed opposite the negative electric surface of a crystal by changing the temperature of a LiNbO{sub 3} single crystal uniaxially polarized in the c-axis direction. It is suggested that both electric field intensity and electron density determine the intensity of X-ray radiation. Electrons are supplied by the ionization of residual gas in space, field emission from a case inside which a crystal is located, considered to be due to the high electric-field intensity formed by the surface charges on the crystal, and anmore » external electron source, such as a thermionic source. In a high vacuum, it was found that the electrons supplied by electric-field emission mainly contribute to the radiation of X-rays. It was found that the integrated intensity of X-rays can be maximized by supplying electrons both external and by electric-field emission. Furthermore, the integrated intensity of the X-rays is stable for many repeated temperature changes.« less

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.

Magnetic anisotropy behaviour of pyrrhotite as determined by low- and high-field experiments

NASA Astrophysics Data System (ADS)

Martín-Hernández, F.; Dekkers, M. J.; Bominaar-Silkens, I. M. A.; Maan, J. C.

2008-07-01

Here we report on the sources of magnetic anisotropy in pyrrhotite, an iron sulphide present in many rocks as an important carrier of the Natural Remanent Magnetization. While the magnetic hysteresis parameters of pyrrhotite are well known, the existing database concerning its anisotropy behaviour is patchy and ambiguous. Therefore, a collection of 11 seemingly single crystals of natural pyrrhotite was scrutinized. Before embarking on the anisotropy determinations the set of single crystals was extensively characterized rock magnetically by measuring Curie temperatures, hysteresis loops, IRM acquisition curves, and FORC diagrams (the latter three all at room temperature). First the variation of the low-field susceptibility as function of applied field and grain size was evaluated for fields ranging from 1 to 450 A m-1. Existing grain size dependent data and the present larger crystals show a logarithmic grain size dependence. This enables estimating the grain size for unimodal pyrrhotite distributions in rocks. Measured trends are better fitted with an exponential function than with a Rayleigh Law style function. Based on the rock magnetic characterization and the behaviour of the anisotropy of magnetic susceptibility six samples (of the original 11) were selected for the high-field anisotropy determinations within the basal plane. Those data were acquired with a torque cantilever-type magnetometer. As expected, most single crystals showed a pure 6-θ curve within their basal plane because of the easy axis configuration. In some crystals, however, lower harmonic terms overlapped the 6-θ term. This may be the dominant source of the observed variation in magnetic anisotropy properties. Torque data of three of the six samples were of sufficient quality to allow evaluation of K1. Re-evaluation of existing torque data and including the present newly derived determinations, yields for the anisotropy constant of pyrrhotite within the basal plane K1: (2.7 +/- 0.2) 104 Jm-3. This is over an order of magnitude more precise than the sparse existing K1 data; only the value reported by Mikami and co-authors in 1959 agrees with the new determination. With this firmly established K1 value meaningful anisotropy models are now possible for pyrrhotite-bearing rocks.

SdsA polymorph isolation and improvement of their crystal quality using nonconventional crystallization techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

De la Mora, Eugenio; Flores-Hernández, Edith; Jakoncic, Jean

SdsA, a sodium dodecyl sulfate hydrolase, from Pseudomonas aeruginosa was crystallized in three different crystal polymorphs and their three-dimensional structure was determined. The different polymorphs present different crystal packing habits. One of the polymorphs suggests the existence of a tetramer, an oligomeric state not observed previously, while the crystal packing of the remaining two polymorphs obstructs the active site entrance but stabilizes flexible regions of the protein. Nonconventional crystallization methods that minimize convection, such as counterdiffusion in polyvinyl alcohol gel coupled with the influence of a 500 MHz (10.2 T) magnetic field, were necessary to isolate the poorest diffracting polymorphmore » and increase its internal order to determine its structure by X-ray diffraction. In conclusion, the results obtained show the effectiveness of nonconventional crystallographic methods to isolate different crystal polymorphs.« less

Exchange field effect in the crystal-field ground state of Ce M Al 4 Si 2

DOE PAGES

Chen, K.; Strigari, F.; Sundermann, M.; ...

2016-09-06

The crystal-field ground-state wave functions of the tetragonal, magnetically ordering Kondo lattice materials CeMAl 4Si 2 (M = Rh, Ir, and Pt) are determined in this paper with low-temperature linearly polarized soft-x-ray absorption spectroscopy, and estimates for the crystal-field splittings are given from the temperature evolution of the linear dichroism. Values for the dominant exchange field in the magnetically ordered phases can be obtained from fitting the influence of magnetic order on the linear dichroism. The direction of the required exchange field is || c for the antiferromagnetic Rh and Ir compounds, with the corresponding strength of the order ofmore » λ ex ≈ 6 meV (65 K). Finally and furthermore, the presence of Kondo screening in the Rh and Ir compound is demonstrated on the basis of the absorption due to f 0 in the initial state.« less

Spectroscopic determination of crystal-field levels in CeRh2Si2 and CeRu2Si2 and of the 4f0 contributions in CeM2Si2 (M=Cu, Ru, Rh, Pd, and Au)

NASA Astrophysics Data System (ADS)

Willers, T.; Adroja, D. T.; Rainford, B. D.; Hu, Z.; Hollmann, N.; Körner, P. O.; Chin, Y.-Y.; Schmitz, D.; Hsieh, H. H.; Lin, H.-J.; Chen, C. T.; Bauer, E. D.; Sarrao, J. L.; McClellan, K. J.; Byler, D.; Geibel, C.; Steglich, F.; Aoki, H.; Lejay, P.; Tanaka, A.; Tjeng, L. H.; Severing, A.

2012-01-01

We have determined the ground-state wave functions and crystal-field-level schemes of CeRh2Si2 and CeRu2Si2 using linear polarized soft x-ray-absorption spectroscopy (XAS) and inelastic neutron scattering. We find large crystal-field splittings and ground-state wave functions which are made of mainly Jz = |±5/2> with some amount of |∓3/2> in both the compounds. The 4f0 contribution to the ground state of several members of the CeM2Si2 family with M=(Cu, Ru, Rh, Pd, and Au) has been determined with XAS, and the comparison reveals a trend concerning the delocalization of the f electrons. Absolute numbers are extracted from scaling to results from hard x-ray photoelectron spectroscopy on CeRu2Si2 by Yano [Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.77.035118 77, 035118 (2008)].

Charge-Transfer Analysis of 2p3d Resonant Inelastic X-ray Scattering of Cobalt Sulfide and Halides

PubMed Central

2017-01-01

We show that with 2p3d resonant inelastic X-ray scattering (RIXS) we can accurately determine the charge-transfer parameters of CoF2, CoCl2, CoBr2, and CoS. The 160 meV resolution RIXS results are compared with charge-transfer multiplet calculations. The improved resolution and the direct observation of the crystal field and charge-transfer excitations allow the determination of more accurate parameters than could be derived from X-ray absorption and X-ray photoemission, both limited in resolution by their lifetime broadening. We derive the crystal field and charge-transfer parameters of the Co2+ ions, which provides the nature of the ground state of the Co2+ ions with respect to symmetry and hybridization. In addition, the increased spectral resolution allows the more accurate determination of the atomic Slater integrals. The results show that the crystal field energy decreases with increasing ligand covalency. The L2 edge RIXS spectra show that the intensity of the (Coster–Kronig induced) nonresonant X-ray emission is a measure of ligand covalency. PMID:29170686

Fluid mechanics in crystal growth - The 1982 Freeman scholar lecture

NASA Technical Reports Server (NTRS)

Ostrach, S.

1983-01-01

An attempt is made to unify the current state of knowledge in crystal growth techniques and fluid mechanics. After identifying important fluid dynamic problems for such representative crystal growth processes as closed tube vapor transport, open reactor vapor deposition, and the Czochralski and floating zone melt growth techniques, research results obtained to date are presented. It is noted that the major effort to date has been directed to the description of the nature and extent of bulk transport under realistic conditions, where bulk flow determines the heat and solute transport which strongly influence the temperature and concentration fields in the vicinity of the growth interface. Proper treatment of near field, or interface, problems cannot be given until the far field, or global flow, involved in a given crystal growth technique has been adequately described.

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.

The effect of growth temperature on the irreversibility line of MPMG YBCO bulk with Y2O3 layer

NASA Astrophysics Data System (ADS)

Kurnaz, Sedat; Çakır, Bakiye; Aydıner, Alev

2017-07-01

In this study, three kinds of YBCO samples which are named Y1040, Y1050 and Y1060 were fabricated by Melt-Powder-Melt-Growth (MPMG) method without a seed crystal. Samples seem to be single crystal. The compacted powders were located on a crucible with a buffer layer of Y2O3 to avoid liquid to spread on the furnace plate and also to support crystal growth. YBCO samples were investigated by magnetoresistivity (ρ-T) and magnetization (M-T) measurements in dc magnetic fields (parallel to c-axis) up to 5 T. Irreversibility fields (Hirr) and upper critical fields (Hc2) were obtained using 10% and 90% criteria of the normal state resistivity value from ρ-T curves. M-T measurements were carried out using the zero field cooling (ZFC) and field cooling (FC) processes to get irreversible temperature (Tirr). Fitting of the irreversibility line results to giant flux creep and vortex glass models were discussed. The results were found to be consistent with the results of the samples fabricated using a seed crystal. At the fabrication of MPMG YBCO, optimized temperature for crystal growth was determined to be around 1050-1060 °C.

Single crystal EPR determination of the quantum energy level structure for Fe8 molecular clusters

NASA Astrophysics Data System (ADS)

Maccagnano, S.; Hill, S.; Negusse, E.; Lussier, A.; Mola, M. M.; Achey, R.; Dalal, N. S.

2001-05-01

Using a high sensitivity resonance cavity technique,^1 we are able to obtain high field/frequency (up to 9 tesla/210 GHz) EPR spectra for oriented single crystals of [Fe_8O_2(OH)_12(tacn)_6]Br_8.9H_2O (or Fe8 for short). Extrapolating the frequency dependence of transitions to zero-field (for any orientation of the field) allows us to directly, and accurately (to within 0.5 percent), determine the first five zero-field splittings, which are in reasonable agreement with recent inelastic neutron studies.^2 The dependence of these splittings on the applied field strength, and its orientation with respect to the crystal, enables us to identify (to within 1^o) the easy, intermediate and hard magnetic axes. Subsequent analysis of EPR spectra for field parallel to the easy axis yields a value of for gz which is appreciably different from the value assumed in a recent high field EPR study by Barra et al.^3 ^1 M.M. Mola, S. Hill, P. Goy, and M. Gross, Rev. Sci. Inst. 71, 186 (2000). ^2 R. Caciuffo, G. Amoretti, R. Sessoli, A. Caneschi, and D. Gatteschi, Phys. Rev. Lett. 81, 4744 (1998). ^3 A. L. Barra, D. Gatteschi, and R. Sessoli, cond?mat/0002386 (Feb, 2000).

Icosahedral stereographic projections in three dimensions for use in dark field TEM.

PubMed

Bourdillon, Antony J

2013-08-01

Thermodynamics require that rapidly cooled crystals and quasicrystals are relatively defective. Yet, without convenient 3-dimensional indexation both at crystal poles and in diffraction planes, or Kikuchi maps, it is difficult to identify the defects by dark field transmission electron microscopy. For two phase Al6Mn, these maps are derived. They relate i-Al6Mn to the standard face centered cubic, matrix crystals. An example of their usefulness in determining interfacial characteristics is described. Indices are integral powers on an irrational number. Copyright © 2013 Elsevier Ltd. All rights reserved.

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

NASA Astrophysics Data System (ADS)

Ramachandran, Narayanan; Leslie, Fred; Ciszak, Ewa

2002-11-01

An important component in biotechnology, particularly in the area of protein engineering and rational drug design is the knowledge of the precise three-dimensional molecular structure of proteins. The quality of structural information obtained from X-ray diffraction methods is directly dependent on the degree of perfection of the protein crystals. As a consequence, the growth of high quality macromolecular crystals for diffraction analyses has been the central focus for biochemists, biologists, and bioengineers. Macromolecular crystals are obtained from solutions that contain the crystallizing species in equilibrium with higher aggregates, ions, precipitants, other possible phases of the protein, foreign particles, the walls of the container, and a likely host of other impurities. By changing transport modes in general, i.e., reduction of convection and sedimentation, as is achieved in "microgravity", researchers have been able to dramatically affect the movement and distribution of macromolecules in the fluid, and thus their transport, formation of crystal nuclei, and adsorption to the crystal surface. While a limited number of high quality crystals from space flights have been obtained, as the recent National Research Council (NRC) review of the NASA microgravity crystallization program pointed out, the scientific approach and research in crystallization of proteins has been mainly empirical yielding inconclusive results. We postulate that we can reduce convection in ground-based experiments and we can understand the different aspects of convection control through the use of strong magnetic fields and field gradients. Whether this limited convection in a magnetic field will provide the environment for the growth of high quality crystals is still a matter of conjecture that our research will address. The approach exploits the variation of fluid magnetic susceptibility with concentration for this purpose and the convective damping is realized by appropriately 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. The experiment was conducted both in the presence and absence of a magnetic field gradient. The magnet produces a gradient field of approx. 1 Tesla2/cm. Image analysis of the recorded images indicated an enhanced plume velocity that was of the order of the measurement limit. For this experiment, both the gradient and gravity fields are in the same direction resulting in an enhanced effective gravity that tends to accelerate the observed plume velocity. While the results are not conclusive, pending further tests, it clearly points out the inadequacy of the MSFC magnet for conducting protein crystallization experiments and the need for a stronger magnet. In spacebased experiments, however, where the gravitational effects are small, only a weak magnetic field will be required to control or mitigate the effects of convective contamination.

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

NASA Technical Reports Server (NTRS)

Ramachandran, Narayanan; Leslie, Fred; Ciszak, Ewa

2002-01-01

An important component in biotechnology, particularly in the area of protein engineering and rational drug design is the knowledge of the precise three-dimensional molecular structure of proteins. The quality of structural information obtained from X-ray diffraction methods is directly dependent on the degree of perfection of the protein crystals. As a consequence, the growth of high quality macromolecular crystals for diffraction analyses has been the central focus for biochemists, biologists, and bioengineers. Macromolecular crystals are obtained from solutions that contain the crystallizing species in equilibrium with higher aggregates, ions, precipitants, other possible phases of the protein, foreign particles, the walls of the container, and a likely host of other impurities. By changing transport modes in general, i.e., reduction of convection and sedimentation, as is achieved in "microgravity", researchers have been able to dramatically affect the movement and distribution of macromolecules in the fluid, and thus their transport, formation of crystal nuclei, and adsorption to the crystal surface. While a limited number of high quality crystals from space flights have been obtained, as the recent National Research Council (NRC) review of the NASA microgravity crystallization program pointed out, the scientific approach and research in crystallization of proteins has been mainly empirical yielding inconclusive results. We postulate that we can reduce convection in ground-based experiments and we can understand the different aspects of convection control through the use of strong magnetic fields and field gradients. Whether this limited convection in a magnetic field will provide the environment for the growth of high quality crystals is still a matter of conjecture that our research will address. The approach exploits the variation of fluid magnetic susceptibility with concentration for this purpose and the convective damping is realized by appropriately 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. The experiment was conducted both in the presence and absence of a magnetic field gradient. The magnet produces a gradient field of approx. 1 Tesla2/cm. Image analysis of the recorded images indicated an enhanced plume velocity that was of the order of the measurement limit. For this experiment, both the gradient and gravity fields are in the same direction resulting in an enhanced effective gravity that tends to accelerate the observed plume velocity. While the results are not conclusive, pending further tests, it clearly points out the inadequacy of the MSFC magnet for conducting protein crystallization experiments and the need for a stronger magnet. In spacebased experiments, however, where the gravitational effects are small, only a weak magnetic field will be required to control or mitigate the effects of convective contamination.

Lower critical field measurements in YBa2Cu3O(6+x) single crystals

NASA Technical Reports Server (NTRS)

Kaiser, D. L.; Swartzendruber, L. J.; Gayle, F. W.; Bennett, L. H.

1991-01-01

The temperature dependence of the lower critical field in YBa2Cu3O(6+x) single crystals was determined by magnetization measurements with the applied field parallel and perpendicular to the c-axis. Results are compared with data from the literature and fitted to Ginzberg-Landau equations by assuming a linear dependence of the parameter kappa on temperature. A value of 7 plus or minus 2 kOe was estimated for the thermodynamic critical field at T = O by comparison of calculated H (sub c2) values with experimental data from the literature.

Glassy vortex behavior in superconducting SrPd2Ge2 single crystals

NASA Astrophysics Data System (ADS)

Sung, N. H.; Jo, Y. J.; Cho, B. K.

2012-07-01

In this study we report the vortex-glass behavior of superconducting ternary germanide SrPd2Ge2 single crystals with a ThCr2Si2-type structure. We observed flux trapping and its nonexponential decay with time after the magnetic field was turned off at T = 2 K. In addition, we found that the diamagnetism in the zero field cooling (ZFC) mode below Tc was irreversible, depending on the temperature and field history, whereas the diamagnetism in the field-cooled warming (FCW) mode was reversible if the applied magnetic field was parallel to the c-axis. An irreversibility line Tr(H) was determined by the ZFC and FCW measurements at various magnetic fields, and the temperature dependence of Tr(H) was found to agree with the de Almeida-Thouless relation, H = H0[1-Tr(H)/Tc(0)]γ, where γ = 3/2. Including these vortex-glass behaviors, we discuss the critical current density, Jc(T), determined from isothermal magnetization measurements at various temperatures, and the pinning potential, determined from the slope of an Arrhenius plot, lnR(T,B) versus 1/T.

Optical Magnetometer Incorporating Photonic Crystals

NASA Technical Reports Server (NTRS)

Kulikov, Igor; Florescu, Lucia

2007-01-01

According to a proposal, photonic crystals would be used to greatly increase the sensitivities of optical magnetometers that are already regarded as ultrasensitive. The proposal applies, more specifically, to a state-of-the-art type of quantum coherent magnetometer that exploits the electromagnetically-induced-transparency (EIT) method for determining a small change in a magnetic field indirectly via measurement of the shift, induced by that change, in the hyperfine levels of resonant atoms exposed to the field.

Onset of bulk pinning in BSCCO single crystals

NASA Astrophysics Data System (ADS)

van der Beek, C. J.; Indenbom, M. V.; Berseth, V.; Li, T. W.; Benoit, W.

1996-11-01

The long growth defects often found in Bi2Sr2CaCu2O8, “single” crystals effectively weaken the geometrical barrier and lower the field of first flux penetration. This means that the intrinsic (bulk) magnetic properties can be more easily accessed using magnetic measurements. Thus, the onset of strong bulk flux pinning in the sample bulk is determined to lie at T ≈ 40 K, indepedent of whether the field strength is above or below the field of the second peak in the magnetisation.

Electrorotation of colloidal particles in liquid crystals

NASA Astrophysics Data System (ADS)

Liao, G.; Smalyukh, I. I.; Kelly, J. R.; Lavrentovich, O. D.; Jákli, A.

2005-09-01

We present the first observations of dc electric-field-induced rotational motion of finite particles in liquid crystals. We show that the electrorotation is essentially identical to the well-known Quincke rotation, which in liquid crystals triggers an additional translational motion at higher fields. In the smectic phase the translational motion is confined to the two-dimensional geometry of smectic layers, in contrast to the isotropic and nematic phases, where the particles can move in all three dimensions. We demonstrate that by a proper analysis of the electrorotation, one can determine the in-plane viscosity of smectic liquid crystals. This method needs only a small amount of material, does not require uniform alignment over large areas, and enables probing rheological properties locally.

Mechanical and electro-optical properties of unconventional liquid crystal systems

NASA Astrophysics Data System (ADS)

Liao, Guangxun

Four types of unconventional liquid crystal systems - amphotropic glycolipids; novel bent-core liquid crystals, bent-core liquid crystal and glycolipid mixtures, and colloidal crystal-liquid crystal systems - were studied and characterized by polarizing microscopy, electrical current, digital scanning calorimetry, and dielectric spectroscopy. Thermotropic properties of glycolipids show a number of unusual properties, most notably high (60-120) relative dielectric constants mainly proportional to the number of polar sugar heads. The relaxation of this dielectric mode is found to be governed by the hydrogen bonding between sugar heads. Studies on novel bent-core liquid crystals reveal a new optically isotropic ferroelectric phase, molecular chirality-induced polarity, and transitions between molecular chirality and polarity driven phases. Mixtures of several bent-core substances with nematic, polar SmA and SmC phases, and a simple amphiphilic sugar lipid with SmA mesophase found to obey the well known miscibility rules, i.e. the sugar lipid mixes best with the polar SmA bent-core material. In addition, the chiral sugar lipid was found to induce tilt to the non-tilted polar SmA phase, which represents a new direction among the chirality--polarity--tilt relations. The effects of the surface properties and electric fields were studied on various colloid particles--and liquid crystal systems. It is found that the surface properties (hydrophobicity, roughness, rubbing) of the substrates are important in determining the size and symmetry of colloidal crystals. The director field of the liquid crystal infiltrated in the colloid crystals can be rendered both random and uniform along one of the crystallographic axis. We present the first observations of DC electric-field-induced rotational and translational motion of finite particles in liquid crystals. The electrorotation is essentially identical to the well - known Quincke rotation, which in liquid crystals triggers an additional translational motion at higher fields. Analysis of the electro-rotation and translations provides new ways to probe local rheological properties of liquid crystals.

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.

Study of light-absorbing crystal birefringence and electrical modulation mechanisms for coupled thermal-optical effects.

PubMed

Zhou, Ji; He, Zhihong; Ma, Yu; Dong, Shikui

2014-09-20

This paper discusses Gaussian laser transmission in double-refraction crystal whose incident light wavelength is within its absorption wave band. Two scenarios for coupled radiation and heat conduction are considered: one is provided with an applied external electric field, the other is not. A circular heat source with a Gaussian energy distribution is introduced to present the crystal's light-absorption process. The electromagnetic field frequency domain analysis equation and energy equation are solved to simulate the phenomenon by using the finite element method. It focuses on the influence of different values such as wavelength, incident light intensity, heat transfer coefficient, ambient temperature, crystal thickness, and applied electric field strength. The results show that the refraction index of polarized light increases with the increase of crystal temperature. It decreases as the strength of the applied electric field increases if it is positive. The mechanism of electrical modulation for the thermo-optical effect is used to keep the polarized light's index of refraction constant in our simulation. The quantitative relation between thermal boundary condition and strength of applied electric field during electrical modulation is determined. Numerical results indicate a possible approach to removing adverse thermal effects such as depolarization and wavefront distortion, which are caused by thermal deposition during linear laser absorption.

Magnetocrystalline anisotropy of cementite pseudo single crystal fabricated under a rotating magnetic field

NASA Astrophysics Data System (ADS)

Yamamoto, Sukeyoshi; Terai, Tomoyuki; Fukuda, Takashi; Sato, Kazunori; Kakeshita, Tomoyuki; Horii, Shigeru; Ito, Mikio; Yonemura, Mitsuharu

2018-04-01

We have fabricated a pseudo single crystal of cementite under a rotating magnetic field and investigated its easy and hard axes of magnetization, and determined its magnetocrystalline anisotropy energy. The obtained results are as follows: the hard and easy axes of cementite are the a- and c-axes of the orthorhombic structure with the space group Pnma, respectively. The hard axis observed experimentally was in good agreement with that obtained by an ab initio calculation; however, such consistency was not observed for the easy axis. The magnetocrystalline anisotropy energy was determined as 334 ± 20 kJ/m3 at 5 K.

Structural and magnetic investigations of single-crystalline neodymium zirconate pyrochlore Nd2Zr2O7

NASA Astrophysics Data System (ADS)

Hatnean, M. Ciomaga; Lees, M. R.; Petrenko, O. A.; Keeble, D. S.; Balakrishnan, G.; Gutmann, M. J.; Klekovkina, V. V.; Malkin, B. Z.

2015-05-01

We report structural and magnetic properties studies of large high-quality single crystals of the frustrated magnet Nd2Zr2O7 . Powder x-ray diffraction analysis confirms that Nd2Zr2O7 adopts the pyrochlore structure. Room-temperature x-ray diffraction and time-of-flight neutron-scattering experiments show that the crystals are stoichiometric in composition with no measurable site disorder. The temperature dependence of the magnetic susceptibility shows no magnetic ordering at temperatures down to 0.5 K. Fits to the magnetic susceptibility data using a Curie-Weiss law reveal a ferromagnetic coupling between the Nd moments. Magnetization versus field measurements show a local Ising anisotropy along the <111 > axes of the Nd3 + ions in the ground state. Specific heat versus temperature measurements in zero applied magnetic field indicate the presence of a thermal anomaly below T ˜7 K, but no evidence of magnetic ordering is observed down to 0.5 K. The experimental temperature dependence of the single-crystal bulk dc susceptibility and isothermal magnetization are analyzed using crystal field theory and the crystal field parameters and exchange coupling constants determined.

Growth and characterization of diammonium copper disulphate hexahydrate single crystal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Siva Sankari, R.; Perumal, Rajesh Narayana, E-mail: r.shankarisai@gmail.com

2014-03-01

Graphical abstract: Diammonium copper disulphate hexahydrate (DACS) is one of the most promising inorganic dielectric crystals with exceptional mechanical properties. Good quality crystals of DACS were grown by using solution method in a period of 30 days. The grown crystals were subjected to single crystal X-ray diffraction analysis in order to establish their crystalline nature. Thermo gravimetric, differential thermal analysis, FTIR, and UV–vis–NIR analysis were performed for the crystal. Several solid state physical parameters have been determined for the grown crystals. The dielectric constant and the dielectric loss and AC conductivity of the grown crystal were studied as a functionmore » of frequency and temperature has been calculated and plotted. - Highlights: • Diammonium copper disulphate is grown for the first time and CCDC number obtained. • Thermal analysis is done to see the stability range of the crystals. • Band gap and UV cut off wavelength of the crystal are determined to be 2.4 eV and 472.86 nm, respectively. • Dielectric constant, dielectric loss and AC conductivity are plotted as a function of applied field. - Abstract: Diammonium copper disulphate hexahydrate is one of the most promising inorganic crystals with exceptional dielectric properties. A good quality crystal was harvested in a 30-day period using solution growth method. The grown crystal was subjected to various characterization techniques like single crystal X-ray diffraction analysis, thermo gravimetric, differential thermal analysis, FTIR, and UV–vis–NIR analysis. Unit cell dimensions of the grown crystal have been identified from XRD studies. Functional groups of the title compounds have been identified from FTIR studies. Thermal stability of the samples was checked by TG/DTA studies. Band gap of the crystal was calculated. The dielectric constant and dielectric loss were studied as a function of frequency of the applied field. AC conductivity was plotted as a function of temperature.« less

Crystal-field effects in fluoride crystals for optical refrigeration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hehlen, Markus P

2010-01-01

The field of optical refrigeration of rare-earth-doped solids has recently seen an important breakthrough. The cooling of a YLiF{sub 4} (YLF) crystal doped with 5 mol% Yb3+ to 155 K by Seletskiy et al [NPhot] has surpassed the lowest temperatures ({approx}170 K for {approx}100 mW cooling capacity) that are practical with commercial multi-stage thermoelectric coolers (TEC) [Glaister]. This record performance has advanced laser cooling into an application relevant regime and has put first practical optical cryocoolers within reach. The result is also relevant from a material perspective since for the first time, an Yb3+-doped crystal has outperformed an Yb3+-doped glass.more » The record temperature of 208 K was held by the Yb3+-doped fluorozirconate glass ZBLAN. Advanced purification and glass fabrication methods currently under development are expected to also advance ZBLAN:Yb3+ to sub-TEC temperatures. However, recent achievements with YLF:Yb3+ illustrate that crystalline materials may have two potentially game-changing advantajes over glassy materials. First, the crystalline environment reduces the inhomogeneous broadening of the Yb3+ electronic transitions as compared to a glassy matrix. The respective sharpening of the crystal-field transitions increases the peak absorption cross section at the laser excitation wavelength and allows for more efficient pumping of the Yb3+ ions, particularly at low temperatures. Second, many detrimental impurities present in the starting materials tend to be excluded from the crystal during its slow growth process, in contrast to a glass where all impurities present in the starting materials are included in the glass when it is formed by temperature quenching a melt. The ultra high purity required for laser cooling materials [PRB] therefore may be easier to realize in crystals than in glasses. Laser cooling occurs by laser excitation of a rare-earth ion followed by anti-Stokes luminescence. Each such laser-cooling cycle extracts thermal energy from the solid and carries it away as high-entropy light, thereby cooling the material. In the ideal case, the respective laser-cooling power is given by the pump wavelength ({lambda}{sub p}), the mean fluorescence wavelength ({bar {lambda}}{sub L}), and the absorption coefficient (a{sub r}) of the pumped transition. These quantities are solely determined by crystal field interactions. On one hand, a large crystal-field splitting offers a favorably large difference of {lambda}{sub p} - {bar {lambda}}{sub L} and thus a high cooling efficiency {eta}{sub cool} = ({lambda}{sub p} - {bar {lambda}}{sub L})/{bar {lambda}}{sub L}. On the other hand, a small crystal-field splitting offers a high thermal population (n{sub i}) of the initial state of the pumped transition, giving a high pump absorption coefficient and thus high laser cooling power, particularly at low temperatures. A quantitative description of crystal-field interactions is therefore critical to the understanding and optimization of optical refrigeration. In the case of Yb3+ as the laser cooling ion, however, development of a crystal-field model is met with substantial difficulties. First, Yb3+ has only two 4/multiplets, {sup 2}F{sub 7/2} and {sup 2}F{sub 5/2}, which lead to at most 7 crystal-field levels. This makes it difficult, and in some cases impossible, to evaluate the crystal-field Hamiltonian, which has at least 4 parameters for any Yb3+ point symmety lower than cubic. Second, {sup 2}F{sub 7/2}{leftrightarrow}{sup 2}F{sub 5/2} transitions exhibit an exceptionally strong electron-phonon coupling compared to 4f transitions of other rare earths. This makes it difficult to distinguish electronic from vibronic transitions in the absorption and luminescence spectra and to reliably identify the crystal-field levels. Yb3+ crystal-field splittings reported in the literature should thus generally be viewed with caution. This paper explores the effects of crystal-field interactions on the laser cooling performance of Yb3+-doped fluoride crystals. It is shown that the total crystal-field splitting of the {sup 2}F{sub 7/2} and {sup 2}F{sub 5/2} multiplets of Yb3+ can be estimated from crystal-field splittings of other rare-earth-doped fluoride crystals. This approach takes advantage of an extensive body of experimental work from which Yb3+ doped fluoride crystals with favorable laser cooling properties might be identified. Section 2 reviews the crystal-field splitting of the 4f electronic states and introduces the crystal-field strength as a means to predict the total crystal-field splitting of the {sup 2}F{sub 7/2} and {sup 2}F{sub 5/2} multiplets. Section 3 illustrates the effect of the total {sup 2}F{sub 7/2} crystal field splitting on the laser cooling power. Finally, Section 4 compiles literature data on crystal-field splittings in fluoride crystals from which the {sup 2}F{sub 7/2} splitting is predicted.« less

Theoretical and experimental studies of the molecular orbital bonding coefficients for Cu{sup 2+} ion in cesium hydrogen oxalate single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kalfaoğlu, Emel, E-mail: emelkalfaoglu@mynet.com; Karabulut, Bünyamin

2016-03-25

Electron paramagnetic resonance (EPR) and optical absorption spectra of Cu{sup 2+} ions in cesium hydrogen oxalate single crystals have been investigated at room temperature. The spin-Hamiltonian parameters (g and A), have been determined. Crystalline field around the Cu{sup 2+} ion is almost axially symmetric. The results show a single paramagnetic site which confirms the triclinic crystal symmetry. Molecular orbital bonding coefficients are studied from the EPR and optical data. Theoretical octahedral field parameter and the tetragonal field parameters have been evaluated from the superposition model. Using these parameters, various bonding parameters are analyzed and the nature of bonding in themore » complex is discussed. The theoretical results are supported by experimental results.« less

Theory and simulation of buoyancy-driven convection around growing protein crystals in microgravity.

PubMed

Carotenuto, L; Cartwright, J H E; Castagnolo, D; Garcia Ruiz, J M; Otalora, F

2002-01-01

We present an order-of-magnitude analysis of the Navier-Stokes equations in a time-dependent, incompressible and Boussinesq formulation. The hypothesis employed of two different length scales allows one to determine the different flow regimes on the basis of the geometrical and thermodynamical parameters alone, without solving the Navier-Stokes equations. The order-of-magnitude analysis is then applied to the field of protein crystallization, and to the flow field around a crystal, where the driving forces are solutal buoyancy-driven convection, from density dependence on species concentration, and sedimentation caused by the different densities of the crystal and the protein solution. The main result of this paper is to provide predictions of the conditions in which a crystal is growing in a convective regime, rather than in the ideal diffusive state, even under the typical microgravity conditions of space platforms.

Analysis of Electric Field Propagation in Anisotropically Absorbing and Reflecting Waveplates

NASA Astrophysics Data System (ADS)

Carnio, B. N.; Elezzabi, A. Y.

2018-04-01

Analytical expressions are derived for half-wave plates (HWPs) and quarter-wave plates (QWPs) based on uniaxial crystals. This general analysis describes the behavior of anisotropically absorbing and reflecting waveplates across the electromagnetic spectrum, which allows for correction to the commonly used equations determined assuming isotropic absorptions and reflections. This analysis is crucial to the design and implementation of HWPs and QWPs in the terahertz regime, where uniaxial crystals used for waveplates are highly birefringent and anisotropically absorbing. The derived HWP equations describe the rotation of linearly polarized light by an arbitrary angle, whereas the QWP analysis focuses on manipulating a linearly polarized electric field to obtain any ellipticity. The HWP and QWP losses are characterized by determining equations for the total electric field magnitude transmitted through these phase-retarding elements.

Primary Phase Field of the Pb-Doped 2223 High-Tc Superconductor in the (Bi, Pb)-Sr-Ca-Cu-O System

PubMed Central

Wong-Ng, W.; Cook, L. P.; Kearsley, A.; Greenwood, W.

1999-01-01

Both liquidus and subsolidus phase equilibrium data are of central importance for applications of high temperature superconductors in the (Bi, Pb)-Sr-Ca-Cu-O system, including material synthesis, melt processing and single crystal growth. The subsolidus equilibria of the 110 K high-Tc Pb-doped 2223 ([Bi, Pb], Sr, Ca, Cu) phase and the location of the primary phase field (crystallization field) have been determined in this study. For the quantitative determination of liquidus data, a wicking technique was developed to capture the melt for quantitative microchemical analysis. A total of 29 five-phase volumes that include the 2223 phase as a component was obtained. The initial melt compositions of these volumes range from a mole fraction of 7.3 % to 28.0 % for Bi, 11.3 % to 27.8 % for Sr, 1.2 % to 19.4 % for Pb, 9.8 % to 30.8 % for Ca, and 17.1 % to 47.0 % for Cu. Based on these data, the crystallization field for the 2223 phase was constructed using the convex hull technique. A section of this “volume” was obtained by holding two components of the composition at the median value, allowing projection on the other three axes to show the extent of the field.

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

NASA Astrophysics Data System (ADS)

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

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

Effect of magnetic field on the phase transition in a dusty plasma

NASA Astrophysics Data System (ADS)

Jaiswal, S.; Hall, T.; LeBlanc, S.; Mukherjee, R.; Thomas, E.

2017-11-01

The formation of a self-consistent crystalline structure is a well-known phenomenon in complex plasmas. In most experiments, the pressure and rf power are the main controlling parameters in determining the phase of the system. We have studied the effect of the externally applied magnetic field on the configuration of plasma crystals, suspended in the sheath of a radio-frequency discharge using the Magnetized Dusty Plasma Experiment device. Experiments are performed at a fixed pressure and rf power where a crystalline structure is formed within a confining ring. The magnetic field is then increased from 0 to 1.28 T. We report on the breakdown of the crystalline structure with the increasing magnetic field. The magnetic field affects the dynamics of the plasma particles and first leads to a rotation of the crystal. At a higher magnetic field, there is a radial variation (shear) in the angular velocity of the moving particles which we believe to lead to the melting of the crystal. This melting is confirmed by evaluating the variation of the pair correlation function as a function of magnetic field.

Electron paramagnetic resonance of gamma-irradiated single crystals of 3-nitroacetanilide

NASA Astrophysics Data System (ADS)

Aşik, Biray

2008-06-01

The electron paramagnetic resonance of single crystals of 3-nitroacetanilide has been observed and analyzed for different orientations of the crystal in the magnetic field, after being damaged at 300 K by γ-irradiation. The crystals have been investigated between 123 and 300 K. The spectra were found to be temperature independent. The irradiation of 3-nitroacetanilide by γ-rays produces radicals at the nitrogen atoms in the molecule. The principal values of the hyperfine coupling tensor of the unpaired electron and the principal values of the g-tensor were determined.

Coarse-grained modeling of crystal growth and polymorphism of a model pharmaceutical molecule.

PubMed

Mandal, Taraknath; Marson, Ryan L; Larson, Ronald G

2016-10-04

We describe a systematic coarse-graining method to study crystallization and predict possible polymorphs of small organic molecules. In this method, a coarse-grained (CG) force field is obtained by inverse-Boltzmann iteration from the radial distribution function of atomistic simulations of the known crystal. With the force field obtained by this method, we show that CG simulations of the drug phenytoin predict growth of a crystalline slab from a melt of phenytoin, allowing determination of the fastest-growing surface, as well as giving the correct lattice parameters and crystal morphology. By applying meta-dynamics to the coarse-grained model, a new crystalline form of phenytoin (monoclinic, space group P2 1 ) was predicted which is different from the experimentally known crystal structure (orthorhombic, space group Pna2 1 ). Atomistic simulations and quantum calculations then showed the polymorph to be meta-stable at ambient temperature and pressure, and thermodynamically more stable than the conventional orthorhombic crystal at high pressure. The results suggest an efficient route to study crystal growth of small organic molecules that could also be useful for identification of possible polymorphs as well.

Optical properties of Mn 2+ in KCaF 3 single crystal

NASA Astrophysics Data System (ADS)

Mazurak, Z.; Ratuszna, A.; Daniel, Ph.

1999-02-01

It is known that the spectroscopic properties of 3d impurities in crystals are very sensitive to the environment of the ion and can be changed considerably by using different matrices. The crystal structure of KCaF 3 has been previously determined by the Rietveld profile method. At room temperature, KCa 1- xMn xF 3 ( x<0.1) crystallizes in monoclinic C2 h ( B2 1/ m) symmetry. The local geometries around Mn 2+ in this crystals, in their ground and excited states, are the primary properties that govern the spectroscopic behavior of these systems, which enjoy of fundamental and technological interest. The present work reports the absorption and luminescence spectra of the Mn 2+-doped KCaF 3 (fluoroperovskite). The luminescence spectra recorded over a range of temperatures are dominated by wide bands, corresponding to the 4T 1(G)→ 6A 1(G), Mn 2+ transition. The lifetime ( τ= f( T)) of the first excited state 4T 1(G) was measured as a function of temperature. The lifetime of the Mn 2+ emission, in this crystal have been found to be temperature independent ( τ<7 μs). The absorption and emission spectra of Mn 2+ (3d 5) in KCaF 3 are analyzed using a C4 crystal-field hamiltonian. The calculated energy levels are in good agreement with those obtained experimentally. The resulting crystal-field parameters Bnm are a good representation of the crystal-field interactions of Mn 2+ in KCaF 3.

Membrane protein structure determination — The next generation☆☆☆

PubMed Central

Moraes, Isabel; Evans, Gwyndaf; Sanchez-Weatherby, Juan; Newstead, Simon; Stewart, Patrick D. Shaw

2014-01-01

The field of Membrane Protein Structural Biology has grown significantly since its first landmark in 1985 with the first three-dimensional atomic resolution structure of a membrane protein. Nearly twenty-six years later, the crystal structure of the beta2 adrenergic receptor in complex with G protein has contributed to another landmark in the field leading to the 2012 Nobel Prize in Chemistry. At present, more than 350 unique membrane protein structures solved by X-ray crystallography (http://blanco.biomol.uci.edu/mpstruc/exp/list, Stephen White Lab at UC Irvine) are available in the Protein Data Bank. The advent of genomics and proteomics initiatives combined with high-throughput technologies, such as automation, miniaturization, integration and third-generation synchrotrons, has enhanced membrane protein structure determination rate. X-ray crystallography is still the only method capable of providing detailed information on how ligands, cofactors, and ions interact with proteins, and is therefore a powerful tool in biochemistry and drug discovery. Yet the growth of membrane protein crystals suitable for X-ray diffraction studies amazingly remains a fine art and a major bottleneck in the field. It is often necessary to apply as many innovative approaches as possible. In this review we draw attention to the latest methods and strategies for the production of suitable crystals for membrane protein structure determination. In addition we also highlight the impact that third-generation synchrotron radiation has made in the field, summarizing the latest strategies used at synchrotron beamlines for screening and data collection from such demanding crystals. This article is part of a Special Issue entitled: Structural and biophysical characterisation of membrane protein-ligand binding. PMID:23860256

Characterization of the dynamics of surface stabilized ferroelectric liquid crystal under electric field by full optical snapshot matrix Mueller polarimeter

NASA Astrophysics Data System (ADS)

Silva, Vinicius N. H.; Babilotte, Philippe; Rivet, Sylvain; Dubreuil, Mathieu; Le Jeune, Bernard; Dupont, Laurent

2012-12-01

We investigated the layer dynamics of a conventional surface-stabilized ferroelectric liquid crystal (SSFLC) using a full-optical snapshot Mueller matrix polarimeter (SMMP) based on wavelength polarization coding. Time-resolved polarimetric measurements were performed with different SSFLC samples, and a strong correlation between the polarimetric parameters and the SSFLC under electric field at different exposure times was found. It has been shown that the SMMP polarimeter is able to determine the evolution of the trajectory of the liquid crystal director between the two addressed states, the reversible motion of the smectic layer while switching, as well as the irreversible transition from chevron to bookshelf texture.

Characterization of depolarizing fringing fields of a liquid crystal spatial light modulator for laser beam steering

NASA Astrophysics Data System (ADS)

Haellstig, Emil J.; Martin, Torleif; Stigwall, Johan; Sjoqvist, Lars; Lindgren, Mikael

2004-02-01

A commercial linear one-dimensional, 1x4096 pixels, zero-twist nematic liquid crystal spatial light modulator (SLM), giving more than 2π phase modulation at λ = 850 nm, was evaluated for beam steering applications. The large ratio (7:1) between the liquid crystal layer thickness and pixel width gives rise to voltage leakage and fringing fields between pixels. Due to the fringing fields the ideal calculated phase patterns cannot be perfectly realized by the device. Losses in high frequency components in the phase patterns were found to limit the maximum deflection angle. The inhomogeneous optical anisotropy of the SLM was determined by modelling of the liquid crystal director distribution within the electrode-pixel structure. The effects of the fringing fields on the amplitude and phase modulation were studied by full vector finite-difference time-domain simulations. It was found that the fringing fields also resulted in coupling into an unwanted polarization mode. Measurements of how this mode coupling affects the beam steering quality were carried out and the results compared with calculated results. A method to compensate for the fringing field effects is discussed and it is shown how the usable steering range of the SLM can be extended to +/- 2 degrees.

In situ determination of crystal structure and chemistry of minerals at Earth's deep lower mantle conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yuan, Hongsheng; Zhang, Li

Recent advances in experimental techniques and data processing allow in situ determination of mineral crystal structure and chemistry up to Mbar pressures in a laser-heated diamond anvil cell (DAC), providing the fundamental information of the mineralogical constitution of our Earth's interior. This work highlights several recent breakthroughs in the field of high-pressure mineral crystallography, including the stability of bridgmanite, the single-crystal structure studies of post-perovskite and H-phase as well as the identification of hydrous minerals and iron oxides in the deep lower mantle. The future development of high-pressure crystallography is also discussed.

Characterization of iron-doped lithium niobate for holographic storage applications

NASA Technical Reports Server (NTRS)

Shah, R. R.; Kim, D. M.; Rabson, T. A.; Tittel, F. K.

1976-01-01

A comprehensive characterization of chemical and holographic properties of eight systematically chosen Fe:LiNbO3 crystals is performed in order to determine optimum performance of the crystals in holographic storage and display applications. The discussion covers determination of Fe(2+) and Fe(3+) ion concentrations in Fe:LiNbO3 system from optical absorption and EPR measurements; establishment of the relation between the photorefractive sensitivity of Fe(2+) and Fe(3+) concentrations; study of the spectral dependence, the effect of oxygen annealing, and of other impurities on the photorefractive sensitivity; analysis of the diffraction efficiency curves for different crystals and corresponding sensitivities with the dynamic theory of hologram formation; and determination of the bulk photovoltaic fields as a function of Fe(2+) concentrations. In addition to the absolute Fe(2+) concentration, the relative concentrations of Fe(2+) and Fe(3+) ions are also important in determining the photorefractive sensitivity. There exists an optimal set of crystal characteristics for which the photorefractive sensitivity is most favorable.

Three-dimensional modelling of thermal stress in floating zone silicon crystal growth

NASA Astrophysics Data System (ADS)

Plate, Matiss; Krauze, Armands; Virbulis, Jānis

2018-05-01

During the growth of large diameter silicon single crystals with the industrial floating zone method, undesirable level of thermal stress in the crystal is easily reached due to the inhomogeneous expansion as the crystal cools down. Shapes of the phase boundaries, temperature field and elastic material properties determine the thermal stress distribution in the solid mono crystalline silicon during cylindrical growth. Excessive stress can lead to fracture, generation of dislocations and altered distribution of intrinsic point defects. Although appearance of ridges on the crystal surface is the decisive factor of a dislocation-free growth, the influence of these ridges on the stress field is not completely clear. Here we present the results of thermal stress analysis for 4” and 5” diameter crystals using a quasi-stationary three dimensional mathematical model including the material anisotropy and the presence of experimentally observed ridges which cannot be addressed with axis-symmetric models. The ridge has a local but relatively strong influence on thermal stress therefore its relation to the origin of fracture is hypothesized. In addition, thermal stresses at the crystal rim are found to increase for a particular position of the crystal radiation reflector.

Prediction and theoretical characterization of p-type organic semiconductor crystals for field-effect transistor applications.

PubMed

Atahan-Evrenk, Sule; Aspuru-Guzik, Alán

2014-01-01

The theoretical prediction and characterization of the solid-state structure of organic semiconductors has tremendous potential for the discovery of new high performance materials. To date, the theoretical analysis mostly relied on the availability of crystal structures obtained through X-ray diffraction. However, the theoretical prediction of the crystal structures of organic semiconductor molecules remains a challenge. This review highlights some of the recent advances in the determination of structure-property relationships of the known organic semiconductor single-crystals and summarizes a few available studies on the prediction of the crystal structures of p-type organic semiconductors for transistor applications.

Reduction of Defects in Germanium-Silicon

NASA Technical Reports Server (NTRS)

Szofran, Frank R.; Benz, K. W.; Croell, Arne; Dold, Peter; Cobb, Sharon D.; Volz, Martin P.; Motakef, Shariar; Walker, John S.

1999-01-01

It is well established that crystals grown without contact with a container have far superior quality to otherwise similar crystals grown in direct contact with a container. In addition to float-zone processing, detached-Bridgman growth is often cited as a promising tool to improve crystal quality, without the limitations of float zoning. Detached growth has been found to occur quite often during microgravity experiments and considerable improvements of crystal quality have been reported for those cases. However, no thorough understanding of the process or quantitative assessment of the quality improvements exists so far. This project will determine the means to reproducibly grow Ge-Si alloys in the detached mode. Specific objectives include: (1) measurement of the relevant material parameters such as contact angle, growth angle, surface tension, and wetting behavior of the GeSi-melt on potential crucible materials; (2) determination of the mechanism of detached growth including the role of convection; (3) quantitative determination of the differences of defects and impurities among normal Bridgman, detached Bridgman, and floating zone (FZ) growth; (4) investigation of the influence of defined azimuthal or meridional flow due to rotating magnetic fields on the characteristics of detached growth; (5) control time-dependent Marangoni convection in the case of FZ-growth by the use of a rotating magnetic field to examine the influence on the curvature of the solid-liquid interface and the heat and mass transport; and (6) grow high quality GeSi-single crystals with Si-concentration up to 10 at% and diameters up to 20 mm.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davaasuren, Bambar; Dashjav, Enkhtsetseg; Kreiner, Guido

The carboferrates RE{sub 15}[Fe{sub 8}C{sub 25}] (RE=Dy, Ho) were prepared from mixtures of the elements by arc-melting followed with subsequent annealing at 1373 K. The crystal structures were determined from single crystal X-ray diffraction data and revealed an isotypic relationship to Er{sub 15}[Fe{sub 8}C{sub 25}] (hP48, P321). The main feature of the crystal structure is given by Fe{sub 6} cluster units characterized by covalent Fe–Fe bonding interactions. {sup 57}Fe Mössbauer spectra of Dy{sub 15}[Fe{sub 8}C{sub 25}] were fitted by three subspectra with relative spectral weights of about 3:3:2 which is in general agreement with the crystal structure. Below 50 K,more » an onset of magnetic hyperfine fields at the three iron sites is observed which is supposed to be caused by dipolar fields arising from neighboring, slowly relaxing Dy magnetic moments. - Graphical abstract: Fe{sub 6}-cluster in the crystal structure of RE{sub 15}[Fe{sub 8}C{sub 25}], RE=Dy, Ho. - Highlights: • New carboferrates RE{sub 15}[Fe{sub 8}C{sub 25}] with RE=Dy, Ho have been synthesized. • The crystal structures were refined using single crystal X-ray data. • An orientational relationship between Fe{sub 6}-clusters and Fe in γ-Fe is outlined. • {sup 57}Fe Mössbauer spectra are in agreement with structural data from X-rays. • Magnetic hyperfine fields below 50 K are explained by dipolar fields from Dy atoms.« less

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 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.

Determination of the orbital moment and crystal-field splitting in LaTiO3.

PubMed

Haverkort, M W; Hu, Z; Tanaka, A; Ghiringhelli, G; Roth, H; Cwik, M; Lorenz, T; Schüssler-Langeheine, C; Streltsov, S V; Mylnikova, A S; Anisimov, V I; de Nadai, C; Brookes, N B; Hsieh, H H; Lin, H-J; Chen, C T; Mizokawa, T; Taguchi, Y; Tokura, Y; Khomskii, D I; Tjeng, L H

2005-02-11

Utilizing a sum rule in a spin-resolved photoelectron spectroscopic experiment with circularly polarized light, we show that the orbital moment in LaTiO3 is strongly reduced from its ionic value, both below and above the Ne el temperature. Using Ti L2,3 x-ray absorption spectroscopy as a local probe, we found that the crystal-field splitting in the t2g subshell is about 0.12-0.30 eV. This large splitting does not facilitate the formation of an orbital liquid.

Crystal field parameters in UCI 4: Experiment versus theory

NASA Astrophysics Data System (ADS)

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

1984-08-01

Crystal field effect on U 4+ ion with the 3H 4 ground term in tetragonal ligand field of UCl 4 has been studied in detail. Crystal field parameters determined experimentally from optical spectroscopy and magnetic susceptibility are in good agreement with CFP sets derived from the modified point charge model and the ab initio method. Theoretical calculations lead to overestimating the A44< r4> and lowering the A02< r2> values in comparison to those found in the experiments. The discrepancies are, however, within an accuracy of calculations. A large reduction of expectation values of the magnetic moment operator for the eigenvectors of lowest CF levels (17.8%), determined from magnetic susceptibility, cannot be attributed to the overlap and covalency effects only. The detailed calculations have shown that the latter effects provide about 4.6% reduction of respective matrix elements, and the applied J-J mixing procedure increases this factor up to 6.5%. Since similar, as in UCl 4, reduction factor(≈15%) has already been observed in a number of different uranium compounds, it seems likely that this feature is involved in the intrinsic properties of the U 4+ ion. We endeavor to explain this effect in terms of configuration interaction mechanisms.

Energy levels and optical properties of neodymium-doped barium fluorapatite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stefanos, Sennay M.; Bonner, Carl E. Jr.; Meegoda, Chandana

Energy levels of the 4f{sup 3} electronic configuration of Nd{sup 3+} in barium fluorapatite, Ba{sub 5}(PO{sub 4}){sub 3}F(B-FAP) have been determined from polarized absorption and fluorescence spectra using crystals at 8 K. Experimental energy-level assignments were made initially by comparing the crystal spectra energy levels with those obtained from those previously reported for Nd{sup 3+} in strontium fluorapatite and fluorapatite. The initial crystal-field parameters were calculated by using lattice summation techniques. The crystal-field parameters were varied to obtain a best fit between experimental and theoretical energies and the final values give a root-mean-square deviation of 7.1 cm-1. The odd-fold crystal-fieldmore » components are used to calculate the emission intensities and lifetimes of the Nd{sup 3+} ions in B-FAP. These calculations yield results in good agreement with the experimental measurements of the absorption and emission cross sections and lifetimes. (c) 2000 American Institute of Physics.« less

Magnetic Torque in Single Crystal Ni-Mn-Ga

NASA Astrophysics Data System (ADS)

Hobza, Anthony; Müllner, Peter

2017-06-01

Magnetic shape memory alloys deform in an external magnetic field in two distinct ways: by axial straining—known as magnetic-field-induced strain—and by bending when exposed to torque. Here, we examine the magnetic torque that a magnetic field exerts on a long Ni-Mn-Ga rod. A single crystal specimen of Ni-Mn-Ga was constrained with respect to bending and subjected to an external magnetic field. The torque required to rotate the specimen in the field was measured as a function of the orientation of the sample with the external magnetic field, strain, and the magnitude of the external magnetic field. The torque was analyzed based on the changes in the free energy with the angle between the field and the sample. The contributions of magnetocrystalline anisotropy and shape anisotropy to the Zeeman energy determine the net torque. The torque is large when magneotcrystalline and shape anisotropies act synergistically and small when these anisotropies act antagonistically.

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

PubMed Central

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

2016-01-01

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

Effects of flow on the dynamics of a ferromagnetic nematic liquid crystal

NASA Astrophysics Data System (ADS)

Potisk, Tilen; Pleiner, Harald; Svenšek, Daniel; Brand, Helmut R.

2018-04-01

We investigate the effects of flow on the dynamics of ferromagnetic nematic liquid crystals. As a model, we study the coupled dynamics of the magnetization, M , the director field, n , associated with the liquid crystalline orientational order, and the velocity field, v . We evaluate how simple shear flow in a ferromagnetic nematic is modified in the presence of small external magnetic fields, and we make experimentally testable predictions for the resulting effective shear viscosity: an increase by a factor of 2 in a magnetic field of about 20 mT. Flow alignment, a characteristic feature of classical uniaxial nematic liquid crystals, is analyzed for ferromagnetic nematics for the two cases of magnetization in or perpendicular to the shear plane. In the former case, we find that small in-plane magnetic fields are sufficient to suppress tumbling and thus that the boundary between flow alignment and tumbling can be controlled easily. In the latter case, we furthermore find a possibility of flow alignment in a regime for which one obtains tumbling for the pure nematic component. We derive the analogs of the three Miesowicz viscosities well-known from usual nematic liquid crystals, corresponding to nine different configurations. Combinations of these can be used to determine several dynamic coefficients experimentally.

EPR, optical and modeling of Mn(2+) doped sarcosinium oxalate monohydrate.

PubMed

Kripal, Ram; Singh, Manju

2015-01-25

Electron paramagnetic resonance (EPR) study of Mn(2+) ions doped in sarcosinium oxalate monohydrate (SOM) single crystal is done at liquid nitrogen temperature (LNT). EPR spectrum shows a bunch of five fine structure lines and further they split into six hyperfine components. Only one interstitial site was observed. With the help of EPR spectra the spin Hamiltonian parameters including zero field splitting (ZFS) parameters are evaluated. The optical absorption study at room temperature is also done in the wavelength range 195-1100 nm. From this study cubic crystal field splitting parameter, Dq=730 cm(-1) and Racah inter-electronic repulsion parameters B=792 cm(-1), C=2278 cm(-1) are determined. ZFS parameters D and E are also calculated using crystal field parameters from superposition model and microscopic spin Hamiltonian theory. The calculated ZFS parameter values are in good match with the experimental values obtained by EPR. Copyright © 2014 Elsevier B.V. All rights reserved.

Characterising laser beams with liquid crystal displays

NASA Astrophysics Data System (ADS)

Dudley, Angela; Naidoo, Darryl; Forbes, Andrew

2016-02-01

We show how one can determine the various properties of light, from the modal content of laser beams to decoding the information stored in optical fields carrying orbital angular momentum, by performing a modal decomposition. Although the modal decomposition of light has been known for a long time, applied mostly to pattern recognition, we illustrate how this technique can be implemented with the use of liquid-crystal displays. We show experimentally how liquid crystal displays can be used to infer the intensity, phase, wavefront, Poynting vector, and orbital angular momentum density of unknown optical fields. This measurement technique makes use of a single spatial light modulator (liquid crystal display), a Fourier transforming lens and detector (CCD or photo-diode). Such a diagnostic tool is extremely relevant to the real-time analysis of solid-state and fibre laser systems as well as mode division multiplexing as an emerging technology in optical communication.

Effect of magnetic field on the phase transition in dusty plasma

NASA Astrophysics Data System (ADS)

Jaiswal, Surabhi; Thomas, Edward; Mukherjee, Rupak

2017-10-01

The formation of self-consistent crystalline structure is a well-known phenomenon in complex plasmas. In most experiments the pressure and rf power are the main controlling parameter in determining the phase of the system. We have studied the effect of externally applied magnetic field on the configuration of plasma crystals, suspended in the sheath of a radio-frequency discharge using the Magnetized Dusty Plasma Experiment (MDPX) device. Experiments are performed at a fixed pressure and rf power where a crystalline structure formed within the confining ring, but ramping the magnetic field up to 1.28 T. We report on the breakdown of the crystalline structure with increasing magnetic field. The magnetic field affects the dynamics of the plasma particles and first leads to a rotation of the crystal. At higher magnetic field, there is a radial variation (shear) in the angular velocity of the moving particles which we believe leads to the melting of the crystal. This melting is confirmed by evaluating the variation of the pair correlation function as a function of magnetic field. This work was supported by the US Dept. of Energy, DE - SC0010485.

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 (T c ) 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.

Optical trapping of metal-dielectric nanoparticle clusters near photonic crystal microcavities.

PubMed

Mejia, Camilo A; Huang, Ningfeng; Povinelli, Michelle L

2012-09-01

We predict the formation of optically trapped, metal-dielectric nanoparticle clusters above photonic crystal microcavities. We determine the conditions on particle size and position for a gold particle to be trapped above the microcavity. We then show that strong field redistribution and enhancement near the trapped gold nanoparticle results in secondary trapping sites for a pair of dielectric nanoparticles.

Electro-optic studies of novel organic materials and devices

NASA Astrophysics Data System (ADS)

Xu, Jianjun

1997-11-01

Specific single crystal organic materials have high potential for use in high speed optical signal processing and various other electro-optic applications. In this project some of the most important organic crystal materials were studied regarding their detailed electro- optic properties and potential device applications. In particular, the electro-optic properties of N-(4- Nitrophenyl)-L-Prolinol (NPP) and 4'-N,N- dimethylamino-4-methylstilbazolium tosylate (DAST) both of which have extremely large second order susceptibilites were studied. The orientation of the thin film crystal with respect to the substrate surface was determined using-X-ray diffraction. The principal axes of the single crystal thin film were determined by polarization transmission microscopy. The elements of the electro-optic coefficient tensor were measured by field induced birefringence measurements. Detailed measurements for NPP thin films with different orientations of the external electric field with respect to the charge transfer axis were carried out at a wavelength of 1064nm. The wavelength dependence of the electro-optic effect for DAST single crystal thin films was measured using a Ti:Sapphire laser. Several device geometries involving organic single crystal thin film materials were studied. A new method for the fabrication of channel waveguides for organic materials was initiated. Channel waveguides for NPP and ABP were obtained using this methods. Optical modulation due to the electro-optic effect based on the organic channel waveguide for NPP single crystal was demonstrated. The electro-optic modulation using NPP single crystals thin film in a Fabry-Perot cavity was measured. A device using a optical fiber half coupler and organic electro-optic thin film material was constructed, and it has potential applications in optical signal processing.

A Multiscale Computational Model Combining a Single Crystal Plasticity Constitutive Model with the Generalized Method of Cells (GMC) for Metallic Polycrystals.

PubMed

Ghorbani Moghaddam, Masoud; Achuthan, Ajit; Bednarcyk, Brett A; Arnold, Steven M; Pineda, Evan J

2016-05-04

A multiscale computational model is developed for determining the elasto-plastic behavior of polycrystal metals by employing a single crystal plasticity constitutive model that can capture the microstructural scale stress field on a finite element analysis (FEA) framework. The generalized method of cells (GMC) micromechanics model is used for homogenizing the local field quantities. At first, the stand-alone GMC is applied for studying simple material microstructures such as a repeating unit cell (RUC) containing single grain or two grains under uniaxial loading conditions. For verification, the results obtained by the stand-alone GMC are compared to those from an analogous FEA model incorporating the same single crystal plasticity constitutive model. This verification is then extended to samples containing tens to hundreds of grains. The results demonstrate that the GMC homogenization combined with the crystal plasticity constitutive framework is a promising approach for failure analysis of structures as it allows for properly predicting the von Mises stress in the entire RUC, in an average sense, as well as in the local microstructural level, i.e. , each individual grain. Two-three orders of saving in computational cost, at the expense of some accuracy in prediction, especially in the prediction of the components of local tensor field quantities and the quantities near the grain boundaries, was obtained with GMC. Finally, the capability of the developed multiscale model linking FEA and GMC to solve real-life-sized structures is demonstrated by successfully analyzing an engine disc component and determining the microstructural scale details of the field quantities.

A Multiscale Computational Model Combining a Single Crystal Plasticity Constitutive Model with the Generalized Method of Cells (GMC) for Metallic Polycrystals

PubMed Central

Ghorbani Moghaddam, Masoud; Achuthan, Ajit; Bednarcyk, Brett A.; Arnold, Steven M.; Pineda, Evan J.

2016-01-01

A multiscale computational model is developed for determining the elasto-plastic behavior of polycrystal metals by employing a single crystal plasticity constitutive model that can capture the microstructural scale stress field on a finite element analysis (FEA) framework. The generalized method of cells (GMC) micromechanics model is used for homogenizing the local field quantities. At first, the stand-alone GMC is applied for studying simple material microstructures such as a repeating unit cell (RUC) containing single grain or two grains under uniaxial loading conditions. For verification, the results obtained by the stand-alone GMC are compared to those from an analogous FEA model incorporating the same single crystal plasticity constitutive model. This verification is then extended to samples containing tens to hundreds of grains. The results demonstrate that the GMC homogenization combined with the crystal plasticity constitutive framework is a promising approach for failure analysis of structures as it allows for properly predicting the von Mises stress in the entire RUC, in an average sense, as well as in the local microstructural level, i.e., each individual grain. Two–three orders of saving in computational cost, at the expense of some accuracy in prediction, especially in the prediction of the components of local tensor field quantities and the quantities near the grain boundaries, was obtained with GMC. Finally, the capability of the developed multiscale model linking FEA and GMC to solve real-life-sized structures is demonstrated by successfully analyzing an engine disc component and determining the microstructural scale details of the field quantities. PMID:28773458

Multi-Scale Computational Modeling of Two-Phased Metal Using GMC Method

NASA Technical Reports Server (NTRS)

Moghaddam, Masoud Ghorbani; Achuthan, A.; Bednacyk, B. A.; Arnold, S. M.; Pineda, E. J.

2014-01-01

A multi-scale computational model for determining plastic behavior in two-phased CMSX-4 Ni-based superalloys is developed on a finite element analysis (FEA) framework employing crystal plasticity constitutive model that can capture the microstructural scale stress field. The generalized method of cells (GMC) micromechanics model is used for homogenizing the local field quantities. At first, GMC as stand-alone is validated by analyzing a repeating unit cell (RUC) as a two-phased sample with 72.9% volume fraction of gamma'-precipitate in the gamma-matrix phase and comparing the results with those predicted by finite element analysis (FEA) models incorporating the same crystal plasticity constitutive model. The global stress-strain behavior and the local field quantity distributions predicted by GMC demonstrated good agreement with FEA. High computational saving, at the expense of some accuracy in the components of local tensor field quantities, was obtained with GMC. Finally, the capability of the developed multi-scale model linking FEA and GMC to solve real life sized structures is demonstrated by analyzing an engine disc component and determining the microstructural scale details of the field quantities.

Type-I superconductivity in YbSb2 single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Liang L.; Lausberg, Stefan; Kim, Hyunsoo

2012-06-25

We present evidence of type-I superconductivity in YbSb2 single crystals from dc and ac magnetization, heat capacity, and resistivity measurements. The critical temperature and critical field are determined to be Tc≈ 1.3 K and Hc≈ 55 Oe. A small Ginzburg-Landau parameter κ= 0.05, together with typical magnetization isotherms of type-I superconductors, small critical field values, a strong differential paramagnetic effect signal, and a field-induced change from second- to first-order phase transition, confirms the type-I nature of the superconductivity in YbSb2. A possible second superconducting state is observed in the radio-frequency susceptibility measurements, with Tc(2)≈ 0.41 K and Hc(2)≈ 430 Oe.

Calorimetric determination of the magnetic phase diagram of underdoped ortho II YBa2Cu3O6.54 single crystals

PubMed Central

Marcenat, C.; Demuer, A.; Beauvois, K.; Michon, B.; Grockowiak, A.; Liang, R.; Hardy, W.; Bonn, D. A.; Klein, T.

2015-01-01

The recent discovery of a charge order in underdoped YBa2Cu3Oy raised the question of the interplay between superconductivity and this competing phase. Understanding the normal state of high-temperature superconductors is now an essential step towards the description of the pairing mechanism in those materials and determining the upper critical field is therefore of fundamental importance. We present here a calorimetric determination of the field–temperature phase diagram in underdoped YBa2Cu3Oy single crystals. We show that the specific heat saturates in high magnetic fields. This saturation is consistent with a normal state without any significant superconducting contribution and a total Sommerfeld coefficient γN∼6.5±1.5 mJ mol−1 K−2 putting strong constraints on the theoretical models for the Fermi surface reconstruction. PMID:26294047

Crystal structure of minoxidil at low temperature and polymorph prediction.

PubMed

Martín-Islán, Africa P; Martín-Ramos, Daniel; Sainz-Díaz, C Ignacio

2008-02-01

An experimental and theoretical investigation on crystal forms of the popular and ubiquitous pharmaceutical Minoxidil is presented here. A new crystallization method is presented for Minoxidil (6-(1-piperidinyl)-2,4-pyrimidinediamide 3-oxide) in ethanol-poly(ethylene glycol), yielding crystals with good quality. The crystal structure is determined at low temperature, with a final R value of 0.035, corresponding to space group P2(1) (monoclinic) with cell dimensions a = 9.357(1) A, b = 8.231(1) A, c = 12.931(2) A, and beta = 90.353(4) degrees . Theoretical calculations of the molecular structure of Minoxidil are set forward using empirical force fields and quantum-mechanical methods. A theoretical prediction for Minoxidil crystal structure shows many possible polymorphs. The predicted crystal structures are compared with X-ray experimental data obtained in our laboratory, and the experimental crystal form is found to be one of the lowest energy polymorphs.

Reduction of Defects in Germanium-Silicon

NASA Technical Reports Server (NTRS)

Szofran, Frank R.; Benz, K. W.; Cobb, Sharon D.; Croell, Anne; Dold, P.; Motafef, S.; Schweizer, M.; Volz, Martin P.; Walker, J. S.

2003-01-01

Crystals grown without being in contact with a container have superior quality to otherwise similar crystals grown in direct contact with a container, especially with respect to impurity incorporation, formation of dislocations, and residual stress in the crystals. In addition to float-zone processing, detached Bridgman growth, although not a completely crucible-free method, is a promising tool to improve crystal quality. It does not suffer from the size limitations of float zoning and the impact of thermocapillary convection on heat and mass transport is expected to be negligible. Detached growth has been observed frequently during g experiments. Considerable improvements in crystalline quality have been reported for these cases. However, neither a thorough understanding of the process nor a quantitative assessment of the quality of these improvements exists. This project will determine the means to reproducibly grow GeSi alloys in a detached mode and seeks to compare processing-induced defects in Bridgman, detached-Bridgman, and floating-zone growth configurations in GeSi crystals (Si less than or equal to 10 at%) up to 20mm in diameter. Specific objectives include: measurement of the relevant material parameters such as contact angle, growth angle, surface tension, and wetting behavior of the GeSi-melt on potential crucible materials; determination of the mechanism of detached growth including the role of convection; quantitative determination of the differences in defects and impurities for crystals grown using normal Bridgman, detached Bridgman, and floating zone (FZ) methods; investigation of the influence of a defined flow imposed by a rotating magnetic field on the characteristics of detached growth; control of time-dependent Marangoni convection in the case of FZ growth by the use of a rotating magnetic field to examine the influence on the curvature of the solid-liquid interface and the heat and mass transport; and growth of benchmark quality GeSi-single crystals.

Nanosecond liquid crystalline optical modulator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Borshch, Volodymyr; Shiyanovskii, Sergij V.; Lavrentovich, Oleg D.

2016-07-26

An optical modulator includes a liquid crystal cell containing liquid crystal material having liquid crystal molecules oriented along a quiescent director direction in the unbiased state, and a voltage source configured to apply an electric field to the liquid crystal material wherein the direction of the applied electric field does not cause the quiescent director direction to change. An optical source is arranged to transmit light through or reflect light off the liquid crystal cell with the light passing through the liquid crystal material at an angle effective to undergo phase retardation in response to the voltage source applying themore » electric field. The liquid crystal material may have negative dielectric anisotropy, and the voltage source configured to apply an electric field to the liquid crystal material whose electric field vector is transverse to the quiescent director direction. Alternatively, the liquid crystal material may have positive dielectric anisotropy and the voltage source configured to apply an electric field to the liquid crystal material whose electric field vector is parallel with the quiescent director direction.« less

Limitation of Liquid Crystal on Silicon Spatial Light Modular for Holographic Three-dimensional Displays

NASA Technical Reports Server (NTRS)

Wang, Xinghua; Wang, Bin; Bos, Philip J.; Anderson, James E.; Kujawinska, Malgorzata; Pouch, John; Miranda, Feliz

2004-01-01

In a 3-D display system based on an opto-electronic reconstruction of a digitally recorded hologram, the field of view of such a system is limited by the spatial resolution of the liquid crystal on silicon (LCOS) spatial light modular (SLM) used to perform the opto-electronic reconstruction. In this article, the special resolution limitation of LCOS SLM associated with the fringe field effect and interpixel coupling is determined by the liquid crystal detector simulation and the Finite Difference Time Domain (FDTD) simulation. The diffraction efficiency loss associated with the imperfection in the phase profile is studied with an example of opto-electronic reconstruction of an amplitude object. A high spatial resolution LCOS SLM with a wide reconstruction angle is proposed.

Modelling morphology evolution during solidification of IPP in processing conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pantani, R., E-mail: rpantani@unisa.it, E-mail: fedesantis@unisa.it, E-mail: vsperanza@unisa.it, E-mail: gtitomanlio@unisa.it; De Santis, F., E-mail: rpantani@unisa.it, E-mail: fedesantis@unisa.it, E-mail: vsperanza@unisa.it, E-mail: gtitomanlio@unisa.it; Speranza, V., E-mail: rpantani@unisa.it, E-mail: fedesantis@unisa.it, E-mail: vsperanza@unisa.it, E-mail: gtitomanlio@unisa.it

During polymer processing, crystallization takes place during or soon after flow. In most of cases, the flow field dramatically influences both the crystallization kinetics and the crystal morphology. On their turn, crystallinity and morphology affect product properties. Consequently, in the last decade, researchers tried to identify the main parameters determining crystallinity and morphology evolution during solidification In processing conditions. In this work, we present an approach to model flow-induced crystallization with the aim of predicting the morphology after processing. The approach is based on: interpretation of the FIC as the effect of molecular stretch on the thermodynamic crystallization temperature; modelingmore » the molecular stretch evolution by means of a model simple and easy to be implemented in polymer processing simulation codes; identification of the effect of flow on nucleation density and spherulites growth rate by means of simple experiments; determination of the condition under which fibers form instead of spherulites. Model predictions reproduce most of the features of final morphology observed in the samples after solidification.« less

Spatial resolution limitation of liquid crystal spatial light modulator

NASA Astrophysics Data System (ADS)

Wang, Xinghua; Wang, Bin; McManamon, Paul F., III; Pouch, John J.; Miranda, Felix A.; Anderson, James E.; Bos, Philip J.

2004-10-01

The effect of fringing electric fields in a liquid crystal (LC) Optical Phased Array (OPA), also referred to as a spatial light modulator (SLM), is a governing factor that determines the diffraction efficiency (DE) of the LC OPA for high resolution spatial phase modulation. In this article, the fringing field effect in a high resolution LC OPA is studied by accurate modeling the DE of the LC blazed gratings by LC director simulation and Finite Difference Time Domain (FDTD) simulation. Influence factors that contribute significantly to the DE are discussed. Such results provide fundamental understanding for high resolution LC devices.

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

NASA Astrophysics Data System (ADS)

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

2013-09-01

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

Micro-beam Laue alignment of multi-reflection Bragg coherent diffraction imaging measurements

DOE PAGES

Hofmann, Felix; Phillips, Nicholas W.; Harder, Ross J.; ...

2017-08-08

Multi-reflection Bragg coherent diffraction imaging has the potential to allow three-dimensional (3D) resolved measurements of the full lattice strain tensor in specific micro-crystals. Until now such measurements were hampered by the need for laborious, time-intensive alignment procedures. Here, in this paper, a different approach is demonstrated, using micro-beam Laue X-ray diffraction to first determine the lattice orientation of the micro-crystal. This information is then used to rapidly align coherent diffraction measurements of three or more reflections from the crystal. Based on these, 3D strain and stress fields in the crystal are successfully determined. This approach is demonstrated on a focusedmore » ion beam milled micro-crystal from which six reflections could be measured. Since information from more than three independent reflections is available, the reliability of the phases retrieved from the coherent diffraction data can be assessed. Lastly, our results show that rapid, reliable 3D coherent diffraction measurements of the full lattice strain tensor in specific micro-crystals are now feasible and can be successfully carried out even in heavily distorted samples.« less

Micro-beam Laue alignment of multi-reflection Bragg coherent diffraction imaging measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hofmann, Felix; Phillips, Nicholas W.; Harder, Ross J.

Multi-reflection Bragg coherent diffraction imaging has the potential to allow three-dimensional (3D) resolved measurements of the full lattice strain tensor in specific micro-crystals. Until now such measurements were hampered by the need for laborious, time-intensive alignment procedures. Here, in this paper, a different approach is demonstrated, using micro-beam Laue X-ray diffraction to first determine the lattice orientation of the micro-crystal. This information is then used to rapidly align coherent diffraction measurements of three or more reflections from the crystal. Based on these, 3D strain and stress fields in the crystal are successfully determined. This approach is demonstrated on a focusedmore » ion beam milled micro-crystal from which six reflections could be measured. Since information from more than three independent reflections is available, the reliability of the phases retrieved from the coherent diffraction data can be assessed. Lastly, our results show that rapid, reliable 3D coherent diffraction measurements of the full lattice strain tensor in specific micro-crystals are now feasible and can be successfully carried out even in heavily distorted samples.« less

Micro-beam Laue alignment of multi-reflection Bragg coherent diffraction imaging measurements.

PubMed

Hofmann, Felix; Phillips, Nicholas W; Harder, Ross J; Liu, Wenjun; Clark, Jesse N; Robinson, Ian K; Abbey, Brian

2017-09-01

Multi-reflection Bragg coherent diffraction imaging has the potential to allow three-dimensional (3D) resolved measurements of the full lattice strain tensor in specific micro-crystals. Until now such measurements were hampered by the need for laborious, time-intensive alignment procedures. Here a different approach is demonstrated, using micro-beam Laue X-ray diffraction to first determine the lattice orientation of the micro-crystal. This information is then used to rapidly align coherent diffraction measurements of three or more reflections from the crystal. Based on these, 3D strain and stress fields in the crystal are successfully determined. This approach is demonstrated on a focused ion beam milled micro-crystal from which six reflections could be measured. Since information from more than three independent reflections is available, the reliability of the phases retrieved from the coherent diffraction data can be assessed. Our results show that rapid, reliable 3D coherent diffraction measurements of the full lattice strain tensor in specific micro-crystals are now feasible and can be successfully carried out even in heavily distorted samples.

Micro-beam Laue Alignment of Multi-Reflection Bragg Coherent Diffraction Imaging Measurements

PubMed Central

Hofmann, Felix; Phillips, Nicholas W.; Harder, Ross J.; Liu, Wenjun; Clark, Jesse N.; Robinson, Ian K.; Abbey, Brian

2017-01-01

Multi-reflection Bragg coherent diffraction imaging has the potential to allow 3D resolved measurements of the full lattice strain tensor in specific micro-crystals. Until now such measurements were hampered by the need for laborious, time-intensive alignment procedures. Here we demonstrate a different approach, using micro-beam Laue X-ray diffraction to first determine the lattice orientation of the micro-crystal. This information is then used to rapidly align coherent diffraction measurements of three or more reflections from the crystal. Based on these, 3D strain and stress fields in the crystal are successfully determined. This approach is demonstrated on a focussed ion beam milled micro-crystal from which six reflections could be measured. Since information from more than three independent reflections is available, the reliability of the phases retrieved from the coherent diffraction data can be assessed. Our results show that rapid, reliable 3D coherent diffraction measurements of the full lattice strain tensor in specific micro-crystals are now feasible and can be successfully carried out even in heavily distorted samples. PMID:28862628

Physical and Chemical Properties of the Copper-Alanine System: An Advanced Laboratory Project

ERIC Educational Resources Information Center

Farrell, John J.

1977-01-01

An integrated physical-analytical-inorganic chemistry laboratory procedure for use with undergraduate biology majors is described. The procedure requires five to six laboratory periods and includes acid-base standardizations, potentiometric determinations, computer usage, spectrophotometric determinations of crystal-field splitting…

Macromolecular Crystallization in Microgravity

NASA Technical Reports Server (NTRS)

Snell, Edward H.; Helliwell, John R.

2004-01-01

The key concepts that attracted crystal growers, macromolecular or solid state, to microgravity research is that density difference fluid flows and sedimentation of the growing crystals are greatly reduced. Thus, defects and flaws in the crystals can be reduced, even eliminated, and crystal volume can be increased. Macromolecular crystallography differs from the field of crystalline semiconductors. For the latter, crystals are harnessed for their electrical behaviors. A crystal of a biological macromolecule is used instead for diffraction experiments (X-ray or neutron) to determine the three-dimensional structure of the macromolecule. The better the internal order of the crystal of a biological macromolecule then the more molecular structure detail that can be extracted. This structural information that enables an understanding of how the molecule functions. This knowledge is changing the biological and chemical sciences with major potential in understanding disease pathologies. Macromolecular structural crystallography in general is a remarkable field where physics, biology, chemistry, and mathematics meet to enable insight to the basic fundamentals of life. In this review, we examine the use of microgravity as an environment to grow macromolecular crystals. We describe the crystallization procedures used on the ground, how the resulting crystals are studied and the knowledge obtained from those crystals. We address the features desired in an ordered crystal and the techniques used to evaluate those features in detail. We then introduce the microgravity environment, the techniques to access that environment, and the theory and evidence behind the use of microgravity for crystallization experiments. We describe how ground-based laboratory techniques have been adapted to microgravity flights and look at some of the methods used to analyze the resulting data. Several case studies illustrate the physical crystal quality improvements and the macromolecular structural advances. Finally, limitations and alternatives to microgravity and future directions for this research are covered.

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

PubMed

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

2016-11-09

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

A Geochemical Investigation of Volcanic Rocks from the San Rafael Volcanic Field, Utah

NASA Astrophysics Data System (ADS)

Koebli, D. J.; Germa, A.; Connor, C.; Atlas, Z. D.

2016-12-01

A Geochemical Investigation of Volcanic Rocks from the San Rafael Volcanic Field, Utah Authors: Danielle Koebli, Dr. Aurelie Germa, Dr. Zackary Atlas, Dr. Charles Connor The San Rafael Volcanic Field (SRVF), Utah, is a 4Ma volcanic field located in the northwestern section of the Colorado Plateau. Alkaline magmas intruded into Jurassic sandstones , known as the Carmel, Entrada, Curtis and Summerville sandstone formations, and formed comagmatic dikes, sills and conduits that became uniquely well exposed as country rocks were eroded. The two rock types that formed from the melts are shonkinite (45.88 wt% SiO2) and syenite (50.84wt% SiO2); with dikes being predominantly shonkinite and sills exhibiting vertical alternation of shonkinite and syenite, a result of liquid immiscibility. The aim of this study is to determine magma temperatures, and mineral compositions which will be used for determining physical conditions for magma crystallization. Research is being conducted using an Electron Probe Micro Analyzer (EPMA) for single crystal analysis, and data were plotted using PINGU software through VHub cyberinfrastructure. EPMA data supports hydrated magma theories due to the large amounts of biotite and hornblende mixed in with olivine, feldspar and pyroxene. The data is also indicative of a calcium-rich magma which is further supported by the amount of pyroxene and plagioclase in the sample. Moreover, there are trace amounts orthoclase, quartz and k-feldspar due to sandstone inclusions from the magma intruding into the country rocks. The olivine crystals present in the samples are all chemically similar, having high Mg (Fo80-Fo90), which, coupled with a lower Fe content indicate a hotter magma. Comparison of mineral and whole-rock compositions using MELTs program will allow us to calculate magma viscosity and density so that the physical conditions for magma crystallization can be determined.

Applications of thermal-gradients method for the optimization of α-amylase crystallization conditions based on dynamic and static light scattering data

NASA Astrophysics Data System (ADS)

Delboni, L. F.; Iulek, J.; Burger, R.; da Silva, A. C. R.; Moreno, A.

2002-02-01

The expression, purification, crystallization, and characterization by X-ray diffraction of α-amylase are described here. Dynamic and static light scattering methods with a temperature controller was used to optimize the crystallization conditions of α-amylase from Bacillus stearothermophilus an important enzyme in many fields of industrial activity. After applying thermal gradients for growing crystals, X-ray cryo-crystallographic methods were employed for the data collection. Crystals grown by these thermal-gradients diffracted up to a maximum resolution of 3.8 Å, which allowed the determination of the unit cell constants as follows: a=61.7 Å, b=86.7 Å, c=92.2 Å and space group C222 (or C222 1).

Split and sealing of dislocated pipes at the front of a growing crystal

NASA Astrophysics Data System (ADS)

Gutkin, M. Yu.; Sheinerman, A. G.

2004-07-01

A model is suggested for the split of dislocated pipes at the front a growing crystal. Within the model, the pipe split occurs through the generation of a dislocation semi-loop at the pipe and crystal surfaces and its subsequent expansion into the crystal interior. The strain energy of such a dislocation semi-loop as well as the stress field of a dislocated pipe perpendicular to a flat crystal surface are calculated. The parameter regions are determined at which the expansion of the dislocation semi-loop is energetically favorable and, thus, the pipe split becomes irreversible. A mechanism is proposed for the formation of a stable semi-loop resulting in the split and possible subsequent overgrowth of the dislocated pipe.

Magnetic properties of single crystal alpha-benzoin oxime: An EPR study

NASA Astrophysics Data System (ADS)

Sayin, Ulku; Dereli, Ömer; Türkkan, Ercan; Ozmen, Ayhan

2012-02-01

The electron paramagnetic resonance (EPR) spectra of gamma irradiated single crystals of alpha-benzoinoxime (ABO) have been examined between 120 and 440 K. Considering the dependence on temperature and the orientation of the spectra of single crystals in the magnetic field, we identified two different radicals formed in irradiated ABO single crystals. To theoretically determine the types of radicals, the most stable structure of ABO was obtained by molecular mechanic and B3LYP/6-31G(d,p) calculations. Four possible radicals were modeled and EPR parameters were calculated for the modeled radicals using the B3LYP method and the TZVP basis set. Calculated values of two modeled radicals were in strong agreement with experimental EPR parameters determined from the spectra. Additional simulated spectra of the modeled radicals, where calculated hyperfine coupling constants were used as starting points for simulations, were well matched with experimental spectra.

Current trends in protein crystallization.

PubMed

Gavira, José A

2016-07-15

Proteins belong to the most complex colloidal system in terms of their physicochemical properties, size and conformational-flexibility. This complexity contributes to their great sensitivity to any external change and dictate the uncertainty of crystallization. The need of 3D models to understand their functionality and interaction mechanisms with other neighbouring (macro)molecules has driven the tremendous effort put into the field of crystallography that has also permeated other fields trying to shed some light into reluctant-to-crystallize proteins. This review is aimed at revising protein crystallization from a regular-laboratory point of view. It is also devoted to highlight the latest developments and achievements to produce, identify and deliver high-quality protein crystals for XFEL, Micro-ED or neutron diffraction. The low likelihood of protein crystallization is rationalized by considering the intrinsic polypeptide nature (folded state, surface charge, etc) followed by a description of the standard crystallization methods (batch, vapour diffusion and counter-diffusion), including high throughput advances. Other methodologies aimed at determining protein features in solution (NMR, SAS, DLS) or to gather structural information from single particles such as Cryo-EM are also discussed. Finally, current approaches showing the convergence of different structural biology techniques and the cross-methodologies adaptation to tackle the most difficult problems, are presented. Current advances in biomacromolecules crystallization, from nano crystals for XFEL and Micro-ED to large crystals for neutron diffraction, are covered with special emphasis in methodologies applicable at laboratory scale. Copyright © 2015 Elsevier Inc. All rights reserved.

Magnesium Vacancy Segregation and Fast Pipe Diffusion for the ½<110>{110} Edge Dislocation in MgO

NASA Astrophysics Data System (ADS)

Walker, A. M.; Zhang, F.; Wright, K.; Gale, J. D.

2009-12-01

The movement of point defects in minerals plays a key role in determining their rheological properties, both by permitting diffusional creep and by allowing recovery by dislocation climb. Point defect diffusion can also control the kinetics of phase transitions and grain growth, and can determine the rate of chemical equilibration between phases. Because of this, and the difficulties associated with experimental studies of diffusion, the simulation of point defect formation and migration has been a subject of considerable interest in computational mineral physics. So far, studies have concentrated on point defects moving through otherwise perfect crystals. In this work we examine the behavior of magnesium vacancies close to the core of an edge dislocation in MgO and find that the dislocation dramatically changes the behavior of the point defect. An atomic scale model of the ½<110>{110} edge dislocation in MgO was constructed by applying the anisotropic linear elastic displacement field to the crystal structure and subsequently minimizing the energy of the crystal close to the dislocation core using a parameterized potential model. This process yielded the structure of an isolated edge dislocation in an otherwise perfect crystal. The energy cost associated with introducing magnesium vacancies around the dislocation was then mapped and compared to the formation energy of an isolated magnesium vacancy in bulk MgO. We find that the formation energy of magnesium vacancies around the dislocation mirrors the elastic strain field. Above the dislocation line σxx and σyy are negative and the strain field is compressional. Atoms are squeezed together to make room for the extra half plane effectively increasing the pressure in this region. Below the dislocation line σxx and σyy are positive and the strain field is dilatational. Planes of atoms are pulled apart to avoid a discontinuity across the glide plane and the effective pressure is decreased. In the region with a compressional strain field the vacancies become less stable than those in perfect MgO. In contrast, the region with a dilatational strain field hosts vacancies which are stabilized compared to the perfect crystal. This is in agreement with the previously observed tendency for increasing pressure to decrease the stability of vacancies in MgO. The most stable position for a magnesium vacancy was found to be 1.7 eV more stable than the vacancy in the bulk crystal, suggesting that vacancies will strongly partition to dislocations in MgO. Finally, the energy profile traced out by a vacancy moving through the bulk crystal was compared with that experienced by a vacancy moving along the dislocation core. A low energy pathway for vacancy migration along the dislocation line was found with a migration energy of 1.6 eV compared with a migration energy in the perfect crystal of 1.9 eV. This shows that vacancies segregated to the dislocation line will be significantly more mobile than vacancies in the perfect crystal. Dislocations will act as pipes, allowing material to be rapidly transported through crystals of MgO.

Towards protein-crystal centering using second-harmonic generation (SHG) microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kissick, David J.; Dettmar, Christopher M.; Becker, Michael

2013-05-01

The potential of second-harmonic generation (SHG) microscopy for automated crystal centering to guide synchrotron X-ray diffraction of protein crystals has been explored. The potential of second-harmonic generation (SHG) microscopy for automated crystal centering to guide synchrotron X-ray diffraction of protein crystals was explored. These studies included (i) comparison of microcrystal positions in cryoloops as determined by SHG imaging and by X-ray diffraction rastering and (ii) X-ray structure determinations of selected proteins to investigate the potential for laser-induced damage from SHG imaging. In studies using β{sub 2} adrenergic receptor membrane-protein crystals prepared in lipidic mesophase, the crystal locations identified by SHGmore » images obtained in transmission mode were found to correlate well with the crystal locations identified by raster scanning using an X-ray minibeam. SHG imaging was found to provide about 2 µm spatial resolution and shorter image-acquisition times. The general insensitivity of SHG images to optical scatter enabled the reliable identification of microcrystals within opaque cryocooled lipidic mesophases that were not identified by conventional bright-field imaging. The potential impact of extended exposure of protein crystals to five times a typical imaging dose from an ultrafast laser source was also assessed. Measurements of myoglobin and thaumatin crystals resulted in no statistically significant differences between structures obtained from diffraction data acquired from exposed and unexposed regions of single crystals. Practical constraints for integrating SHG imaging into an active beamline for routine automated crystal centering are discussed.« less

Magnetic Control in Crystal Growth from a Melt

NASA Astrophysics Data System (ADS)

Huang, Yue

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

Advanced Methods of Protein Crystallization.

PubMed

Moreno, Abel

2017-01-01

This chapter provides a review of different advanced methods that help to increase the success rate of a crystallization project, by producing larger and higher quality single crystals for determination of macromolecular structures by crystallographic methods. For this purpose, the chapter is divided into three parts. The first part deals with the fundamentals for understanding the crystallization process through different strategies based on physical and chemical approaches. The second part presents new approaches involved in more sophisticated methods not only for growing protein crystals but also for controlling the size and orientation of crystals through utilization of electromagnetic fields and other advanced techniques. The last section deals with three different aspects: the importance of microgravity, the use of ligands to stabilize proteins, and the use of microfluidics to obtain protein crystals. All these advanced methods will allow the readers to obtain suitable crystalline samples for high-resolution X-ray and neutron crystallography.

Phase diagrams of orientational transitions in absorbing nematic liquid crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zolot’ko, A. S., E-mail: zolotko@lebedev.ru; Ochkin, V. N.; Smayev, M. P.

2015-05-15

A theory of orientational transitions in nematic liquid crystals (NLCs), which employs the expansion of optical torques acting on the NLC director with respect to the rotation angle, has been developed for NLCs with additives of conformationally active compounds under the action of optical and low-frequency electric and magnetic fields. Phase diagrams of NLCs are constructed as a function of the intensity and polarization of the light field, the strength of low-frequency electric field, and a parameter that characterizes the feedback between the rotation of the NLC director and optical torque. Conditions for the occurrence of first- and second-order transitionsmore » are determined. The proposed theory agrees with available experimental data.« less

NMR study of the paramagnetic state of low-dimensional magnets LiCu{sub 2}O{sub 2} and NaCu{sub 2}O{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sadykov, A. F., E-mail: sadykov@imp.uran.ru; Piskunov, Yu. V.; Gerashchenko, A. P.

A comprehensive NMR study of the magnetic properties of single crystal LiCu{sub 2}O{sub 2} (LCO) and NaCu{sub 2}O{sub 2} (NCO) is carried out in the paramagnetic region of the compounds for various orientations of single crystals in an external magnetic field. The values of the electric-field gradient (EFG) tensor, as well as the dipole and transferred hyperfine magnetic fields for {sup 63,65}Cu, {sup 7}Li, and {sup 23}Na nuclei are determined. The results are compared with the data obtained in previous NMR studies of the magnetically ordered state of LCO/NCO cuprates.

The structure of small, vapor-deposited particles. II - Experimental study of particles with hexagonal profile

NASA Technical Reports Server (NTRS)

Yacaman, M. J.; Heinemann, K.; Yang, C. Y.; Poppa, H.

1979-01-01

'Multiply-twinned' gold particles with hexagonal bright field TEM profile were determined to be icosahedra composed of 20 identical and twin-related tetrahedral building units that do not have an fcc structure. The crystal structure of these slightly deformed tetrahedra is rhombohedral. Experimental evidence supporting this particle model was obtained by selected-zone dark field and weak beam dark field electron microscopy. In conjunction with the results of part I, it has been concluded that multiply-twinned gold particles of pentagonal or hexagonal profile that are found during the early stages of the vapor deposition growth process on alkali halide surfaces do not have an fcc crystal structure, which is in obvious contrast to the structure of bulk gold.

Single crystal EPR, optical absorption and superposition model study of Cr3+ doped ammonium dihydrogen phosphate.

PubMed

Kripal, Ram; Pandey, Sangita

2010-06-01

The electron paramagnetic resonance (EPR) studies are carried out on Cr(3+) ion doped ammonium dihydrogen phosphate (ADP) single crystals at room temperature. Four magnetically inequivalent sites for chromium are observed. No hyperfine structure is obtained. The crystal-field and spin Hamiltonian parameters are calculated from the resonance lines obtained at different angular rotations. The zero field and spin Hamiltonian parameters of Cr(3+) ion in ADP are calculated as: |D|=(257+/-2) x 10(-4) cm(-1), |E|=(79+/-2) x 10(-4) cm(-1), g=1.9724+/-0.0002 for site I; |D|=(257+/-2) x 10(-4) cm(-1), |E|=(77+/-2) x 10(-4) cm(-1), g=1.9727+/-0.0002 for site II; |D|=(259+/-2) x 10(-4) cm(-1), |E|=(78+/-2) x 10(-4) cm(-1), g=1.9733+/-0.0002 for site III; |D|=(259+/-2) x 10(-4) cm(-1), |E|=(77+/-2) x 10(-4) cm(-1), g=1.973+/-0.0002 for site IV, respectively. The site symmetry of Cr(3+) doped single crystal is discussed on the basis of EPR data. The Cr(3+) ion enters the lattice substitutionally replacing the NH(4)(+) sites. The optical absorption spectra are recorded in 195-925 nm wavelength range at room temperature. The energy values of different orbital levels are determined. On the basis of EPR and optical data, the nature of bonding in the crystal is discussed. The calculated values of Racah interelectronic repulsion parameters (B and C), cubic crystal-field splitting parameter (D(q)) and nephelauxetic parameters (h and k) are: B=640, C=3070, D(q)=2067 cm(-1), h=1.44 and k=0.21, respectively. ZFS parameters are also determined using B(kq) parameters from superposition model. Copyright 2010 Elsevier B.V. All rights reserved.

Viscosity measurements of crystallizing andesite from Tungurahua volcano (Ecuador).

PubMed

Chevrel, Magdalena Oryaëlle; Cimarelli, Corrado; deBiasi, Lea; Hanson, Jonathan B; Lavallée, Yan; Arzilli, Fabio; Dingwell, Donald B

2015-03-01

Viscosity has been determined during isothermal crystallization of an andesite from Tungurahua volcano (Ecuador). Viscosity was continuously recorded using the concentric cylinder method and employing a Pt-sheathed alumina spindle at 1 bar and from 1400°C to subliquidus temperatures to track rheological changes during crystallization. The disposable spindle was not extracted from the sample but rather left in the sample during quenching thus preserving an undisturbed textural configuration of the crystals. The inspection of products quenched during the crystallization process reveals evidence for heterogeneous crystal nucleation at the spindle and near the crucible wall, as well as crystal alignment in the flow field. At the end of the crystallization, defined when viscosity is constant, plagioclase is homogeneously distributed throughout the crucible (with the single exception of experiment performed at the lowest temperature). In this experiments, the crystallization kinetics appear to be strongly affected by the stirring conditions of the viscosity determinations. A TTT (Time-Temperature-Transformation) diagram illustrating the crystallization "nose" for this andesite under stirring conditions and at ambient pressure has been constructed. We further note that at a given crystal content and distribution, the high aspect ratio of the acicular plagioclase yields a shear-thinning rheology at crystal contents as low as 13 vol %, and that the relative viscosity is higher than predicted from existing viscosity models. These viscosity experiments hold the potential for delivering insights into the relative influences of the cooling path, undercooling, and deformation on crystallization kinetics and resultant crystal morphologies, as well as their impact on magmatic viscosity.

Viscosity measurements of crystallizing andesite from Tungurahua volcano (Ecuador)

PubMed Central

Cimarelli, Corrado; deBiasi, Lea; Hanson, Jonathan B.; Lavallée, Yan; Arzilli, Fabio; Dingwell, Donald B.

2015-01-01

Abstract Viscosity has been determined during isothermal crystallization of an andesite from Tungurahua volcano (Ecuador). Viscosity was continuously recorded using the concentric cylinder method and employing a Pt‐sheathed alumina spindle at 1 bar and from 1400°C to subliquidus temperatures to track rheological changes during crystallization. The disposable spindle was not extracted from the sample but rather left in the sample during quenching thus preserving an undisturbed textural configuration of the crystals. The inspection of products quenched during the crystallization process reveals evidence for heterogeneous crystal nucleation at the spindle and near the crucible wall, as well as crystal alignment in the flow field. At the end of the crystallization, defined when viscosity is constant, plagioclase is homogeneously distributed throughout the crucible (with the single exception of experiment performed at the lowest temperature). In this experiments, the crystallization kinetics appear to be strongly affected by the stirring conditions of the viscosity determinations. A TTT (Time‐Temperature‐Transformation) diagram illustrating the crystallization “nose” for this andesite under stirring conditions and at ambient pressure has been constructed. We further note that at a given crystal content and distribution, the high aspect ratio of the acicular plagioclase yields a shear‐thinning rheology at crystal contents as low as 13 vol %, and that the relative viscosity is higher than predicted from existing viscosity models. These viscosity experiments hold the potential for delivering insights into the relative influences of the cooling path, undercooling, and deformation on crystallization kinetics and resultant crystal morphologies, as well as their impact on magmatic viscosity. PMID:27656114

Direct observation of the ferroelectric polarization in the layered perovskite Bi{sub 4}Ti{sub 3}O{sub 12}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Urushihara, Daisuke; Asaka, Toru, E-mail: asaka.toru@nitech.ac.jp; Frontier Research Institute for Materials Science, Nagoya Institute of Technology, Nagoya 466-8555

We investigated the crystal structure and ferroelectric domains of Bi{sub 4}Ti{sub 3}O{sub 12} (BTO) by means of transmission electron microscopy (TEM) and single-crystal X-ray diffractometry. From the extinction rule, we determined that the space group in the ferroelectric phase of BTO is P1a1 rather than B2cb and B1a1 which have been proposed previously. We successfully refined the crystal structure based on the space group P1a1. The 180° and 90° ferroelectric domain structures were observed by the [001]-zone dark-field TEM imaging. In the 180° domain structure, we determined that one component of the polarization vector is parallel to the a-axis. Anmore » annular bright-field scanning transmission electron microscopy (ABF-STEM) was performed for the direct observation of the crystal structures. The ABF-STEM images displayed the contrasts with respect to every atomic position in spite of the highly distorted structure of BTO. We could evaluate the tilting and distortion of the [TiO{sub 6}] octahedra relatively. Therefore, we directly observed the ferroelectric displacements of Bi and Ti ions.« less

Role of Er3+ concentration in high-resolution spectra of BaY2 F8 single crystals

NASA Astrophysics Data System (ADS)

Baraldi, A.; Capelletti, R.; Mazzera, M.; Ponzoni, A.; Amoretti, G.; Magnani, N.; Toncelli, A.; Tonelli, M.

2005-08-01

Fourier transform absorption spectroscopy with a resolution as fine as 0.02cm-1 was applied to Er3+ -doped monoclinic BaY2F8 laser crystals in a wide wave number range (500-24000cm-1) and in the temperature range 9-300 K. The careful analysis of the complex narrow line spectra induced by Er3+ allowed us to determine with high accuracy the crystal field splitting of the fundamental I15/24 and of the excited I13/24 , I11/24 , I9/24 , F9/24 , S3/24 , H11/22 , F7/24 , F5/24 , and F3/24 manifolds. On the basis of the experimental data, the crystal-field parameters were determined and Newman’s superposition model was applied: in this way a slight displacement of Er3+ with respect to the Y3+ position was foreseen. The Judd-Ofelt parameters were evaluated: the lifetime values deduced from them were compared to the experimental ones and discussed. The effects caused by increasing Er3+ concentrations (0.5%, 2%, 12%, and 20% atomic fraction) were studied in detail. The new lines, the line broadening, and the line-shape changes were explained in terms of Er3+-Er3+ interaction.

Neutron diffraction study of antiferromagnetic ErNi3Ga9 in magnetic fields

NASA Astrophysics Data System (ADS)

Ninomiya, Hiroki; Sato, Takaaki; Matsumoto, Yuji; Moyoshi, Taketo; Nakao, Akiko; Ohishi, Kazuki; Kousaka, Yusuke; Akimitsu, Jun; Inoue, Katsuya; Ohara, Shigeo

2018-05-01

We report specific heat, magnetization, magnetoresistance, and neutron diffraction measurements of single crystals of ErNi3Ga9. This compound crystalizes in a chiral structure with space group R 32 . The erbium ions form a two-dimensional honeycomb structure. ErNi3Ga9 displays antiferromagnetic order below 6.4 K. We determined that the magnetic structure is slightly amplitude-modulated as well as antiferromagnetic with q = (0 , 0 , 0.5) . The magnetic properties are described by an Ising-like model in which the magnetic moment is always along the c-axis owing to the large uniaxial anisotropy caused by the crystalline electric field effect in the low temperature region. When the magnetic field is applied along the c-axis, a metamagnetic transition is observed around 12 kOe at 2 K. ErNi3Ga9 possesses crystal chirality, but the antisymmetric magnetic interaction, the so-called Dzyaloshinskii-Moriya (DM) interaction, does not contribute to the magnetic structure, because the magnetic moments are parallel to the DM-vector.

Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes

PubMed Central

King, David M.; Cleaves, Peter A.; Wooles, Ashley J.; Gardner, Benedict M.; Chilton, Nicholas F.; Tuna, Floriana; Lewis, William; McInnes, Eric J. L.; Liddle, Stephen T.

2016-01-01

Determining the electronic structure of actinide complexes is intrinsically challenging because inter-electronic repulsion, crystal field, and spin–orbit coupling effects can be of similar magnitude. Moreover, such efforts have been hampered by the lack of structurally analogous families of complexes to study. Here we report an improved method to U≡N triple bonds, and assemble a family of uranium(V) nitrides. Along with an isoelectronic oxo, we quantify the electronic structure of this 5f1 family by magnetometry, optical and electron paramagnetic resonance (EPR) spectroscopies and modelling. Thus, we define the relative importance of the spin–orbit and crystal field interactions, and explain the experimentally observed different ground states. We find optical absorption linewidths give a potential tool to identify spin–orbit coupled states, and show measurement of UV···UV super-exchange coupling in dimers by EPR. We show that observed slow magnetic relaxation occurs via two-phonon processes, with no obvious correlation to the crystal field. PMID:27996007

Superposition model analysis of zero field splitting for Mn2+ in some host single crystals

NASA Astrophysics Data System (ADS)

Bansal, R. S.; Ahlawat, P.; Bharti, M.; Hooda, S. S.

2013-07-01

The Newman superposition model has been used to investigate the substitution of Mn2+ for Zn2+ site in ammonium tetra flurozincate dihydrate and for Co2+ site in cobalt ammonium phosphate hexahydrate and cobalt potassium phosphate hexahydrate single crystals. The calculated values of zero field splitting parameter b 2 0 at room temperature fit the experimental data with average intrinsic parameters overline{b}2 (F) = -0.0531 cm-1 for fluorine and overline{b}2 (O) = -0.0280 cm-1 for oxygen, taken t 2 = 7 for Mn2+ doped in ammonium tetra fluorozincate dihydrate single crystals. The values of overline{b}2 determined for Mn2+ doped in cobalt ammonium phosphate hexahydrate are -0.049 cm-1 for site I and -0.045 cm-1 for site II and in cobalt pottasium phosphate hexahydrate single crystals it is found to be overline{b}2 = -0.086 cm-1. We find close agreement between theoretical and experimental values of b 2 0.

Growth and electrical properties of (Mn,F) co-doped 0.92Pb(Zn 1/3Nb 2/3)O 3-0.08PbTiO 3 single crystal

NASA Astrophysics Data System (ADS)

Zhang, Shujun; Lebrun, Laurent; Randall, Clive A.; Shrout, Thomas R.

2004-06-01

The growth and characterization of (Mn,F) doped Pb(Zn 1/3Nb 2/3)O 3-PbTiO 3 (PZNT) single crystals are reported in this paper. The typical single crystal obtained is up to 30 mm size with dark brown color. The crystal lattice parameters of doped PZNT crystal are slightly decreased compared to the pure one. The room temperature dielectric permittivity along <0 0 1> direction is about 6000, which is lower than that of the pure PZNT8 because of the dopants. The Curie temperature of the doped crystal is about 180°C while the ferroelectric phase transition temperature is around 100°C, which are higher than those of the pure PZNT8 single crystal. The remnant polarization and coercive field of <0 0 1> oriented doped crystal measured at 1 Hz and 10 kV/cm field are about 27 μC/cm 2 and 4.2 kV/cm, respectively. The room temperature mechanical quality factor is ˜300. Piezoelectric coefficient of <0 0 1> oriented doped crystal is higher than 3500 pC/N and the longitudinal electromechanical coupling factor is larger than 93%. The piezoelectric properties of doped PZNT single crystal with temperature and orientations are also reported in this paper. The valence state of the manganese dopant was determined by electron spin resonance, indicating no Mn 4+ in the crystals, suggesting the valence of manganese ions in PZNT crystals may be 2+, which acts as a hardener, stabilizes the domain wall and pins the domain wall motion, on the other hand, the dopant will enter Ti 4+ position, shifting the crystal composition to higher PT content.

Theoretical temperature-dependent branching ratios and laser thresholds of the 3F4 to 3H6 levels of Tm(3+) in ten garnets

NASA Technical Reports Server (NTRS)

Filer, Elizabeth D.; Barnes, Norman P.; Morrison, Clyde A.

1991-01-01

The calculated energy levels, the branching ratios, and the estimated thresholds for thulium operating on the 3F4 to 3H6 transitions are reported. Garnet materials with the general formula A3B2C3O12 are evaluated. Calculations are performed for the A side under the assumption of D2 symmetry. X-ray data available in the literature are used to evaluate the crystal-field components, A sub nm. Even-n components are employed to calculate the crystal-field splittings within the manifold. Thermal occupation factors are determined in a straightforward manner using a Boltzmann distribution for the respective manifolds. Odd-n components are applied to calculate the transition probabilities for electric field transitions. It is determined that the magnetic dipole contributions to the transition probability are comparable to the electric dipole contributions in some cases. Thresholds as a function of the density of thulium atoms are calculated.

Stability and phase transition of skyrmion crystals generated by Dzyaloshinskii-Moriya interaction

NASA Astrophysics Data System (ADS)

El Hog, Sahbi; Bailly-Reyre, Aurélien; Diep, H. T.

2018-06-01

We generate a crystal of skyrmions in two dimensions using a Heisenberg Hamiltonian including the ferromagnetic interaction J, the Dzyaloshinskii-Moriya interaction D, and an applied magnetic field H. The ground state (GS) is determined by minimizing the interaction energy. We show that the GS is a skyrmion crystal in a region of (D, H) . The stability of this skyrmion crystalline phase at finite temperatures is shown by a study of the time-dependence of the order parameter using Monte Carlo simulations. We observe that the relaxation is very slow and follows a stretched exponential law. The skyrmion crystal phase is shown to undergo a transition to the paramagnetic state at a finite temperature.

GaN Schottky diodes with single-crystal aluminum barriers grown by plasma-assisted molecular beam epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tseng, H. Y.; Yang, W. C.; Lee, P. Y.

2016-08-22

GaN-based Schottky barrier diodes (SBDs) with single-crystal Al barriers grown by plasma-assisted molecular beam epitaxy are fabricated. Examined using in-situ reflection high-energy electron diffractions, ex-situ high-resolution x-ray diffractions, and high-resolution transmission electron microscopy, it is determined that epitaxial Al grows with its [111] axis coincident with the [0001] axis of the GaN substrate without rotation. In fabricated SBDs, a 0.2 V barrier height enhancement and 2 orders of magnitude reduction in leakage current are observed in single crystal Al/GaN SBDs compared to conventional thermal deposited Al/GaN SBDs. The strain induced piezoelectric field is determined to be the major source of themore » observed device performance enhancements.« less

Magnetic Light-Matter Interactions in a Photonic Crystal Nanocavity

NASA Astrophysics Data System (ADS)

Burresi, M.; Kampfrath, T.; van Oosten, D.; Prangsma, J. C.; Song, B. S.; Noda, S.; Kuipers, L.

2010-09-01

We study the magnetic coupling between a metal-coated near-field probe and a photonic crystal nanocavity. The resonance of the nanocavity shifts to shorter wavelengths when the ringlike apex of the probe is above an antinode of the magnetic field of the cavity. We show that this can be attributed to a magnetic light-matter interaction and is in fact a manifestation of Lenz’s law at optical frequencies. We use these measurements to determine the magnetic polarizability of the apex of the probe and find good agreement with theory. We discuss how this method could be applied to study the electric and magnetic polarizibilities of nano-objects.

Topological defects in two-dimensional liquid crystals confined by a box

NASA Astrophysics Data System (ADS)

Yao, Xiaomei; Zhang, Hui; Chen, Jeff Z. Y.

2018-05-01

When a spatially uniform system that displays a liquid-crystal ordering on a two-dimensional surface is confined inside a rectangular box, the liquid crystal direction field develops inhomogeneous textures accompanied by topological defects because of the geometric frustrations. We show that the rich variety of nematic textures and defect patterns found in recent experimental and theoretical studies can be classified by the solutions of the rather fundamental, extended Onsager model. This is critically examined based on the determined free energies of different defect states, as functions of a few relevant, dimensionless geometric parameters.

Gold Nanoparticles in Photonic Crystals Applications: A Review

PubMed Central

Venditti, Iole

2017-01-01

This review concerns the recently emerged class of composite colloidal photonic crystals (PCs), in which gold nanoparticles (AuNPs) are included in the photonic structure. The use of composites allows achieving a strong modification of the optical properties of photonic crystals by involving the light scattering with electronic excitations of the gold component (surface plasmon resonance, SPR) realizing a combination of absorption bands with the diffraction resonances occurring in the body of the photonic crystals. Considering different preparations of composite plasmonic-photonic crystals, based on 3D-PCs in presence of AuNPs, different resonance phenomena determine the optical response of hybrid crystals leading to a broadly tunable functionality of these crystals. Several chemical methods for fabrication of opals and inverse opals are presented together with preparations of composites plasmonic-photonic crystals: the influence of SPR on the optical properties of PCs is also discussed. Main applications of this new class of composite materials are illustrated with the aim to offer the reader an overview of the recent advances in this field. PMID:28772458

Gold Nanoparticles in Photonic Crystals Applications: A Review.

PubMed

Venditti, Iole

2017-01-24

This review concerns the recently emerged class of composite colloidal photonic crystals (PCs), in which gold nanoparticles (AuNPs) are included in the photonic structure. The use of composites allows achieving a strong modification of the optical properties of photonic crystals by involving the light scattering with electronic excitations of the gold component (surface plasmon resonance, SPR) realizing a combination of absorption bands with the diffraction resonances occurring in the body of the photonic crystals. Considering different preparations of composite plasmonic-photonic crystals, based on 3D-PCs in presence of AuNPs, different resonance phenomena determine the optical response of hybrid crystals leading to a broadly tunable functionality of these crystals. Several chemical methods for fabrication of opals and inverse opals are presented together with preparations of composites plasmonic-photonic crystals: the influence of SPR on the optical properties of PCs is also discussed. Main applications of this new class of composite materials are illustrated with the aim to offer the reader an overview of the recent advances in this field.

Crystal structure and conformational analysis of s-cis-(acetylacetonato)(ethylenediamine-N,N'-diacetato)-chromium(III): development of vibrationally optimized force field (VOFF).

PubMed

Choi, Jong-Ha; Niketić, Svetozar R; Djordjević, Ivana; Clegg, William; Harrington, Ross W

2012-05-01

The crystal structure of [Cr(edda)(acac)] (edda = ethylediamine-N,N'-diacetate; acac = acetylacetonato) has been determined by a single crystal X-ray diffraction study at 150 K. The chromium ion is in a distorted octahedral environment coordinated by two N and two O atoms of chelating edda and two O atoms of acac, resulting in s-cis configuration. The complex crystallizes in the space group P2(1)/c of the monoclinic system in a cell of dimensions a = 10.2588(9), b = 15.801(3), c = 8.7015(11) Å, β =101.201(9)° and Z = 4. The mean Cr-N(edda), Cr-O(edda) and Cr-O(acac) bond distances are 2.0829(14), 1.9678(11) and 1.9477(11) Å while the angles O-Cr-O of edda and O-Cr-O of acac are 171.47(5) and 92.72(5)°, respectively. The crystal structure is stabilized by N-H···O hydrogen bonds linking [Cr(edda)(acac)] molecules in distinct linear strands. The visible electronic and IR spectroscopic properties are also discussed. An improved, physically more realistic force field, Vibrationally Optimized Force Field (VOFF), capable of reproducing structural and vibrational properties of [Cr(edda)(acac)] was developed and its transferability demonstrated on selected chromium(III) complexes with similar ligands.

Electro-Optic Lightning Detector

NASA Technical Reports Server (NTRS)

Koshak, William J.; Solakiewica, R. J.

1998-01-01

Electric field measurements are fundamental to the study of thunderstorm electrification, thundercloud charge structure, and the determination of the locations and magnitudes of charges deposited by lightning. Continuous field observations can also be used to warn of impending electrical hazards. For example, the USAF Eastern Range (ER) and NASA Kennedy Space Center (KSC) in Florida currently operate a ground-based network of electric field mill sensors to warn against lightning hazards to space vehicle operations/launches. The sensors provide continuous recordings of the ambient field. Others investigators have employed flat-plate electric field antennas to detect changes In the ambient field due to lightning. In each approach, electronic circuitry is used to directly detect and amplify the effects of the ambient field on an exposed metal conductor (antenna plate); in the case of continuous field recordings, the antenna plate is alternately shielded and unshielded by a grounded conductor. In this work effort, an alternate optical method for detecting lightning-caused electric field changes is Introduced. The primary component in the detector is an anisotropic electro-optic crystal of potassium di-hydrogen phosphate (chemically written as KH2PO4 (KDP)). When a voltage Is placed across the electro-optic crystal, the refractive Indices of the crystal change. This change alters the polarization state of a laser light beam that is passed down the crystal optic axis. With suitable application of vertical and horizontal polarizers, a light transmission measurement is related to the applied crystal voltage (which in turn Is related to the lightning caused electric field change). During the past two years, all critical optical components were procured, assembled, and aligned. An optical housing, calibration set-up, and data acquisition system was integrated for breadboard testing. The sensor was deployed at NASA Marshall Space Flight Center (MSFC) in the summer of 1998 to collect storm data. Because solid-state technology is used, future designs of the sensor will be significantly scaled down In physical dimension and weight compared to the present optical breadboard prototype. The use of fiber optics would also provide significant practical improvements.

Two-step transition towards the reversibility region in Bi2Sr2CaCu2O8-δ single crystals

NASA Astrophysics Data System (ADS)

Pastoriza, H.; de La Cruz, F.; Mitzi, D. B.; Kapitulnik, A.

1992-10-01

We have performed magnetization measurements on Bi2Sr2CaCu2O8-δ single crystals in the c^ crystallographic direction for fields from 2 Oe up to 700 Oe. The results strongly suggest that the reversible thermodynamic region is achieved after the vortex flux structure shows an abrupt transition at a temperature lower than that determined by the irreversibility line.

Computational crystallization

PubMed Central

Altan, Irem; Charbonneau, Patrick; Snell, Edward H.

2016-01-01

Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one of trial and error. In this article, efforts in the field are discussed together with a theoretical underpinning using a solubility phase diagram. Prior knowledge has been used to develop tools that computationally predict the crystallization outcome and define mutational approaches that enhance the likelihood of crystallization. For the most part these tools are based on binary outcomes (crystal or no crystal), and the full information contained in an assembly of crystallization screening experiments is lost. The potential of this additional information is illustrated by examples where new biological knowledge can be obtained and where a target can be sub-categorized to predict which class of reagents provides the crystallization driving force. Computational analysis of crystallization requires complete and correctly formatted data. While massive crystallization screening efforts are under way, the data available from many of these studies are sparse. The potential for this data and the steps needed to realize this potential are discussed. PMID:26792536

EPR investigation of gamma irradiated single crystal guaifenesin: A combined experimental and computational study

NASA Astrophysics Data System (ADS)

Tasdemir, Halil Ugur; Sayin, Ulku; Türkkan, Ercan; Ozmen, Ayhan

2016-04-01

Gamma irradiated single crystal of Guaifenesin (Glyceryl Guaiacolate), an important expectorant drug, were investigated with Electron Paramagnetic Resonance (EPR) spectroscopy between 123 and 333 K temperature at different orientations in the magnetic field. Considering the chemical structure and the experimental spectra of the gamma irradiated single crystal of guaifenesin sample, we assumed that alkoxy or alkyl-type paramagnetic species may be produced by irradiation. Depending on this assumption, eight possible alkoxy and alkyl-type radicals were modeled and EPR parameters of these modeled radicals were calculated using the B3LYP/6-311++G(d,p)-level of density functional theory (DFT). Theoretically calculated values of alkyl-type modeled radical(R3) are in good agreement with experimentally determined EPR parameters of single crystal. Furthermore, simulation spectra which are obtained by using the theoretical initial values are well matched with the experimental spectra. It was determined that a stable Cα •H2αCβHβCγH2γ (R3) alkyl radical was produced in the host crystal as a result of gamma irradiation.

First principles study of size and external electric field effects on the atomic and electronic properties of gallium nitride nanostructures

NASA Astrophysics Data System (ADS)

Yilmaz, Hulusi

A comprehensive density functional theory study of atomic and the electronic properties of wurtzite gallium nitride (GaN) nanostructures with different sizes and shapes is presented and the effect of external electric field on these properties is examined. We show that the atomic and electronic properties of [101¯0] facet single-crystal GaN nanotubes (quasi-1D), nanowires (1D) and nanolayers (2D) are mainly determined by the surface to volume ratio. The shape dependent quantum confinement and strain effects on the atomic and electronic properties of these GaN nanostructures are found to be negligible. Based on this similarity between the atomic and electronic properties of the small size GaN nanostructures, we calculated the atomic and electronic properties of the practical size (28.1 A wall thickness) single-crystal GaN nanotubes through computational much economical GaN nanoslabs (nanolayers). Our results show that, regardless of diameter, hydrogen saturated single-crystal GaN tubes with the wall thickness of 28.1 A are energetically stable and they have a noticeably larger band gap with respect to the band gap of bulk GaN. The band gap of unsaturated single-crystal GaN tubes, on the other hand, is always smaller than the band gap of the wurtzite bulk GaN. In a separate study, we show that a transverse electric field induces a homojunction across the diameter of initially semiconducting GaN single-crystal nanotubes and nanowires. The homojunction arises due to the decreased energy of the electronic states in the higher potential region with respect to the energy of those states in the lower potential region under the transverse electric field. Calculations on single-crystal GaN nanotubes and nanowires of different diameter and wall thickness show that the threshold electric field required for the semiconductor-homojunction induction increases with increasing wall thickness and decreases significantly with increasing diameter.

High-resolution transmission electron microscopy of hexagonal and rhombohedral molybdenum disulfide crystals.

PubMed

Isshiki, T; Nishio, K; Saijo, H; Shiojiri, M; Yabuuchi, Y; Takahashi, N

1993-07-01

Natural (molybdenite) and synthesized molybdenum disulfide crystals have been studied by high-resolution transmission electron microscopy. The image simulation demonstrates that the [0001] and [0110] HRTEM images of hexagonal and rhombohedral MoS2 crystals hardly disclose their stacking sequences, and that the [2110] images can distinguish the Mo and S columns along the incident electron beam and enable one to determine not only the crystal structure but also the fault structure. Observed [0001] images of cleaved molybdenite and synthesized MoS2 crystals, however, reveal the strain field around partial dislocations limiting an extended dislocation. A cross-sectional image of a single molecular (S-Mo-S) layer cleaved from molybdenite has been observed. Synthesized MoS2 flakes which were prepared by grinding have been found to be rhombohedral crystals containing many stacking faults caused by glides between S/S layers.

Electrically assisted bandedge mode selection of photonic crystal lasing in chiral nematic liquid crystals

NASA Astrophysics Data System (ADS)

Wang, Chun-Ta; Chen, Chun-Wei; Yang, Tzu-Hsuan; Nys, Inge; Li, Cheng-Chang; Lin, Tsung-Hsien; Neyts, Kristiaan; Beeckman, Jeroen

2018-01-01

Selection of the bandedge lasing mode of a photonic crystal laser has been realized in a fluorescent dye doped chiral nematic liquid crystal by exerting electrical control over the mode competition. The bandedge lasing can be reversibly switched from the short-wavelength edge mode to the long-wavelength edge mode by applying a voltage of only 20 V, without tuning the bandgap. The underlying mechanism is the field-induced change in the order parameter of the fluorescent dye in the liquid crystal. The orientation of the transition dipole moment determines the polarization state of the dye emission, thereby promoting lasing in the bandedge mode that favors the emission polarization. Moreover, the dynamic mode-selection capability is retained upon polymer-stabilizing the chiral nematic liquid crystal laser. In the polymer-stabilized system, greatly improved stability and lasing performance are observed.

Phase transformations, anisotropic pyroelectric energy harvesting and electrocaloric properties of (Pb,La)(Zr,Sn,Ti)O3 single crystals.

PubMed

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

2017-05-31

(Pb,La)(Zr,Sn,Ti)O 3 (PLZST) single crystals with their chemical composition located at the tetragonal antiferroelectric region are grown via the flux method in a PbO-PbF 2 -B 2 O 3 mixture. Segregation of the Ti 4+ component in the as-grown crystals is observed due to the strong affinity between the oxygen anion and Ti 4+ ions. The critical electric field of the antiferroelectric to ferroelectric phase transition is determined to be about 0.5 kV mm -1 . The electric field induced ferroelectric phase transforms back into the antiferroelectric phase at a depolarization temperature of 125 °C. Anisotropy of the harvested energy density and electrocaloric behaviors are achieved for the [100], [110] and [111]-oriented PLZST crystals. Based on the thermodynamic theory approach, all the abovementioned behaviors originate from the anisotropic total entropy change. Enhanced electrocaloric strength (0.3 K mm kV -1 ) and the harvested energy density of 0.62 J cm -3 are obtained in the [111]-oriented PLZST crystals. Our results demonstrate the competence of PLZST single crystals for cooling devices and pyroelectric energy harvesting and provide new opportunities to improve energy harvesting density and electrocaloric properties via the anisotropic structural layout, which make the PLZST crystals attractive for solid state cooling devices and energy conversion technologies.

Solubility of NaCl in water and its melting point by molecular dynamics in the slab geometry and a new BK3-compatible force field

NASA Astrophysics Data System (ADS)

Kolafa, Jiří

2016-11-01

Saturated concentration of rock salt in water is determined by a simulation of brine in contact with a crystal in the slab geometry. The NaCl crystals are rotated to expose facets with higher Miller indices than [001] to brine. The rock salt melting point is obtained by both the standard and adiabatic simulations in the slab geometry with attention paid to finite size effects as well as to a possible influence of facets with higher Miller indices and applied stress. Two force fields are used, the Lennard-Jones-based model by Young and Cheatham with SPC/E water and the Kiss and Baranyai polarizable model with BK3 water. The latter model is refitted to thermomechanical properties of crystal NaCl leading to better values of solubility and the melting point.

Solubility of NaCl in water and its melting point by molecular dynamics in the slab geometry and a new BK3-compatible force field.

PubMed

Kolafa, Jiří

2016-11-28

Saturated concentration of rock salt in water is determined by a simulation of brine in contact with a crystal in the slab geometry. The NaCl crystals are rotated to expose facets with higher Miller indices than [001] to brine. The rock salt melting point is obtained by both the standard and adiabatic simulations in the slab geometry with attention paid to finite size effects as well as to a possible influence of facets with higher Miller indices and applied stress. Two force fields are used, the Lennard-Jones-based model by Young and Cheatham with SPC/E water and the Kiss and Baranyai polarizable model with BK3 water. The latter model is refitted to thermomechanical properties of crystal NaCl leading to better values of solubility and the melting point.

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.

Wavelength-scale photonic-crystal laser formed by electron-beam-induced nano-block deposition.

PubMed

Seo, Min-Kyo; Kang, Ju-Hyung; Kim, Myung-Ki; Ahn, Byeong-Hyeon; Kim, Ju-Young; Jeong, Kwang-Yong; Park, Hong-Gyu; Lee, Yong-Hee

2009-04-13

A wavelength-scale cavity is generated by printing a carbonaceous nano-block on a photonic-crystal waveguide. The nanometer-size carbonaceous block is grown at a pre-determined region by the electron-beam-induced deposition method. The wavelength-scale photonic-crystal cavity operates as a single mode laser, near 1550 nm with threshold of approximately 100 microW at room temperature. Finite-difference time-domain computations show that a high-quality-factor cavity mode is defined around the nano-block with resonant wavelength slightly longer than the dispersion-edge of the photonic-crystal waveguide. Measured near-field images exhibit photon distribution well-localized in the proximity of the printed nano-block. Linearly-polarized emission along the vertical direction is also observed.

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.

Strain Analysis of Stretched Tourmaline Crystals Using ImageJ, Microsoft Excel and PowerPoint

NASA Astrophysics Data System (ADS)

Bosbyshell, H.

2012-12-01

This poster describes an undergraduate structural geology lab exercise utilizing the Mohr's circle diagram for finite strain, constructed using measurements obtained from stretched tourmaline crystals. A small building housing HVAC equipment at the south end of West Chester University's Recitation Hall (itself made of serpentinite) is constructed of early-Cambrian Chickies Quartzite. Stretched tourmaline crystals, with segments joined by fibrous quartz, are visible on many surfaces (presumably originally bedding). While the original orientation of any stone is unknown, these rocks provide an opportunity for a short field exercise during a two-hour lab period and a great base for conducting strain analysis. It is always fun to ask how many in the class have ever noticed the tourmaline (few have). Students take photos using their cell phones or cameras. Since strain is a ratio the absolute size of the tourmaline crystals is immaterial. Nonetheless, this is a good opportunity to remind students of the importance of including a scale in their photographs. The photos are opened in ImageJ and the line tool is used to determine the original and final lengths of selected crystals. Students calculate strain parameters using Microsoft Excel. Then, we use Adobe Illustrator or the drafting capabilities of Microsoft PowerPoint 2010 to follow Ramsay and Huber's techniques using a Mohr's circle construction to determine the finite strain ellipse. If a stretching direction can be estimated, elongation of two crystals is all that is required to determine the strain ratio. If no stretching direction is apparent, three crystals are required for a more complicated analysis that allows for determination of the stretching direction, as well as the strain ratio.

Magnetic excitations in praseodymium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Houmann, J.G.; Rainford, B.D.; Jensen, J.

1979-08-01

The magnetic excitations in a single crystal of dhcp Pr have been studied by inelastic neutron scattering. The excitations on the hexagonal sites, and their dependence on magnetic fields up to 43 kOe applied in the basal plane, have been analyzed in terms of a Hamiltonian in which exchange, crystal-field, and magnetoelastic interactions are included. The exchange is found to be strongly anisotropic, and this anisotropy is manifested directly in a splitting of most branches of the dispersion relations. By considering a variety of magnetic properties, we have been able to determine the crystal-field level scheme for the hexagonal sitesmore » fairly unambiguously. The first excited level is 3.5 meV above the ground state. The value of the magnetoelastic coupling deduced from the excitations is in good agreement with values obtained from other measurements. A field-dependent interaction with the phonons has been observed, and a pronounced broadening of the acoustic excitations of long wavelength is ascribed to the influence of the conduction electrons. The first excited state on the cubic ions is about 8.3 meV above the ground state. The corresponding excitations show a pronounced dispersion, but the exchange anisotropy is of less importance than for the hexagonal sites.« less

Study on growth techniques and macro defects of large-size Nd:YAG laser crystal

NASA Astrophysics Data System (ADS)

Quan, Jiliang; Yang, Xin; Yang, Mingming; Ma, Decai; Huang, Jinqiang; Zhu, Yunzhong; Wang, Biao

2018-02-01

Large-size neodymium-doped yttrium aluminum garnet (Nd:YAG) single crystals were grown by the Czochralski method. The extinction ratio and wavefront distortion of the crystal were tested to determine the optical homogeneity. Moreover, under different growth conditions, the macro defects of inclusion, striations, and cracking in the as-grown Nd:YAG crystals were analyzed. Specifically, the inclusion defects were characterized using scanning electron microscopy and energy dispersive spectroscopy. The stresses of growth striations and cracking were studied via a parallel plane polariscope. These results demonstrate that improper growth parameters and temperature fields can enhance defects significantly. Thus, by adjusting the growth parameters and optimizing the thermal environment, high-optical-quality Nd:YAG crystals with a diameter of 80 mm and a total length of 400 mm have been obtained successfully.

Protein crystal nucleation in pores.

PubMed

Nanev, Christo N; Saridakis, Emmanuel; Chayen, Naomi E

2017-01-16

The most powerful method for protein structure determination is X-ray crystallography which relies on the availability of high quality crystals. Obtaining protein crystals is a major bottleneck, and inducing their nucleation is of crucial importance in this field. An effective method to form crystals is to introduce nucleation-inducing heterologous materials into the crystallization solution. Porous materials are exceptionally effective at inducing nucleation. It is shown here that a combined diffusion-adsorption effect can increase protein concentration inside pores, which enables crystal nucleation even under conditions where heterogeneous nucleation on flat surfaces is absent. Provided the pore is sufficiently narrow, protein molecules approach its walls and adsorb more frequently than they can escape. The decrease in the nucleation energy barrier is calculated, exhibiting its quantitative dependence on the confinement space and the energy of interaction with the pore walls. These results provide a detailed explanation of the effectiveness of porous materials for nucleation of protein crystals, and will be useful for optimal design of such materials.

Determination of small field synthetic single-crystal diamond detector correction factors for CyberKnife, Leksell Gamma Knife Perfexion and linear accelerator.

PubMed

Veselsky, T; Novotny, J; Pastykova, V; Koniarova, I

2017-12-01

The aim of this study was to determine small field correction factors for a synthetic single-crystal diamond detector (PTW microDiamond) for routine use in clinical dosimetric measurements. Correction factors following small field Alfonso formalism were calculated by comparison of PTW microDiamond measured ratio M Qclin fclin /M Qmsr fmsr with Monte Carlo (MC) based field output factors Ω Qclin,Qmsr fclin,fmsr determined using Dosimetry Diode E or with MC simulation itself. Diode measurements were used for the CyberKnife and Varian Clinac 2100C/D linear accelerator. PTW microDiamond correction factors for Leksell Gamma Knife (LGK) were derived using MC simulated reference values from the manufacturer. PTW microDiamond correction factors for CyberKnife field sizes 25-5 mm were mostly smaller than 1% (except for 2.9% for 5 mm Iris field and 1.4% for 7.5 mm fixed cone field). The correction of 0.1% and 2.0% for 8 mm and 4 mm collimators, respectively, needed to be applied to PTW microDiamond measurements for LGK Perfexion. Finally, PTW microDiamond M Qclin fclin /M Qmsr fmsr for the linear accelerator varied from MC corrected Dosimetry Diode data by less than 0.5% (except for 1 × 1 cm 2 field size with 1.3% deviation). Regarding low resulting correction factor values, the PTW microDiamond detector may be considered an almost ideal tool for relative small field dosimetry in a large variety of stereotactic and radiosurgery treatment devices. Copyright © 2017 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Crystallization kinetics of bioactive glasses in the ZnO-Na2O-CaO-SiO2 system.

PubMed

Malavasi, Gianluca; Lusvardi, Gigliola; Pedone, Alfonso; Menziani, Maria Cristina; Dappiaggi, Monica; Gualtieri, Alessandro; Menabue, Ledi

2007-08-30

The crystallization kinetics of Na(2)O.CaO.2SiO(2) (x = 0) and 0.68ZnO.Na(2)O.CaO.2SiO(2) (x = 0.68, where x is the ZnO stoichiometric coefficient in the glass formula) bioactive glasses have been studied using both nonisothermal and isothermal methods. The results obtained from isothermal XRPD analyses have showed that the first glass crystallizes into the isochemical Na(2)CaSi(2)O(6) phase, whereas the Na(2)ZnSiO(4) crystalline phase is obtained from the Zn-rich glass, in addition to Na(2)CaSi(2)O(6). The activation energy (Ea) for the crystallization of the Na(2)O.CaO.2SiO(2) glass is 193 +/- 10 and 203 +/- 5 kJ/mol from the isothermal in situ XRPD and nonisothermal DSC experiments, respectively. The Avrami exponent n determined from the isothermal method is 1 at low temperature (530 degrees C), and its value increases linearly with temperature increase up to 2 at 607 degrees C. For the crystallization of Na(2)CaSi(2)O(6) from the Zn-containing glass, higher values of both the crystallization temperature (667 and 661 degrees C) and Ea (223 +/- 10 and 211 +/- 5 kJ/mol) have been found from the isothermal and nonisothermal methods, respectively. The Na(2)ZnSiO(4) crystalline phase crystallizes at lower temperature with respect to Na(2)CaSi(2)O(6), and the Ea value is 266 +/- 20 and 245 +/- 15 kJ/mol from the isothermal and nonisothermal methods, respectively. The results of this work show that the addition of Zn favors the crystallization from the glass at lower temperature with respect to the Zn-free glass. In fact, it causes an increase of Ea for the Na diffusion process, determined using MD simulations, and consequently an overall increase of Ea for the crystallization process of Na(2)CaSi(2)O(6). Our results show good agreement between the Ea and n values obtained with the two different methods and confirm the reliability of the nonisothermal method applied to kinetic crystallization of glassy systems. This study allows the determination of the temperature stability field of the crystalline phases with the view of creating a different glass ceramic useful in the field of bioactive materials.

Liquid phase electroepitaxial bulk growth of binary and ternary alloy semiconductors under external magnetic field

NASA Astrophysics Data System (ADS)

Sheibani, Hamdi

2002-01-01

Liquid Phase Electroepitaxy (LPEE) and is a relatively new, promising technique for producing high quality, thick compound semiconductors and their alloys. The main objectives are to reduce the adverse effect of natural convection and to determine the optimum growth conditions for reproducible desired crystals for the optoelectronic and electronic device industry. Among the available techniques for suppressing the adverse effect of natural convection, the application of an external magnetic field seems the most feasible one. The research work in this dissertation consists of two parts. The first part is focused on the design and development of a state of the art LPEE facility with a novel crucible design, that can produce bulk crystals of quality higher than those achieved by the existing LPEE system. A growth procedure was developed to take advantage of this novel crucible design. The research of the growth of InGaAs single crystals presented in this thesis will be a basis for the future LPEE growth of other important material and is an ideal vehicle for the development of a ternary crystal growth process. The second part of the research program is the experimental study of the LPEE growth process of high quality bulk single crystals of binary/ternary semiconductors under applied magnetic field. The compositional uniformity of grown crystals was measured by Electron Probe Micro-analysis (EPMA) and X-ray microanalysis. The state-of-the-art LPEE system developed at University of Victoria, because of its novel design features, has achieved a growth rate of about 4.5 mm/day (with the application of an external fixed magnetic field of 4.5 KGauss and 3 A/cm2 electric current density), and a growth rate of about 11 mm/day (with 4.5 KGauss magnetic field and 7 A/cm2 electric current density). This achievement is simply a breakthrough in LPEE, making this growth technique absolutely a bulk growth technique and putting it in competition with other bulk growth techniques. The growth rates achieved can even be higher for higher electric current and magnetic field intensities. (Abstract shortened by UMI.)

Visualization of Electronic Multiple Ordering and Its Dynamics in High Magnetic Field: Evidence of Electronic Multiple Ordering Crystals.

PubMed

Sheng, Zhigao; Feng, Qiyuan; Zhou, Haibiao; Dong, Shuai; Xu, Xueli; Cheng, Long; Liu, Caixing; Hou, Yubin; Meng, Wenjie; Sun, Yuping; Nakamura, Masao; Tokura, Yoshinori; Kawasaki, Masashi; Lu, Qingyou

2018-06-13

Constituent atoms and electrons determine matter properties together, and they can form long-range ordering respectively. Distinguishing and isolating the electronic ordering out from the lattice crystal is a crucial issue in contemporary materials science. However, the intrinsic structure of a long-range electronic ordering is difficult to observe because it can be easily affected by many external factors. Here, we present the observation of electronic multiple ordering (EMO) and its dynamics at the micrometer scale in a manganite thin film. The strong internal couplings among multiple electronic degrees of freedom in the EMO make its morphology robust against external factors and visible via well-defined boundaries along specific axes and cleavage planes, which behave like a multiple-ordered electronic crystal. A strong magnetic field up to 17.6 T is needed to completely melt such EMO at 7 K, and the corresponding formation, motion, and annihilation dynamics are imaged utilizing a home-built high-field magnetic force microscope. The EMO is parasitic within the lattice crystal house, but its dynamics follows its own rules of electronic correlation, therefore becoming distinguishable and isolatable as the electronic ordering. Our work provides a microscopic foundation for the understanding and control of the electronic ordering and the designs of the corresponding devices.

Single-crystal EPR spectra of the first alternating bimetallic chain compound MnCu(obp)(H2O)3·H2O (obp=oxamido bis(n,n‧-propionato))

NASA Astrophysics Data System (ADS)

Gatteschi, Dante; Zanchini, Claudia; Kahn, Olivier; Pei, Yu

1989-08-01

Single-crystal EPR spectra of the heterobimetallic alternating double-chain compound MnCu(obp) (H 2O) 3·H 2O (obp=oxamido bis (N,N'-propionato)) were recorded in the 300-20 K range. Analysis of the spectra indicate a substantially dipolar-determined linewidth with enhancement of the secular term of the second moment due to spin diffusion effects. The anisotropic shifts in the resonance field observed in low-temperature spectra revealed that interchain interactions are relevant in determining the preferred spin orientations.

Doping- and irradiation-controlled pinning of vortices in BaFe 2 (As 1 - x P x ) 2 single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fang, L.; Jia, Y.; Schlueter, J. A.

We report on the systematic evolution of vortex pinning behavior in isovalent doped single crystals of BaFe 2 (As 1 - x P x ) 2 . Proceeding from optimal doped to overdoped samples, we find a clear transformation of the magnetization hysteresis from a fishtail behavior to a distinct peak effect, followed by a reversible magnetization and Bean-Livingston surface barriers. Strong point pinning dominates the vortex behavior at low fields whereas weak collective pinning determines the behavior at higher fields. In addition to doping effects, we show that particle irradiation by energetic protons can tune vortex pinning in thesemore » materials.« less

Doping- and irradiation-controlled pinning of vortices in BaFe{<_2}(As{<_1-x}P{<_x}){<_2} single crystals.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fang, L.; Jia, Y.; Schlueter, J. A.

We report on the systematic evolution of vortex pinning behavior in isovalent doped single crystals of BaFe{sub 2}(As{sub 1-x}P{sub x}){sub 2}. Proceeding from optimal doped to overdoped samples, we find a clear transformation of the magnetization hysteresis from a fishtail behavior to a distinct peak effect, followed by a reversible magnetization and Bean-Livingston surface barriers. Strong point pinning dominates the vortex behavior at low fields whereas weak collective pinning determines the behavior at higher fields. In addition to doping effects, we show that particle irradiation by energetic protons can tune vortex pinning in these materials.

Impact and Penetration Problems.

DTIC Science & Technology

1981-03-16

constant is now determined theoretically. iii) By utilizing the formal similarity between the two criteria (1) and (3), we can predict the theoretical...cohesive strengths of various crystals. Once the experimental value for y is given, the calculations can be carried 4 out easily to determine the...analytical solution to the mixed boundary value problem yields the nonlocal displacement and stress fields. The nonlocal parameter c is determined by

Energetic band structure of Zn3P2 crystals

NASA Astrophysics Data System (ADS)

Stamov, I. G.; Syrbu, N. N.; Dorogan, A. V.

2013-01-01

Optical functions n, k, ε1, ε2 and d2ε2/dE2 have been determined from experimental reflection spectra in the region of 1-10 eV. The revealed electronic transitions are localized in the Brillouin zone. The magnitude of valence band splitting caused by the spin-orbital interaction ΔSO is lower than the splitting caused by the crystal field ΔCR in the center of Brillouin zone and L and X points. The switching effects are investigated in Zn3P2 crystals. The characteristics of experimental samples with electric switching, adjustable resistors, and time relays based on Zn3P2 are presented.

Automated identification and indexing of dislocations in crystal interfaces

DOE PAGES

Stukowski, Alexander; Bulatov, Vasily V.; Arsenlis, Athanasios

2012-10-31

Here, we present a computational method for identifying partial and interfacial dislocations in atomistic models of crystals with defects. Our automated algorithm is based on a discrete Burgers circuit integral over the elastic displacement field and is not limited to specific lattices or dislocation types. Dislocations in grain boundaries and other interfaces are identified by mapping atomic bonds from the dislocated interface to an ideal template configuration of the coherent interface to reveal incompatible displacements induced by dislocations and to determine their Burgers vectors. Additionally, the algorithm generates a continuous line representation of each dislocation segment in the crystal andmore » also identifies dislocation junctions.« less

Ising versus XY anisotropy in frustrated R(2)Ti(2)O(7) compounds as "Seen" by Polarized Neutrons.

PubMed

Cao, H; Gukasov, A; Mirebeau, I; Bonville, P; Decorse, C; Dhalenne, G

2009-07-31

We studied the field induced magnetic order in R(2)Ti(2)O(7) pyrochlore compounds with either uniaxial (R=Ho, Tb) or planar (R=Er, Yb) anisotropy, by polarized neutron diffraction. The determination of the local susceptibility tensor {chi(parallel to),chi(perpendicular)} provides a universal description of the field induced structures in the paramagnetic phase (2-270 K), whatever the field value (1-7 T) and direction. Comparison of the thermal variations of chi(parallel to) and chi(perpendicular) with calculations using the rare earth crystal field shows that exchange and dipolar interactions must be taken into account. We determine the molecular field tensor in each case and show that it can be strongly anisotropic.

Determination of the magnetization scaling exponent for single-crystal La0.8Sr0.2MnO3 by broadband microwave surface impedance measurements

NASA Astrophysics Data System (ADS)

Schwartz, Andrew; Scheffler, Marc; Anlage, Steven M.

2000-01-01

Employing a broadband microwave reflection configuration, we have measured the complex surface impedance, ZS(ω,T), of single-crystal La0.8Sr0.2MnO3, as a function of frequency (0.045-45 GHz) and temperature (250-325 K). Through the dependence of the microwave surface impedance on the magnetic permeability, μ⁁(ω,T), we have studied the local magnetic behavior of this material, and have extracted the spontaneous magnetization, M0(T), in zero applied field. The broadband nature of these measurements and the fact that no external field is applied to the material provide a unique opportunity to analyze the critical behavior of the spontaneous magnetization at temperatures very close to the ferromagnetic phase transition. We find a Curie temperature TC=305.5+/-0.5 K and scaling exponent β=0.45+/-0.05, in agreement with the prediction of mean-field theory. We also discuss other recent determinations of the magnetization critical exponent in this and similar materials and show why our results are more definitive.

A structural analysis of small vapor-deposited 'multiply twinned' gold particles

NASA Technical Reports Server (NTRS)

Yang, C. Y.; Heinemann, K.; Yacaman, M. J.; Poppa, H.

1979-01-01

High resolution selected zone dark field, Bragg reflection imaging and weak beam dark field techniques of transmission electron microscopy were used to determine the structure of small gold particles vapor deposited on NaCl substrates. Attention was focused on the analysis of those particles in the 50-150 A range that have pentagonal or hexagonal bright field profiles. These particles have been previously described as multiply twinned crystallites composed of face-centered cubic tetrahedra. The experimental evidence of the present studies can be interpreted on the assumption that the particle structure is a regular icosahedron or decahedron for the hexagonal or the pentagonal particles respectively. The icosahedron is a multiply twinned rhombohedral crystal and the decahedron is a multiply twinned body-centered orthorhombic crystal, each of which constitutes a slight distortion from the face-centered cubic structure.

Lanthanides in molecular magnetism: old tools in a new field.

PubMed

Sorace, Lorenzo; Benelli, Cristiano; Gatteschi, Dante

2011-06-01

In this tutorial review we discuss some basic aspects concerning the magnetic properties of rare-earth ions, which are currently the subject of a renovated interest in the field of molecular magnetism, after the discovery that slow relaxation of the magnetization at liquid nitrogen temperature can occur in mononuclear complexes of these ions. Focusing on Dy(III) derivatives a tutorial discussion is given of the relation of the crystal field parameters, which determine the anisotropy of these systems and consequently their interesting magnetic properties, with the geometry of the coordination sphere around the lanthanide centre and with the pattern of f orbitals. The problem of systems of low point symmetry is also addressed by showing how detailed single crystal investigation, coupled to more sophisticated calculation procedures, is an absolute necessity to obtain meaningful structure-property relationships in these systems.

Computational crystallization.

PubMed

Altan, Irem; Charbonneau, Patrick; Snell, Edward H

2016-07-15

Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one of trial and error. In this article, efforts in the field are discussed together with a theoretical underpinning using a solubility phase diagram. Prior knowledge has been used to develop tools that computationally predict the crystallization outcome and define mutational approaches that enhance the likelihood of crystallization. For the most part these tools are based on binary outcomes (crystal or no crystal), and the full information contained in an assembly of crystallization screening experiments is lost. The potential of this additional information is illustrated by examples where new biological knowledge can be obtained and where a target can be sub-categorized to predict which class of reagents provides the crystallization driving force. Computational analysis of crystallization requires complete and correctly formatted data. While massive crystallization screening efforts are under way, the data available from many of these studies are sparse. The potential for this data and the steps needed to realize this potential are discussed. Copyright © 2016 Elsevier Inc. All rights reserved.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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

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

Field and experimental constraints on the rheology of arc basaltic lavas: the January 2014 Eruption of Pacaya (Guatemala)

NASA Astrophysics Data System (ADS)

Soldati, A.; Sehlke, A.; Chigna, G.; Whittington, A.

2016-06-01

We estimated the rheology of an active basaltic lava flow in the field, and compared it with experimental measurements carried out in the laboratory. In the field we mapped, sampled, and recorded videos of the 2014 flow on the southern flank of Pacaya, Guatemala. Velocimetry data extracted from videos allowed us to determine that lava traveled at ˜2.8 m/s on the steep ˜45° slope 50 m from the vent, while 550 m further downflow it was moving at only ˜0.3 m/s on a ˜4° slope. Estimates of effective viscosity based on Jeffreys' equation increased from ˜7600 Pa s near the vent to ˜28,000 Pa s downflow. In the laboratory, we measured the viscosity of a representative lava composition using a concentric cylinder viscometer, at five different temperatures between 1234 and 1199 °C, with crystallinity increasing from 0.1 to 40 vol%. The rheological data were best fit by power law equations, with the flow index decreasing as crystal fraction increased, and no detectable yield strength. Although field-based estimates are based on lava characterized by a lower temperature, higher crystal and bubble fraction, and with a more complex petrographic texture, field estimates and laboratory measurements are mutually consistent and both indicate shear-thinning behavior. The complementary field and laboratory data sets allowed us to isolate the effects of different factors in determining the rheological evolution of the 2014 Pacaya flows. We assess the contributions of cooling, crystallization, and changing ground slope to the 3.7-fold increase in effective viscosity observed in the field over 550 m, and conclude that decreasing slope is the single most important factor over that distance. It follows that the complex relations between slope, flow velocity, and non-Newtonian lava rheology need to be incorporated into models of lava flow emplacement.

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

NASA Astrophysics Data System (ADS)

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

1998-11-01

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

A comparative study of the influence of buoyancy driven fluid flow on GaAs crystal growth

NASA Technical Reports Server (NTRS)

Kafalas, J. A.; Bellows, A. H.

1988-01-01

A systematic investigation of the effect of gravity driven fluid flow on GaAs crystal growth was performed. It includes GaAs crystal growth in the microgravity environment aboard the Space Shuttle. The program involves a controlled comparative study of crystal growth under a variety of earth based conditions with variable orientation and applied magnetic field in addition to the microgravity growth. Earth based growth will be performed under stabilizing as well as destabilizing temperature gradients. The boules grown in space and on earth will be fully characterized to correlate the degree of convection with the distribution of impurities. Both macro- and micro-segregation will be determined. The space growth experiment will be flown in a self-contained payload container through NASA's Get Away Special program.

The ESFRI Instruct Core Centre Frankfurt: automated high-throughput crystallization suited for membrane proteins and more.

PubMed

Thielmann, Yvonne; Koepke, Juergen; Michel, Hartmut

2012-06-01

Structure determination of membrane proteins and membrane protein complexes is still a very challenging field. To facilitate the work on membrane proteins the Core Centre follows a strategy that comprises four labs of protein analytics and crystal handling, covering mass spectrometry, calorimetry, crystallization and X-ray diffraction. This general workflow is presented and a capacity of 20% of the operating time of all systems is provided to the European structural biology community within the ESFRI Instruct program. A description of the crystallization service offered at the Core Centre is given with detailed information on screening strategy, screens used and changes to adapt high throughput for membrane proteins. Our aim is to constantly develop the Core Centre towards the usage of more efficient methods. This strategy might also include the ability to automate all steps from crystallization trials to crystal screening; here we look ahead how this aim might be realized at the Core Centre.

Hot Views on Cold Crystals: The Application of Thermal Imaging in Cryo-crystallography

NASA Technical Reports Server (NTRS)

Snell, E. H.; vanderWoerd, M. J.; Deacon, A.

2003-01-01

In the past we have used thermal imaging techniques to visualize the cryocooling processes of macromolecular crystals. From these images it was clear that a cold wave progresses through a crystal starting at the face closest to the origin of the cold stream and ending at the point furthest away. During these studies we used large volume crystals, which were clearly distinguished from the loop holding them. These large crystals, originally grown for neutron diffraction studies, were chosen deliberately to enhance the imaging. As an extension to this work, we present used thermal imaging to study small crystals, held in a cryo-loop, in the presence of vitrified mother liquor. The different infrared transmission and reflectance properties of the crystal in comparison to the mother liquor surrounding it are thought to be the parameter that produces the contrast that makes the crystal visible. An application of this technology may be the determination of the exact location of small crystals in a cryo-loop. Data from initial tests in support of application development was recorded for lysozyme crystals and for bFGF/dna complex crystals, which were cryo-cooled and imaged in large loops, both with visible light and with infrared radiation. The crystals were clearly distinguished from the vitrified solution in the infrared spectrum, while in the case of the bFGF/dna complex the illumination had to be carefully manipulated to make the crystal visible in the visible spectrum. These results suggest that the thermal imaging may be more sensitive than visual imaging for automated location of small crystals. However, further work on small crystals robotically mounted at SSRL did not clearly visualize those crystals. The depth of field of the camera proved to be limiting and a different cooling geometry was used, compared to the previous, successful experiments. Analysis to exploit multiple images to improve depth of field and experimental work to understand cooling geometry effects is ongoing. These results will be presented along with advantages and disadvantages of the technique and a discussion of how it might be applied.

Hot Views on Cold Crystals: The Application of Thermal Imaging in Cryocrystallography

NASA Technical Reports Server (NTRS)

Snell, Eddie H.

2003-01-01

In the past we have used thermal imaging techniques to visualize the cryocooling processes of macromolecular crystals. From these images it was clear that a cold wave progresses through a crystal starting at the face closest to the origin of the cold stream and ending at the point furthest away. During these studies we used large volume crystals, which were clearly distinguished from the loop holding them. These large crystals, originally grown for neutron diffraction studies, were chosen deliberately to enhance the imaging. As an extension to this work, we used thermal imaging to study small crystals, held in a cryo- loop, in the presence of vitrified mother liquor. The different infrared transmission and reflectance properties of the crystal in comparison to the mother liquor surrounding it are thought to be the parameter that produces the contrast that makes the crystal visible. An application of this technology may be the determination of the exact location of small crystals in a cryo-loop. Data from initial tests in support of application development was recorded for lysozyme crystals and for bFGF/dna complex crystals, which were cryo-cooled and imaged in large loops, both with visible light and with infrared radiation. The crystals were clearly distinguished from the vitrified solution in the infrared spectrum, while in the case of the bFGF/dna complex the illumination had to be carefully manipulated to make the crystal visible in the visible spectrum. These results suggest that the thermal imaging may be more sensitive than visual imaging for automated location of small crystals. However, further work on small crystals robotically mounted at SSRL did not clearly visualize those crystals. The depth of field of the camera proved to be limiting and a different cooling geometry was used, compared to the previous, successful experiments. Analysis to exploit multiple images to improve depth of field and experimental work to understand cooling geometry effects is ongoing. These results will be presented along with advantages and disadvantages of the technique and a discussion of how it might be applied .

Voltage sensing systems and methods for passive compensation of temperature related intrinsic phase shift

DOEpatents

Davidson, James R.; Lassahn, Gordon D.

2001-01-01

A small sized electro-optic voltage sensor capable of accurate measurement of high levels of voltages without contact with a conductor or voltage source is provided. When placed in the presence of an electric field, the sensor receives an input beam of electromagnetic radiation into the sensor. A polarization beam displacer serves as a filter to separate the input beam into two beams with orthogonal linear polarizations. The beam displacer is oriented in such a way as to rotate the linearly polarized beams such that they enter a Pockels crystal at a preferred angle of 45 degrees. The beam displacer is therefore capable of causing a linearly polarized beam to impinge a crystal at a desired angle independent of temperature. The Pockels electro-optic effect induces a differential phase shift on the major and minor axes of the input beam as it travels through the Pockels crystal, which causes the input beam to be elliptically polarized. A reflecting prism redirects the beam back through the crystal and the beam displacer. On the return path, the polarization beam displacer separates the elliptically polarized beam into two output beams of orthogonal linear polarization representing the major and minor axes. In crystals that introduce a phase differential attributable to temperature, a compensating crystal is provided to cancel the effect of temperature on the phase differential of the input beam. The system may include a detector for converting the output beams into electrical signals, and a signal processor for determining the voltage based on an analysis of the output beams. The output beams are amplitude modulated by the frequency of the electric field and the amplitude of the output beams is proportional to the magnitude of the electric field, which is related to the voltage being measured.

Single crystals of metal solid solutions: A study

NASA Technical Reports Server (NTRS)

Miller, J. F.; Gelles, S. H.

1975-01-01

Report describes growth of silver-alloy crystals under widely varying conditions of growth rate, temperature gradient, and magnetic field. Role of gravitation and convection on crystal substructure is analyzed, as well as influence of magnetic fields applied during crystallization.

Electrical characteristics of organic perylene single-crystal-based field-effect transistors

NASA Astrophysics Data System (ADS)

Lee, Jin-Woo; Kang, Han-Saem; Kim, Min-Ki; Kim, Kihyun; Cho, Mi-Yeon; Kwon, Young-Wan; Joo, Jinsoo; Kim, Jae-Il; Hong, Chang-Seop

2007-12-01

We report on the fabrication of organic field-effect transistors (OFETs) using perylene single crystal as the active material and their electrical characteristics. Perylene single crystals were directly grown from perylene powder in a furnace using a relatively short growth time of 1-3 h. The crystalline structure of the perylene single crystals was characterized by means of a single-crystal x-ray diffractometer. In order to place the perylene single crystal onto the Au electrodes of the field-effect transistor, a polymethlymethacrylate thin layer was spin-coated on top of the crystal surface. The OFETs fabricated using the perylene single crystal showed a typical p-type operating mode. The field-effect mobility of the perylene crystal based OFETs was measured to be ˜9.62×10-4 cm2/V s at room temperature. The anisotropy of the mobility implying the existence of different mobilities when applying currents in different directions was observed for the OFETs, and the existence of traps in the perylene crystal was found through the measurements of the temperature-dependent mobility at various operating drain voltages.

Low temperature Voigt effect in the terbium gallium garnet crystal.

PubMed

Akbar, Ali; Khalid, Muhammad Waleed; Anwar, Muhammad Sabieh

2017-11-27

Magnetic linear birefringence and dichroism are investigated for the paramagnetic terbium gallium garnet (TGG) single crystal in the temperature range 8-100 K. The reciprocal nature is confirmed for the linear birefringence. Furthermore a theoretical model is validated that describes the intermixing of linear and circular birefringence. The ellipticity and rotation of the polarization ellipse are investigated in the light of these measurements. These otherwise minuscule magnetically induced effects are amplified at cryogenic temperatures and are determined by a phase-sensitive technique based on the Fourier decomposition of detected signal intensities. The correspondent measurements also allow us to determine the Curie-Weiss constant corroborating the presence of a magnetically frustrated spin system. Additionally we show how the Voigt geometry enables determining the direction of a magnetic field.

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

PubMed Central

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

2013-01-01

Undoped and Er-doped NaY(WO4)2 disordered single crystals have been grown by the Czochralski technique. The specific heat and thermal conductivity (κ) of these crystals have been characterized from T = 4 K to 700 K and 360 K, respectively. It is shown that κ exhibits anisotropy characteristic of single crystals as well as a κ(T) behavior observed in glasses, with a saturation mean free phonon path of 3.6 Å and 4.5 Å for propagation along a and c crystal axes, respectively. The relative energy positions and irreducible representations of Stark Er3+ levels up to 4G7/2 multiplet have been determined by the combination of experimental low (<10 K) temperature optical absorption and photoluminescence measurements and simulations with a single-electron Hamiltonian including both free-ion and crystal field interactions. Absorption, emission and gain cross sections of the 4I13/2↔4I15/2 laser related transition have been determined at 77 K. The 4I13/2 Er3+ lifetime (τ) was measured in the temperature range of 77–300 K, and was found to change from τ (77K) ≈ 4.5 ms to τ (300K) ≈ 3.5 ms. Laser operation is demonstrated at 77 K and 300 K by resonantly pumping the 4I13/2 multiplet at λ≈1500 nm with a broadband (FWHM≈20 nm) diode laser source perfectly matching the 77 K crystal 4I15/2 → 4I13/2 absorption profile. At 77 K as much as 5.5 W of output power were obtained in π-polarized configuration with a slope efficiency versus absorbed pump power of 57%, the free running laser wavelength in air was λ≈1611 nm with the laser output bandwidth of 3.5 nm. The laser emission was tunable over 30.7 nm, from 1590.7 nm to 1621.4 nm, for the same π-polarized configuration. PMID:23555664

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Zhengru, E-mail: zrzhang@bnu.edu.cn; Ma, Yuan, E-mail: yuner1022@gmail.com; Qiao, Zhonghua, E-mail: zqiao@polyu.edu.hk

2013-09-15

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

Polarization control of quantum dot emission by chiral photonic crystal slabs

NASA Astrophysics Data System (ADS)

Lobanov, Sergey V.; Weiss, Thomas; Gippius, Nikolay A.; Tikhodeev, Sergei G.; Kulakovskii, Vladimir D.; Konishi, Kuniaki; Kuwata-Gonokami, Makoto

2015-04-01

We investigate theoretically the polarization properties of the quantum dot's optical emission from chiral photonic crystal structures made of achiral materials in the absence of external magnetic field at room temperature. The mirror symmetry of the local electromagnetic field is broken in this system due to the decreased symmetry of the chiral modulated layer. As a result, the radiation of randomly polarized quantum dots normal to the structure becomes partially circularly polarized. The sign and degree of circular polarization are determined by the geometry of the chiral modulated structure and depend on the radiation frequency. A degree of circular polarization up to 99% can be achieved for randomly distributed quantum dots, and can be close to 100% for some single quantum dots.

Polarization control of quantum dot emission by chiral photonic crystal slabs.

PubMed

Lobanov, Sergey V; Weiss, Thomas; Gippius, Nikolay A; Tikhodeev, Sergei G; Kulakovskii, Vladimir D; Konishi, Kuniaki; Kuwata-Gonokami, Makoto

2015-04-01

We investigate theoretically the polarization properties of the quantum dot's (QDs) optical emission from chiral photonic crystal structures made of achiral materials in the absence of external magnetic field at room temperature. The mirror symmetry of the local electromagnetic field is broken in this system due to the decreased symmetry of the chiral modulated layer. As a result, the radiation of randomly polarized QDs normal to the structure becomes partially circularly polarized. The sign and degree of circular polarization are determined by the geometry of the chiral modulated structure and depend on the radiation frequency. A degree of circular polarization up to 99% can be achieved for randomly distributed QDs, and can be close to 100% for some single QDs.

The roles of 4f- and 5f-orbitals in bonding: A magnetochemical, crystal field, density functional theory, and multi-reference wavefunction study

DOE PAGES

Lukens, Wayne W.; Speldrich, Manfred; Yang, Ping; ...

2016-05-31

The electronic structures of 4f 3/5f 3 Cp" 3M and Cp" 3M·alkylisocyanide complexes, where Cp" is 1,3-bis-(trimethylsilyl)cyclopentadienyl, are explored with a focus on the splitting of the f-orbitals, which provides information about the strengths of the metal–ligand interactions. While the f-orbital splitting in many lanthanide complexes has been reported in detail, experimental determination of the f-orbital splitting in actinide complexes remains rare in systems other than halide and oxide compounds, since the experimental approach, crystal field analysis, is generally significantly more difficult for actinide complexes than for lanthanide complexes. In this study, a set of analogous neodymium(III) and uranium(III) tris-cyclopentadienylmore » complexes and their isocyanide adducts was characterized by electron paramagnetic resonance (EPR) spectroscopy and magnetic susceptibility. The crystal field model was parameterized by combined fitting of EPR and susceptibility data, yielding an accurate description of f-orbital splitting. The isocyanide derivatives were also studied using density functional theory, resulting in f-orbital splitting that is consistent with crystal field fitting, and by multi-reference wavefunction calculations that support the electronic structure analysis derived from the crystal-field calculations. The results highlight that the 5f-orbitals, but not the 4f-orbitals, are significantly involved in bonding to the isocyanide ligands. The main interaction between isocyanide ligand and the metal center is a σ-bond, with additional 5f to π* donation for the uranium complexes. As a result, while interaction with the isocyanide π*-orbitals lowers the energies of the 5f xz2 and 5f yz2-orbitals, spin–orbit coupling greatly reduces the population of 5f xz2 and 5f yz2 in the ground state.« less

Probing Core Processes in the Earth and Small Bodies Using Paleomagnetism

NASA Astrophysics Data System (ADS)

Fu, R. R.; Weiss, B. P.; Lima, E. A.; Glenn, D. R.; Kehayias, P.; Walsworth, R. L.

2015-12-01

Convective motion in the cores of differentiated metal-silicate bodies may sustain a global dynamo magnetic field. Progressive crystallization in a dynamo-generating core is expected to play a central role in determining the observable properties of the hosted magnetic field. Importantly, the release of light elements and latent heat during core crystallization is a key source of entropy for sustaining core convection. Therefore, the persistence and intensity of a dynamo magnetic field depend directly on the extent and style of core crystallization. We present and discuss paleomagnetic data from the Earth and asteroid-sized bodies to characterize internally generated magnetic fields during the early histories of these objects. In the case of the Earth, recent and ongoing paleomagnetic experiments of zircons from the Jack Hills of Australia can potentially constrain the existence and intensity of the geodynamo before 3.5 Ga. If robust, such measurements hold strong implications for the energy budget of the Earth's early core and the dynamics of the early mantle. We will discuss both recently published and preliminary results and assess carefully the challenges and uncertainties of paleomagnetic experimentation on ancient zircon samples. In the case of small bodies, several classes of meteorites record ancient magnetic fields likely produced by core dynamos on their parent bodies. Data from the CV carbonaceous chondrites and pallasites indicate that dynamos in planetesimal-sized bodies persisted for a broad range of timescales between ~10 My and >100 My. Meanwhile, measurements of the angrite group of achondrites show that their earliest-forming members crystallized in an almost non-magnetic environment, suggesting a delayed onset of the planetesimal dynamo until several My after initial differentiation. We will discuss the possible causes for this observed diversity of small body dynamo properties, including the role of core crystallization and the distribution of short-lived radioisotopes.

Three-dimensional Bragg coherent diffraction imaging of an extended ZnO crystal.

PubMed

Huang, Xiaojing; Harder, Ross; Leake, Steven; Clark, Jesse; Robinson, Ian

2012-08-01

A complex three-dimensional quantitative image of an extended zinc oxide (ZnO) crystal has been obtained using Bragg coherent diffraction imaging integrated with ptychography. By scanning a 2.5 µm-long arm of a ZnO tetrapod across a 1.3 µm X-ray beam with fine step sizes while measuring a three-dimensional diffraction pattern at each scan spot, the three-dimensional electron density and projected displacement field of the entire crystal were recovered. The simultaneously reconstructed complex wavefront of the illumination combined with its coherence properties determined by a partial coherence analysis implemented in the reconstruction process provide a comprehensive characterization of the incident X-ray beam.

Controlled sub-nanometer tuning of photonic crystal resonator by carbonaceous nano-dots.

PubMed

Seo, Min-Kyo; Park, Hong-Gyu; Yang, Jin-Kyu; Kim, Ju-Young; Kim, Se-Heon; Lee, Yong-Hee

2008-06-23

We propose and demonstrate a scheme that enables spectral tuning of a photonic crystal high-quality resonant mode, in steps finer than 0.2 nm, via electron beam induced deposition of carbonaceous nano-dots. The position and size of a nano-dot with a diameter of <100 nm are controlled to an accuracy on the order of nanometers. The possibility of selective modal tuning is also demonstrated by placing nano-dots at locations pre-determined by theoretical computation. The lasing threshold of a photonic crystal mode tends to increase when a nano-dot is grown at the point of strong electric field, showing the absorptive nature of the nano-dot.

Hot Stuff? Thermal Imaging Applied to Cryocrystallography

NASA Technical Reports Server (NTRS)

Snell, E. H.

2004-01-01

In the past we have used thermal imaging techniques to visualize the cryocooling processes of macromolecular crystals. From these images it was clear that a cold wave progresses through a crystal starting at the face closest to the origin of the cold stream and ending at the point furthest away. During these studies we used large volume crystals, which were clearly distinguished fiom the loop holding them. These large crystals, originally grown for neutron diffiaction studies, were chosen deliberately to enhance the imaging. As an extension to this work, we present used thermal imaging to study small crystals, held in a cryo-loop, in the presence of vitrified mother liquor. The different d a r e d transmission and reflectance properties of the crystal in comparison to the mother liquor surrounding it are thought to be the parameter that produces the contrast that makes the crystal visible. An application of this technology may be the determination of the exact location of small crystals in a cryo-loop. Data fkom initial tests in support of application development was recorded for lysozyme crystals and for bFGF/dna complex crystals, which were cryocooled and imaged in large loops, both with visible light mad with h i k e d rdi&tion. The crystals were clearly distinguished from the vitrified solution in the infiared spectrum, while in the case of the bFGF/dna complex the illumination had to be carefully manipulated to make the crystal visible in the visible spectrum. These results suggest that the thermal imaging may be more sensitive than visual imaging for automated location of small crystals. However, further work on small crystals robotically mounted at SSRL did not clearly visualize those crystals. The depth of field of the camera proved to be limiting and a different cooling geometry was used, compared to the previous, successful experiments. Analysis to exploit multiple images to improve depth of field and experimental work to understand cooling geometry effects is ongoing. These results will be presented along with advantages and disadvantages of the technique and a discussion of how it might be applied.

Extended parametric gain range in photonic crystal fibers with strongly frequency-dependent field distributions.

PubMed

Petersen, Sidsel R; Alkeskjold, Thomas T; Olausson, Christina B; Lægsgaard, Jesper

2014-08-15

The parametric gain range of a degenerate four-wave mixing process is determined in the undepleted pump regime. The gain range is considered with and without taking the mode field distributions of the four-wave mixing components into account. It is found that the mode field distributions have to be included to evaluate the parametric gain correctly in dispersion-tailored speciality fibers and that mode profile engineering can provide a way to increase the parametric gain range.

Comparative Theoretical Analysis Between Parallel and Perpendicular Geomotries for 2D Particle Patterning in Photovoltaic Ferroelectric Substrates

NASA Astrophysics Data System (ADS)

Arregui, C.; Ramiro, J. B.; Alcázar, A.; Méndez, A.; Muñoz-Martínez, J. F.; Carrascosa, M.

2015-05-01

This paper describes the dielectrophoretic potential created by the evanescent electric field acting on a particle near a photovoltaic crystalsurface depending on the crystal cut. This electric field is obtained from the steady state solution of the Kukhtarev equations for thephotovoltaic effect, where the diffusion term has been disregarded. First, the space charge field generated by a small, square, light spotwhere d << l (being d a side of the square and l the crystal thickness) is studied. The surface charge density generated in both geometriesis calculated and compared as their relation determines the different properties of the dielectrophoretic potential for both cuts. The shapeof the dielectrophoretic potential is obtained and compared for several distances to the sample. Afterwards other light patterns are studiedby the superposition of square spots, and the resulting trapping profiles are analysed. Finally the surface charge densities and trappingprofiles for different d/l relations are studied.

Unusual polarity-dependent patterns in a bent-core nematic liquid crystal under low-frequency ac field.

PubMed

Xiang, Ying; Zhou, Meng-jie; Xu, Ming-Ya; Salamon, Péter; Éber, Nándor; Buka, Ágnes

2015-04-01

Electric-field-induced patterns of diverse morphology have been observed over a wide frequency range in a recently synthesized bent-core nematic (BCN) liquid crystal. At low frequencies (up to ∼25 Hz), the BCN exhibited unusual polarity-dependent patterns. When the amplitude of the ac field was enhanced, these two time-asymmetrical patterns turned into time-symmetrical prewavylike stripes. At ac frequencies in the middle-frequency range (∼50-3000 Hz), zigzag patterns were detected whose obliqueness varied with the frequency. Finally, if the frequency was increased above 3 kHz, the zigzag pattern was replaced by another, prewavylike pattern, whose threshold voltage depended on the frequency; however, the wave vector did not. For a more complete characterization, material parameters such as elastic constants, dielectric permittivities, and the anisotropy of the diamagnetic susceptibility were also determined.

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.

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.

Interplay between spin-orbit coupling and crystal-field effect in topological insulators

NASA Astrophysics Data System (ADS)

Lee, Hyungjun; Yazyev, Oleg V.

2015-07-01

Band inversion, one of the key signatures of time-reversal invariant topological insulators (TIs), arises mostly due to the spin-orbit (SO) coupling. Here, based on ab initio density-functional calculations, we report a theoretical investigation of the SO-driven band inversion in isostructural bismuth and antimony chalcogenide TIs from the viewpoint of its interplay with the crystal-field effect. We calculate the SO-induced energy shift of states in the top valence and bottom conduction manifolds and reproduce this behavior using a simple one-atom model adjusted to incorporate the crystal-field effect. The crystal-field splitting is shown to compete with the SO coupling, that is, stronger crystal-field splitting leads to weaker SO band shift. We further show how both these effects can be controlled by changing the chemical composition, whereas the crystal-field splitting can be tuned by means of uniaxial strain. These results provide a practical guidance to the rational design of novel TIs as well as to controlling the properties of existing materials.

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

DOE PAGES

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

2015-05-18

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

The influence of a magnetic field on the microhardness of K, Rb, Cs, NH{sub 4}, and Tl acid phthalate crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koldaeva, M. V., E-mail: mkoldaeva@ns.crys.ras.ru; Turskaya, T. N.; Zakalyukin, R. M.

2009-11-15

The influence of a magnetic field on the microhardness of potassium acid phthalate has been studied for different magnetic inductions, exposure times, sample orientations in a magnetic field, and impurity compositions of the crystals. It was shown that the magnetic field effect is multiply repeated on the (010) face after relaxation. The influence of magnetic treatment on ammonium, rubidium, thallium, and cesium acid phthalate crystals is analyzed. The reasons for the observed changes in the crystal microhardness in the magnetic field are discussed.

Maximizing Macromolecule Crystal Size for Neutron Diffraction Experiments

NASA Technical Reports Server (NTRS)

Judge, R. A.; Kephart, R.; Leardi, R.; Myles, D. A.; Snell, E. H.; vanderWoerd, M.; Curreri, Peter A. (Technical Monitor)

2002-01-01

A challenge in neutron diffraction experiments is growing large (greater than 1 cu mm) macromolecule crystals. In taking up this challenge we have used statistical experiment design techniques to quickly identify crystallization conditions under which the largest crystals grow. These techniques provide the maximum information for minimal experimental effort, allowing optimal screening of crystallization variables in a simple experimental matrix, using the minimum amount of sample. Analysis of the results quickly tells the investigator what conditions are the most important for the crystallization. These can then be used to maximize the crystallization results in terms of reducing crystal numbers and providing large crystals of suitable habit. We have used these techniques to grow large crystals of Glucose isomerase. Glucose isomerase is an industrial enzyme used extensively in the food industry for the conversion of glucose to fructose. The aim of this study is the elucidation of the enzymatic mechanism at the molecular level. The accurate determination of hydrogen positions, which is critical for this, is a requirement that neutron diffraction is uniquely suited for. Preliminary neutron diffraction experiments with these crystals conducted at the Institute Laue-Langevin (Grenoble, France) reveal diffraction to beyond 2.5 angstrom. Macromolecular crystal growth is a process involving many parameters, and statistical experimental design is naturally suited to this field. These techniques are sample independent and provide an experimental strategy to maximize crystal volume and habit for neutron diffraction studies.

Strain, magnetic anisotropy, and anisotropic magnetoresistance in (Ga,Mn)As on high-index substrates: Application to (113)A -oriented layers

NASA Astrophysics Data System (ADS)

Dreher, L.; Donhauser, D.; Daeubler, J.; Glunk, M.; Rapp, C.; Schoch, W.; Sauer, R.; Limmer, W.

2010-06-01

Based on a detailed theoretical examination of the lattice distortion in high-index epilayers in terms of continuum mechanics, expressions are deduced that allow the calculation and experimental determination of the strain tensor for (hhl) -oriented (Ga,Mn)As layers. Analytical expressions are derived for the strain-dependent free-energy density and for the resistivity tensor for monoclinic and orthorhombic crystal symmetries, phenomenologically describing the magnetic anisotropy and anisotropic magnetoresistance by appropriate anisotropy and resistivity parameters, respectively. Applying the results to (113)A orientation with monoclinic crystal symmetry, the expressions are used to determine the strain tensor and the shear angle of a series of (113)A -oriented (Ga,Mn)As layers by high-resolution x-ray diffraction and to probe the magnetic anisotropy and anisotropic magnetoresistance at 4.2 K by means of angle-dependent magnetotransport. Whereas the transverse-resistivity parameters are nearly unaffected by the magnetic field, the parameters describing the longitudinal resistivity are strongly field dependent.

Three-dimensional coordinates of individual atoms in materials revealed by electron tomography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Rui; Chen, Chien-Chun; Wu, Li

Crystallography, the primary method for determining the 3D atomic positions in crystals, has been fundamental to the development of many fields of science. However, the atomic positions obtained from crystallography represent a global average of many unit cells in a crystal. In this paper, we report, for the first time, the determination of the 3D coordinates of thousands of individual atoms and a point defect in a material by electron tomography with a precision of ~19 pm, where the crystallinity of the material is not assumed. From the coordinates of these individual atoms, we measure the atomic displacement field andmore » the full strain tensor with a 3D resolution of ~1 nm 3 and a precision of ~10 -3, which are further verified by density functional theory calculations and molecular dynamics simulations. Finally, the ability to precisely localize the 3D coordinates of individual atoms in materials without assuming crystallinity is expected to find important applications in materials science, nanoscience, physics, chemistry and biology.« less

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

NASA Astrophysics Data System (ADS)

Das, Pinaki; Lory, P.-F.; Flint, R.; Kong, T.; Hiroto, T.; Bud'ko, S. L.; Canfield, P. C.; de Boissieu, M.; Kreyssig, A.; Goldman, A. I.

2017-02-01

We have performed inelastic neutron scattering measurements on powder samples of the quasicrystal approximant, TbCd6, grown using isotopically enriched 112Cd. Both quasielastic scattering and distinct inelastic excitations were observed below 3 meV. The intensity of the quasielastic scattering measured in the paramagnetic phase diverges as TN˜22 K is approached from above. The inelastic excitations, and their evolution with temperature, are well characterized by the leading term, B20O20 , of the crystal electric field (CEF) level scheme for local pentagonal symmetry for the rare-earth ions [S. Jazbec et al., Phys. Rev. B 93, 054208 (2016), 10.1103/PhysRevB.93.054208] indicating that the Tb moment is directed primarily along the unique local pseudofivefold axis of the Tsai-type clusters. We also find good agreement between the inverse susceptibility determined from magnetization measurements using a magnetically diluted Tb0.05Y0.95Cd6 sample and that calculated using the CEF level scheme determined from the neutron measurements.

Three-dimensional coordinates of individual atoms in materials revealed by electron tomography

DOE PAGES

Xu, Rui; Chen, Chien-Chun; Wu, Li; ...

2015-09-21

Crystallography, the primary method for determining the 3D atomic positions in crystals, has been fundamental to the development of many fields of science. However, the atomic positions obtained from crystallography represent a global average of many unit cells in a crystal. In this paper, we report, for the first time, the determination of the 3D coordinates of thousands of individual atoms and a point defect in a material by electron tomography with a precision of ~19 pm, where the crystallinity of the material is not assumed. From the coordinates of these individual atoms, we measure the atomic displacement field andmore » the full strain tensor with a 3D resolution of ~1 nm 3 and a precision of ~10 -3, which are further verified by density functional theory calculations and molecular dynamics simulations. Finally, the ability to precisely localize the 3D coordinates of individual atoms in materials without assuming crystallinity is expected to find important applications in materials science, nanoscience, physics, chemistry and biology.« less

Results of the long range position-determining system tests. [Field Army system

NASA Technical Reports Server (NTRS)

Rhode, F. W.

1973-01-01

The long range position-determining system (LRPDS) has been developed by the Corps of Engineers to provide the Field Army with a rapid and accurate positioning capability. The LRPDS consists of an airborne reference position set (RPS), up to 30 ground based positioning sets (PS), and a position computing central (PCC). The PCC calculates the position of each PS based on the range change information provided by each Set. The positions can be relayed back to the PS again via RPS. Each PS unit contains a double oven precise crystal oscillator. The RPS contains a Hewlett-Packard cesium beam standard. Frequency drifts and off-sets of the crystal oscillators are taken in account in the data reduction process. A field test program was initiated in November 1972. A total of 54 flights were made which included six flights for equipment testing and 48 flights utilizing the field test data reduction program. The four general types of PS layouts used were: short range; medium range; long range; tactical configuration. The overall RMS radial error of the unknown positions varied from about 2.3 meters for the short range to about 15 meters for the long range. The corresponding elevation RMS errors vary from about 12 meters to 37 meters.

Investigation of grain-scale microstructural variability in tantalum using crystal plasticity-finite element simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lim, Hojun; Dingreville, Rémi; Deibler, Lisa A.

In this research, a crystal plasticity-finite element (CP-FE) model is used to investigate the effects of microstructural variability at a notch tip in tantalum single crystals and polycrystals. It is shown that at the macroscopic scale, the mechanical response of single crystals is sensitive to the crystallographic orientation while the response of polycrystals shows relatively small susceptibility to it. However, at the microscopic scale, the local stress and strain fields in the vicinity of the crack tip are completely determined by the local crystallographic orientation at the crack tip for both single and polycrystalline specimens with similar mechanical field distributions.more » Variability in the local metrics used (maximum von Mises stress and equivalent plastic strain at 3% deformation) for 100 different realizations of polycrystals fluctuates by up to a factor of 2–7 depending on the local crystallographic texture. Comparison with experimental data shows that the CP model captures variability in stress–strain response of polycrystals that can be attributed to the grain-scale microstructural variability. In conclusion, this work provides a convenient approach to investigate fluctuations in the mechanical behavior of polycrystalline materials induced by grain morphology and crystallographic orientations.« less

Investigation of grain-scale microstructural variability in tantalum using crystal plasticity-finite element simulations

DOE PAGES

Lim, Hojun; Dingreville, Rémi; Deibler, Lisa A.; ...

2016-02-27

In this research, a crystal plasticity-finite element (CP-FE) model is used to investigate the effects of microstructural variability at a notch tip in tantalum single crystals and polycrystals. It is shown that at the macroscopic scale, the mechanical response of single crystals is sensitive to the crystallographic orientation while the response of polycrystals shows relatively small susceptibility to it. However, at the microscopic scale, the local stress and strain fields in the vicinity of the crack tip are completely determined by the local crystallographic orientation at the crack tip for both single and polycrystalline specimens with similar mechanical field distributions.more » Variability in the local metrics used (maximum von Mises stress and equivalent plastic strain at 3% deformation) for 100 different realizations of polycrystals fluctuates by up to a factor of 2–7 depending on the local crystallographic texture. Comparison with experimental data shows that the CP model captures variability in stress–strain response of polycrystals that can be attributed to the grain-scale microstructural variability. In conclusion, this work provides a convenient approach to investigate fluctuations in the mechanical behavior of polycrystalline materials induced by grain morphology and crystallographic orientations.« less

Electrorheological crystallization of proteins and other molecules

DOEpatents

Craig, G.D.; Rupp, B.

1996-06-11

An electrorheological crystalline mass of a molecule is formed by dispersing the molecule in a dispersion fluid and subjecting the molecule dispersion to a uniform electrical field for a period of time during which time an electrorheological crystalline mass is formed. Molecules that may be used to form an electrorheological crystalline mass include any organic or inorganic molecule which has a permanent dipole and/or which is capable of becoming an induced dipole in the presence of an electric field. The molecules used to form the electrorheological crystalline mass are preferably macromolecules, such as biomolecules, such as proteins, nucleic acids, carbohydrates, lipoproteins and viruses. Molecules are crystallized by a method in which an electric field is maintained for a period of time after the electrorheological crystalline mass has formed during which time at least some of the molecules making up the electrorheological crystalline mass form a crystal lattice. The three dimensional structure of a molecule is determined by a method in which an electrorheological crystalline mass of the molecule is formed, an X-ray diffraction pattern of the electrorheological crystalline mass is obtained and the three dimensional structure of the molecule is calculated from the X-ray diffraction pattern. 4 figs.

Electrorheological crystallization of proteins and other molecules

DOEpatents

Craig, George D.; Rupp, Bernhard

1996-01-01

An electrorheological crystalline mass of a molecule is formed by dispersing the molecule in a dispersion fluid and subjecting the molecule dispersion to a uniform electrical field for a period of time during which time an electrorheological crystalline mass is formed. Molecules that may be used to form an electrorheological crystalline mass include any organic or inorganic molecule which has a permanent dipole and/or which is capable of becoming an induced dipole in the presence of an electric field. The molecules used to form the electrorheological crystalline mass are preferably macromolecules, such as biomolecules, such as proteins, nucleic acids, carbohydrates, lipoproteins and viruses. Molecules are crystallized by a method in which an electric field is maintained for a period of time after the electrorheological crystalline mass has formed during which time at least some of the molecules making up the electrorheological crystalline mass form a crystal lattice. The three dimensional structure of a molecule is determined by a method in which an electrorheological crystalline mass of the molecule is formed, an x-ray diffraction pattern of the electrorheological crystalline mass is obtained and the three dimensional structure of the molecule is calculated from the x-ray diffraction pattern.

Magnetic Properties and Magnetic Phase Diagrams of Trigonal DyNi3Ga9

NASA Astrophysics Data System (ADS)

Ninomiya, Hiroki; Matsumoto, Yuji; Nakamura, Shota; Kono, Yohei; Kittaka, Shunichiro; Sakakibara, Toshiro; Inoue, Katsuya; Ohara, Shigeo

2017-12-01

We report the crystal structure, magnetic properties, and magnetic phase diagrams of single crystalline DyNi3Ga9 studied using X-ray diffraction, electrical resistivity, specific heat, and magnetization measurements. DyNi3Ga9 crystallizes in the chiral structure with space group R32. The dysprosium ions, which are responsible for the magnetism in this compound, form a two-dimensional honeycomb structure on a (0001) plane. We show that DyNi3Ga9 exhibits successive phase transitions at TN = 10 K and T'N = 9 K. The former suggests quadrupolar ordering, and the latter is attributed to the antiferromagnetic order. It is considered that DyNi3Ga9 forms the canted-antiferromagnetic structure below T'N owing to a small hysteresis loop of the low-field magnetization curve. We observe the strong easy-plane anisotropy, and the multiple-metamagnetic transitions with magnetization-plateaus under the field applied along the honeycomb plane. For Hallel [2\\bar{1}\\bar{1}0], the plateau-region arises every 1/6 for saturation magnetization. The magnetic phase diagrams of DyNi3Ga9 are determined for the fields along principal-crystal axes.

Hot Views on Cold Crystals: The Application of Thermal Imaging in Cryocrystallography

NASA Technical Reports Server (NTRS)

Snell, Eddie

2003-01-01

We have used thermal imaging techniques to visualize the cryocooling processes of macromolecular crystals. Cryocooling is a common technique used for structural data collection to reduce radiation damage in intense X-ray beams and decrease the thermal motion of the atoms. From the thermal images it was clear that during cryocooling a cold wave progresses through a crystal starting at the face closest to the origin of the cold stream and ending at the point furthest away. As an extension to this work, we used thermal imaging to study small crystals, held in a cryo-loop, in the presence of vitrified mother liquor. The different infrared transmission and reflectance properties of the crystal in comparison to the mother liquor surrounding it are thought to be the parameter that produces the contrast that makes the crystal visible. An application of this technology may be the determination of the exact location of small crystals in a cryo-loop for automated structural genomics studies. Data from initial tests in support of application development was recorded for lysozyme crystals and for bFGF/dna complex crystals, which were cryocooled and imaged in large loops, both with visible light and with infrared radiation. The crystals were clearly distinguished from the vitrified solution in the infrared spectrum, while in the case of the bFGF/dna complex the illumination had to be carefully manipulated to make the crystal visible in the visible spectrum. These results suggest that the thermal imaging may be more sensitive than visual imaging for automated location of small crystals. However, further work on small crystals robotically mounted at SSRL did not clearly visualize those crystals. The depth of field of the camera proved to be limiting and a different cooling geometry was used, compared to the previous, successful experiments. Analysis to exploit multiple images to improve depth of field and experimental work to understand cooling geometry effects is ongoing. These results will be presented along with advantages and disadvantages of the technique and a discussion of how it might be applied.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koizumi, H.; Uda, S.; Fujiwara, K.

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.

In-situ Optical Waveguides for Monitoring and Modifying Protein Crystal Growth

NASA Technical Reports Server (NTRS)

Gibson, Ursula; Osterberg, Ulf

2004-01-01

The use of electric fields in the growth of protein crystals was investigated, both theoretically and experimentally. We used dc, ac and optical fields to change the spatial distribution of proteins. Dc fields had only local effects, due to the conductivity of the growth solution. We found that for low frequency fields, movement of the buffer and salt ions dominated, and that for high frequency ac fields, &electrophoretic effects could be useful for relocating growing protein crystals. The most promising result was that for optical fields, a large gradient in the field could be used to capture a crystal, and observe growth in-situ. This concept could be developed into an experimental setup compatible with automated x-ray diffraction measurements in microgravity.

Electric-field-induced motion of colloid particles in smectic liquid crystals

NASA Astrophysics Data System (ADS)

Jakli, Antal

2005-03-01

We present the first observations of DC electric-field-induced rotational and translational motion of finite particles in liquid crystals. The electro-rotation is basically identical to the well known Quincke rotation, which triggers the translational motion at higher fields. From the electric field dependence of the angular velocity of the rotation we obtain the viscosity of the liquid crystals. The analysis of the translational motion in smectic liquid crystals indicates elastic responses near the threshold for translation. At increasing fields the speed of the particles is increasing and at sufficiently high speeds the flow of the smectic A and smectic C liquid crystal around the beads become purely viscous. Colloid particles in smectic materials maybe considered as model systems for understanding motion of proteins in cell membranes.

ESR and nonresonant microwave absorption of ErBa2Cu3O(7-delta) and HoBa2Cu3O(7-delta) single crystals

NASA Astrophysics Data System (ADS)

Tagaya, Kimihito; Fukuoka, Nobuo; Nakanishi, Shigemitsu

1990-12-01

ESR measurements were performed for ErBa2Cu3O(7-delta) and HoBa2Cu3O(7-delta) single crystals from 77 K to room temperature. The ESR signals of Er2BaCuO5 and Ho2BaCuO5 were observed, and their temperature variations were investigated. Nonresonant microwave absorption was also observed below the superconducting critical temperature of 93 K. The principal values of lower critical field were determined.

Machine learning for the structure-energy-property landscapes of molecular crystals.

PubMed

Musil, Félix; De, Sandip; Yang, Jack; Campbell, Joshua E; Day, Graeme M; Ceriotti, Michele

2018-02-07

Molecular crystals play an important role in several fields of science and technology. They frequently crystallize in different polymorphs with substantially different physical properties. To help guide the synthesis of candidate materials, atomic-scale modelling can be used to enumerate the stable polymorphs and to predict their properties, as well as to propose heuristic rules to rationalize the correlations between crystal structure and materials properties. Here we show how a recently-developed machine-learning (ML) framework can be used to achieve inexpensive and accurate predictions of the stability and properties of polymorphs, and a data-driven classification that is less biased and more flexible than typical heuristic rules. We discuss, as examples, the lattice energy and property landscapes of pentacene and two azapentacene isomers that are of interest as organic semiconductor materials. We show that we can estimate force field or DFT lattice energies with sub-kJ mol -1 accuracy, using only a few hundred reference configurations, and reduce by a factor of ten the computational effort needed to predict charge mobility in the crystal structures. The automatic structural classification of the polymorphs reveals a more detailed picture of molecular packing than that provided by conventional heuristics, and helps disentangle the role of hydrogen bonded and π-stacking interactions in determining molecular self-assembly. This observation demonstrates that ML is not just a black-box scheme to interpolate between reference calculations, but can also be used as a tool to gain intuitive insights into structure-property relations in molecular crystal engineering.

ThMn12-type phases for magnets with low rare-earth content: Crystal-field analysis of the full magnetization process.

PubMed

Tereshina, I S; Kostyuchenko, N V; Tereshina-Chitrova, E A; Skourski, Y; Doerr, M; Pelevin, I A; Zvezdin, A K; Paukov, M; Havela, L; Drulis, H

2018-02-26

Rare-earth (R)-iron alloys are a backbone of permanent magnets. Recent increase in price of rare earths has pushed the industry to seek ways to reduce the R-content in the hard magnetic materials. For this reason strong magnets with the ThMn 12  type of structure came into focus. Functional properties of R(Fe,T) 12 (T-element stabilizes the structure) compounds or their interstitially modified derivatives, R(Fe,T) 12 -X (X is an atom of hydrogen or nitrogen) are determined by the crystal-electric-field (CEF) and exchange interaction (EI) parameters. We have calculated the parameters using high-field magnetization data. We choose the ferrimagnetic Tm-containing compounds, which are most sensitive to magnetic field and demonstrate that TmFe 11 Ti-H reaches the ferromagnetic state in the magnetic field of 52 T. Knowledge of exact CEF and EI parameters and their variation in the compounds modified by the interstitial atoms is a cornerstone of the quest for hard magnetic materials with low rare-earth content.

Sulfide bonded atomic radii

NASA Astrophysics Data System (ADS)

Gibbs, G. V.; Ross, N. L.; Cox, D. F.

2017-09-01

The bonded radius, r b(S), of the S atom, calculated for first- and second-row non-transition metal sulfide crystals and third-row transition metal sulfide molecules and crystals indicates that the radius of the sulfur atom is not fixed as traditionally assumed, but that it decreases systematically along the bond paths of the bonded atoms with decreasing bond length as observed in an earlier study of the bonded radius of the oxygen atom. When bonded to non-transition metal atoms, r b(S) decreases systematically with decreasing bond length from 1.68 Å when the S atom is bonded to the electropositive VINa atom to 1.25 Å when bonded to the more electronegative IVP atom. In the case of transition metal atoms, rb(S) likewise decreases with decreasing bond length from 1.82 Å when bonded to Cu and to 1.12 Å when bonded to Fe. As r b(S) is not fixed at a given value but varies substantially depending on the bond length and the field strength of the bonded atoms, it is apparent that sets of crystal and atomic sulfide atomic radii based on an assumed fixed radius for the sulfur atom are satisfactory in that they reproduce bond lengths, on the one hand, whereas on the other, they are unsatisfactory in that they fail to define the actual sizes of the bonded atoms determined in terms of the minima in the electron density between the atoms. As such, we urge that the crystal chemistry and the properties of sulfides be studied in terms of the bond lengths determined by adding the radii of either the atomic and crystal radii of the atoms but not in terms of existing sets of crystal and atomic radii. After all, the bond lengths were used to determine the radii that were experimentally determined, whereas the individual radii were determined on the basis of an assumed radius for the sulfur atom.

Realization of all-optical switch and diode via Raman gain process using a Kerr field

NASA Astrophysics Data System (ADS)

Abbas, Muqaddar; Qamar, Sajid; Qamar, Shahid

2016-08-01

The idea of optical photonic crystal, which is generated using two counter-propagating fields, is revisited to study gain-assisted all-optical switch and diode using Kerr field. Two counter-propagating fields with relative detuning Δ ν generate standing-wave field pattern which interacts with a four-level atomic system. The standing-wave field pattern acts like a static photonic crystal for Δ ν =0 , however, it behaves as a moving photonic crystal for Δ ν \

Kinetic products in coordination networks: ab initio X-ray powder diffraction analysis.

PubMed

Martí-Rujas, Javier; Kawano, Masaki

2013-02-19

Porous coordination networks are materials that maintain their crystal structure as molecular "guests" enter and exit their pores. They are of great research interest with applications in areas such as catalysis, gas adsorption, proton conductivity, and drug release. As with zeolite preparation, the kinetic states in coordination network preparation play a crucial role in determining the final products. Controlling the kinetic state during self-assembly of coordination networks is a fundamental aspect of developing further functionalization of this class of materials. However, unlike for zeolites, there are few structural studies reporting the kinetic products made during self-assembly of coordination networks. Synthetic routes that produce the necessary selectivity are complex. The structural knowledge obtained from X-ray crystallography has been crucial for developing rational strategies for design of organic-inorganic hybrid networks. However, despite the explosive progress in the solid-state study of coordination networks during the last 15 years, researchers still do not understand many chemical reaction processes because of the difficulties in growing single crystals suitable for X-ray diffraction: Fast precipitation can lead to kinetic (metastable) products, but in microcrystalline form, unsuitable for single crystal X-ray analysis. X-ray powder diffraction (XRPD) routinely is used to check phase purity, crystallinity, and to monitor the stability of frameworks upon guest removal/inclusion under various conditions, but rarely is used for structure elucidation. Recent advances in structure determination of microcrystalline solids from ab initio XRPD have allowed three-dimensional structure determination when single crystals are not available. Thus, ab initio XRPD structure determination is becoming a powerful method for structure determination of microcrystalline solids, including porous coordination networks. Because of the great interest across scientific disciplines in coordination networks, especially porous coordination networks, the ability to determine crystal structures when the crystals are not suitable for single crystal X-ray analysis is of paramount importance. In this Account, we report the potential of kinetic control to synthesize new coordination networks and we describe ab initio XRPD structure determination to characterize these networks' crystal structures. We describe our recent work on selective instant synthesis to yield kinetically controlled porous coordination networks. We demonstrate that instant synthesis can selectively produce metastable networks that are not possible to synthesize by conventional solution chemistry. Using kinetic products, we provide mechanistic insights into thermally induced (573-723 K) (i.e., annealing method) structural transformations in porous coordination networks as well as examples of guest exchange/inclusion reactions. Finally, we describe a memory effect that allows the transfer of structural information from kinetic precursor structures to thermally stable structures through amorphous intermediate phases. We believe that ab initio XRPD structure determination will soon be used to investigate chemical processes that lead intrinsically to microcrystalline solids, which up to now have not been fully understood due to the unavailability of single crystals. For example, only recently have researchers used single-crystal X-ray diffraction to elucidate crystal-to-crystal chemical reactions taking place in the crystalline scaffold of coordination networks. The potential of ab initio X-ray powder diffraction analysis goes beyond single-crystal-to-single-crystal processes, potentially allowing members of this field to study intriguing in situ reactions, such as reactions within pores.

Characterization of photonic colloidal crystals in real and reciprocal space

NASA Astrophysics Data System (ADS)

Thijssen, J. H. J.

2007-05-01

In this thesis, we present experimental work on the characterization of photonic colloidal crystals in real and reciprocal space. Photonic crystals are structures in which the refractive index varies periodically in space on the length scale of the wavelength of light. Self-assembly of colloidal particles is a promising route towards three-dimensional (3-D) photonic crystals. However, fabrication of photonic band-gap materials remains challenging, so calculations that predict their optical properties are indispensable. Our photonic band-structure calculations on binary Laves phases have led to a proposed route towards photonic colloidal crystals with a band gap in the visible region. Furthermore, contrary to results in literature, we found that there is no photonic band gap for inverse BCT crystals. Finally, optical spectra of colloidal crystals were analyzed using band-structure calculations. Self-assembled photonic crystals are fabricated in multiple steps. Each of these steps can significantly affect the 3-D structure of the resulting crystal. X-rays are an excellent probe of the internal structure of photonic crystals, even if the refractive-index contrast is large. In Chapter 3, we demonstrate that an angular resolution of 0.002 mrad is achievable at a third-generation synchrotron using compound refractive optics. As a result, the position and the width of Bragg reflections in 2D diffraction patterns can be resolved, even for lattice spacings larger than a micrometer (corresponding to approximately 0.1 mrad). X-ray diffraction patterns and electron-microscopy images are used in Chapter 4 to determine the orientation of hexagonal layers in convective-assembly colloidal crystals. Quantitative analysis revealed that, in our samples, the layers were not exactly hexagonal and the stacking sequence was that of face-centered cubic (FCC) crystals, though stacking faults may have been present. In Chapter 5, binary colloidal crystals of organic spheres (polystyrene, PMMA) and/or inorganic spheres (silica) are introduced as promising templates for strongly photonic crystals. To prevent melting of the template, we used atomic layer deposition (ALD) to infiltrate polystyrene and PMMA templates with alumina, after which chemical vapor deposition (CVD) was used to further enhance the refractive-index contrast. Binary colloidal crystals of silica spheres can be infiltrated by CVD directly, but they often have a layer of colloidal fluid on top. Preliminary etching experiments demonstrated that it may be possible to etch silica templates with plasmas or with adhesive tape. As described in Chapter 6, sedimentation of colloidal silica spheres in an external, high-frequency electric field lead to mm-scale BCT crystals with up to 25 layers. In addition, electric fields were used as an external control to switch between BCT and close-packed (CP) crystal structures within seconds. We also developed two procedures to invert BCT crystals without loss of structure - colloidal particles were immobilized by diffusion-polymerization or photo-induced polymerization of the surrounding solvent. Some BCT crystals were even infiltrated with silicon using CVD. We demonstrate in Chapter 7 that X-ray diffraction can be used to determine the 3-D structure of such photonic colloidal crystals at the various stages of their fabrication. Excellent agreement was found with confocal and electron-microscopy images.

Abstract: Correlation of Mössbauer studies on Metglas 2605 alloys with magnetomechanical coupling

NASA Astrophysics Data System (ADS)

Bucci, C. A.; Methaseri, T.; Clark, A. E.; Savage, H. T.

1982-03-01

The present work correlates the direction and spread of the magnetization measured by 57Fe Mössbauer absorption with the magnetoelastic coupling factor k for amorphous field-annealed ribbons of the 2605 Metglas family: 2605Co and 2605SC with k = 0.71 and ≳0.9, respectively. The absorption line intensities measured for different orientations of the ribbons relative to the γ-rays allow us to determine the direction of M relative to the ribbon. In particular, the component of the magnetization in the direction of the annealing field ma is maximum for the same annealing temperatures (360 °C for 2605Co and 400 °C for 2605SC) that induce the maximum coupling coefficient. In both cases the in-plane magnetization is maximum along the direction of the annealing field, and ma is as high as 0.95 for 2605SC, while it is 0.75 for 2605Co, thus indicating that the overall spread of magnetization directions in the sample is quite small for the SC ribbon. This implies that the dependence of k on bias field can be understood in terms of a simple moment-rotation model. In studying the effect of higher annealing temperatures, the Mössbauer spectra also show that, for SC ribbons, surface crystallization is produced near 420 °C followed by bulk crystallization near 440 °C, whereas for CO ribbons, bulk crystallization is first observed at 370 °C. In both cases the correlation between the decrease in k and the onset of either surface on bulk crystallization is clear. In addition to the previous results on k, a direct determination of (1-k2) is independently performed by using frequency-dependent ac susceptibility measurements in the range between 1 kHz (constant stress regime) and 1 MHz (near constant strain regime). Although the high-frequency side of the data requires accurate corrections for Eddy-current losses, the kCo and kSC values so far determined are 0.7 and 0.92, respectively. a)Metglas is a registered trademark of the Allied Chemical Corporation. b)Associated with American University. c)Associated with Naval Surface Weapons Center. 1C. Modzelewski, H. Savage, L. Kabacoff, and A. Clark, IEEE Trans. Magn., MAG-17, 2837 (1981).

Application of the windowed-Fourier-transform-based fringe analysis technique for investigating temperature and concentration fields in fluids.

PubMed

Mohanan, Sharika; Srivastava, Atul

2014-04-10

The present work is concerned with the development and application of a novel fringe analysis technique based on the principles of the windowed-Fourier-transform (WFT) for the determination of temperature and concentration fields from interferometric images for a range of heat and mass transfer applications. Based on the extent of the noise level associated with the experimental data, the technique has been coupled with two different phase unwrapping methods: the Itoh algorithm and the quality guided phase unwrapping technique for phase extraction. In order to generate the experimental data, a range of experiments have been carried out which include cooling of a vertical flat plate in free convection conditions, combustion of mono-propellant flames, and growth of organic as well as inorganic crystals from their aqueous solutions. The flat plate and combustion experiments are modeled as heat transfer applications wherein the interest is to determine the whole-field temperature distribution. Aqueous-solution-based crystal growth experiments are performed to simulate the mass transfer phenomena and the interest is to determine the two-dimensional solute concentration field around the growing crystal. A Mach-Zehnder interferometer has been employed to record the path-integrated quantity of interest (temperature and/or concentration) in the form of interferometric images in the experiments. The potential of the WFT method has also been demonstrated on numerically simulated phase data for varying noise levels, and the accuracy in phase extraction have been quantified in terms of the root mean square errors. Three levels of noise, i.e., 0%, 10%, and 20% have been considered. Results of the present study show that the WFT technique allows an accurate extraction of phase values that can subsequently be converted into two-dimensional temperature and/or concentration distribution fields. Moreover, since WFT is a local processing technique, speckle patterns and the inherent noise in the interferometric data do not affect the resultant phase values. Brief comparisons of the accuracy of the WFT with other standard techniques such as conventional Fourier-filtering methods are also presented.

CRYSTAL: The Cirrus Regional Study of Tropical Anvils and Layers

NASA Technical Reports Server (NTRS)

Delnore, Victor E.; Cox, Stephen K.; Curran, Robert J.

1999-01-01

CRYSTAL the Cirrus Regional Study of Tropical Anvils and Layers is part of the ongoing series of field experiments to study clouds and their impact on world weather and climate, and will attempt to improve the application of cloud effects in global climate models. CRYSTAL is being planned as two parts: a limited CRYSTAL field campaign in 2001 to examine towering clouds and anvil genesis over the Everglades of Florida, and the main CRYSTAL field campaign in the summer of 2003 in the Tropical Western Pacific. The latter is timed to take advantage of several cloud measurement satellites that will be operational at that time. This paper discusses some of the issues to be addressed in CRYSTAL, gives a brief description of the research plan, and describes its relationship to other important field experiments.

Production method of carbamazepine/saccharin cocrystal particles by using two solution mixing based on the ternary phase diagram

NASA Astrophysics Data System (ADS)

Kudo, Shoji; Takiyama, Hiroshi

2014-04-01

In the pharmaceutical field, improvement of drug solubility is required, and an interest in cocrystals is growing. Crystallization methods for industrial production of cocrystals have not been developed enough whereas many cocrystals have been prepared in order to find a new crystal form by screening in the laboratory. The objective of this study was the development of the crystallization method which is useful for the industrial production of cocrystal particles based on the phase diagram. A cocrystal of carbamazepine and saccharin was selected as a model substance. The ternary phase diagram of carbamazepine and saccharin in methanol at 303 K was measured. A cocrystallization method of mixing two kinds of different eutectic solutions was designed based on the ternary phase diagram. In order to adjust the cocrystallization conditions, the determination method of the driving force for cocrystal deposition such as supersaturation based on mass balance was proposed. The cocrystal particles were obtained under all the conditions of the five mixing ratios. From these experimental results, the relationship between the supersaturation and the induction time for nucleation was confirmed as well as conventional crystallization. In conclusion, the crystallization method for industrial production of cocrystal particles including the determination of the supersaturation was suggested.

Elastic anisotropy effects on the electrical responses of a thin sample of nematic liquid crystal.

PubMed

Gomes, O A; Yednak, C A R; Ribeiro de Almeida, R R; Teixeira-Souza, R T; Evangelista, L R

2017-03-01

The electrical responses of a nematic liquid crystal cell are investigated by means of the elastic continuum theory. The nematic medium is considered as a parallel circuit of a resistance and a capacitance and the electric current profile across the sample is determined as a function of the elastic constants. In the reorientation process of the nematic director, the resistance and capacitance of the sample are determined by taking into account the elastic anisotropy. A nonmonotonic profile for the current is observed in which a minimum value of the current may be used to estimate the elastic constants values. This scenario suggests a theoretical method to determine the values of the bulk elastic constants in a single planar aligned cell just by changing the direction of applied electrical field and measuring the resulting electrical current.

Crystal field effect in light actinide dioxides and oxychalcogenides-a unified phenomenological description

NASA Astrophysics Data System (ADS)

Gajek, Z.

2004-05-01

The electronic properties of the actinide ions in the series of semi-conducting, antiferromagnetic compounds: dioxides, AnO2 and oxychalcogenides, AnOY, where An=U, Np and Y=S, Se, are re-examined from the point of view of the consistency of the crystal field (CF) model. The discussion is based on the supposition that the effective metal-ligand interaction solely determines the net CF effect in non-metallic compounds. The main question we address here is, whether a reliable, consistent description of the CF effect in terms of the intrinsic parameters can be achieved for this particular family of compounds. Encouraging calculations reported previously for the AnO2 and UOY series serve as a reference data in the present estimation of electronic structure parameters for neptunium oxychalcogenides.

Determination of the spin orbit coupling and crystal field splitting in wurtzite InP by polarization resolved photoluminescence

NASA Astrophysics Data System (ADS)

Chauvin, Nicolas; Mavel, Amaury; Jaffal, Ali; Patriarche, Gilles; Gendry, Michel

2018-02-01

Excitation photoluminescence spectroscopy is usually used to extract the crystal field splitting (ΔCR) and spin orbit coupling (ΔSO) parameters of wurtzite (Wz) InP nanowires (NWs). However, the equations expressing the valence band splitting are symmetric with respect to these two parameters, and a choice ΔCR > ΔSO or ΔCR < ΔSO has to be taken into account in order to assign the numerical values. To solve this issue, polarization resolved micro-photoluminescence was performed on vertically aligned and untapered Wz InP NWs grown on silicon. The experimental results combined with a theoretical model and finite difference time domain calculations allow us to conclude that ΔCR > ΔSO in Wz InP.

Ultrafast Electric Field Pulse Control of Giant Temperature Change in Ferroelectrics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qi, Y.; Liu, S.; Lindenberg, A. M.

There is a surge of interest in developing environmentally friendly solid-state-based cooling technology. Here, we point out that a fast cooling rate (≈ 10 11 K/s) can be achieved by driving solid crystals to a high-temperature phase with a properly designed electric field pulse. Specifically, we predict that an ultrafast electric field pulse can cause a giant temperature decrease up to 32 K in PbTiO 3 occurring on few picosecond time scales. Here, we explain the underlying physics of this giant electric field pulse-induced temperature change with the concept of internal energy redistribution: the electric field does work on amore » ferroelectric crystal and redistributes its internal energy, and the way the kinetic energy is redistributed determines the temperature change and strongly depends on the electric field temporal profile. This concept is supported by our all-atom molecular dynamics simulations of PbTiO 3 and BaTiO 3. Moreover, this internal energy redistribution concept can also be applied to understand electrocaloric effect. We further propose new strategies for inducing giant cooling effect with ultrafast electric field pulse. This Letter offers a general framework to understand electric-field-induced temperature change and highlights the opportunities of electric field engineering for controlled design of fast and efficient cooling technology.« less

Ultrafast Electric Field Pulse Control of Giant Temperature Change in Ferroelectrics

DOE PAGES

Qi, Y.; Liu, S.; Lindenberg, A. M.; ...

2018-01-30

There is a surge of interest in developing environmentally friendly solid-state-based cooling technology. Here, we point out that a fast cooling rate (≈ 10 11 K/s) can be achieved by driving solid crystals to a high-temperature phase with a properly designed electric field pulse. Specifically, we predict that an ultrafast electric field pulse can cause a giant temperature decrease up to 32 K in PbTiO 3 occurring on few picosecond time scales. Here, we explain the underlying physics of this giant electric field pulse-induced temperature change with the concept of internal energy redistribution: the electric field does work on amore » ferroelectric crystal and redistributes its internal energy, and the way the kinetic energy is redistributed determines the temperature change and strongly depends on the electric field temporal profile. This concept is supported by our all-atom molecular dynamics simulations of PbTiO 3 and BaTiO 3. Moreover, this internal energy redistribution concept can also be applied to understand electrocaloric effect. We further propose new strategies for inducing giant cooling effect with ultrafast electric field pulse. This Letter offers a general framework to understand electric-field-induced temperature change and highlights the opportunities of electric field engineering for controlled design of fast and efficient cooling technology.« less

Ultrafast Electric Field Pulse Control of Giant Temperature Change in Ferroelectrics

NASA Astrophysics Data System (ADS)

Qi, Y.; Liu, S.; Lindenberg, A. M.; Rappe, A. M.

2018-01-01

There is a surge of interest in developing environmentally friendly solid-state-based cooling technology. Here, we point out that a fast cooling rate (≈1011 K /s ) can be achieved by driving solid crystals to a high-temperature phase with a properly designed electric field pulse. Specifically, we predict that an ultrafast electric field pulse can cause a giant temperature decrease up to 32 K in PbTiO3 occurring on few picosecond time scales. We explain the underlying physics of this giant electric field pulse-induced temperature change with the concept of internal energy redistribution: the electric field does work on a ferroelectric crystal and redistributes its internal energy, and the way the kinetic energy is redistributed determines the temperature change and strongly depends on the electric field temporal profile. This concept is supported by our all-atom molecular dynamics simulations of PbTiO3 and BaTiO3 . Moreover, this internal energy redistribution concept can also be applied to understand electrocaloric effect. We further propose new strategies for inducing giant cooling effect with ultrafast electric field pulse. This Letter offers a general framework to understand electric-field-induced temperature change and highlights the opportunities of electric field engineering for controlled design of fast and efficient cooling technology.

Screened dipolar interactions in some molecular crystals

NASA Astrophysics Data System (ADS)

Munn, R. W.; Hurst, M.

1990-10-01

Screened dipole energies and dipole electric fields are calculated for the crystals of HCN, meta- and para-nitroaniline, the nonlinear optical compounds POM, MAP and DAN, meta-dinitrobenzene, and acetanilide. Only para-nitroaniline is centrosymmetric, but all the crystals have significant negative dipole energies (of the order of -20 kJ mol -1) except for POM and metadinitrobenzene, where they are positive but small in magnitude. Local dipole fields are of the order of 10 GV m -1. The results assume that surface charge annuls any macroscopic dipole field. It is speculated that the observed preponderance of centrosymmetric crystals of polar molecules may reflect a favourable dipole energy in the initial crystal nucleus rather than the macroscopic crystal.

Asymptotic Analysis of Melt Growth for Antimonide-Based Compound Semiconductor Crystals in Magnetic and Electric Fields

DTIC Science & Technology

2006-10-01

F. Bliss, Gerald W. Iseler and Piotr Becla, "Combining static and rotating magnetic fields during modified vertical Bridgman crystal growth ," AIAA...Wang and Nancy Ma, "Semiconductor crystal growth by the vertical Bridgman process with rotating magnetic fields," ASME Journal of Heat Transfer...2005. 15. Stephen J. LaPointe, Nancy Ma and Donald W. Mueller, Jr., " Growth of binary alloyed semiconductor crystals by the vertical Bridgman

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

NASA Astrophysics Data System (ADS)

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

2014-11-01

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.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Petkova, P.; Andreici, E.-L.; Avram, N. M., E-mail: n1m2marva@yahoo.com

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 themore » 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.« less

Electronic properties of high-temperature superconductors and novel carbon-based conductors and superconductors

NASA Astrophysics Data System (ADS)

Fuhrer, Michael Sears

This thesis is divided into three sections. The first section discusses the electrical transport properties of a highly anisotropic high temperature superconductor, Bi2Sr2CaCu2O8, in magnetic fields. High temperature superconductivity has greatly expanded the study of vortex matter: the state of the quantized magnetic field excitations, or vortices, in a superconductor. The effects of tilted fields and fields parallel to the planes are studied: striking deviations from the expectations of a simple anisotropic superconductivity model are found, indicating that the layered structure of high temperature superconductors plays a significant role in determining the dynamics and phases of vortex matter. For the case of parallel magnetic fields, the Josephson vortex state, a new phase transition is identified, the melting of the Josephson vortex lattice. A mechanism for Josephson vortex lattice melting is proposed to explain the differences in the phase diagrams from the usual case of Abrikosov vortex lattice melting. The second section discusses experiments on C60-containing solids. A method for growing high quality single crystals of C60 is described. Isotopically pure single crystal samples of the fulleride superconductor Rb3C60 were synthesized in order to measure the carbon isotope effect on superconductivity. By measuring the superconducting transitions in the resistance of single crystals of Rb3C60, the carbon isotope effect was determined with unprecedented accuracy. Measurement of the isotope effect gives essential information for determination of the superconducting parameters, necessary for a complete theoretical picture of superconductivity in this material. New intercalated graphite compounds containing C60, and their electronic properties, are also discussed. The third section discusses the electrical transport and magnetotransport properties of mats of single-walled carbon nanotubes. Single-walled nanotubes are an intriguing new physical system: nanowires of pure carbon with nanometerscale diameters and lengths of microns. The previously unexplained low-temperature properties are shown to be due to localization. The radius of the localized states is determined, and the hopping conduction is found to be three-dimensional in nature. The magnetotransport also agrees with models of variable range hopping in two or greater dimensions, indicating that mats of single-walled nanotubes are well-connected metallic networks.

Cloud-point detection using a portable thickness shear mode crystal resonator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mansure, A.J.; Spates, J.J.; Germer, J.W.

1997-08-01

The Thickness Shear Mode (TSM) crystal resonator monitors the crude oil by propagating a shear wave into the oil. The coupling of the shear wave and the crystal vibrations is a function of the viscosity of the oil. By driving the crystal with circuitry that incorporates feedback, it is possible to determine the change from Newtonian to non-Newtonian viscosity at the cloud point. A portable prototype TSM Cloud Point Detector (CPD) has performed flawlessly during field and lab tests proving the technique is less subjective or operator dependent than the ASTM standard. The TSM CPD, in contrast to standard viscositymore » techniques, makes the measurement in a closed container capable of maintaining up to 100 psi. The closed container minimizes losses of low molecular weight volatiles, allowing samples (25 ml) to be retested with the addition of chemicals. By cycling/thermal soaking the sample, the effects of thermal history can be investigated and eliminated as a source of confusion. The CPD is portable, suitable for shipping the field offices for use by personnel without special training or experience in cloud point measurements. As such, it can make cloud point data available without the delays and inconvenience of sending samples to special labs. The crystal resonator technology can be adapted to in-line monitoring of cloud point and deposition detection.« less

Optical, Fluorescence with quantum analysis of hydrazine (1, 3- Dinitro Phenyl) by DFT and Ab initio approach

NASA Astrophysics Data System (ADS)

Cecily Mary Glory, D.; Sambathkumar, K.; Madivanane, R.; Velmurugan, G.; Gayathri, R.; Nithiyanantham, S.; Venkatachalapathy, M.; Rajkamal, N.

2018-07-01

Experimental and computational study of molecular structure, vibrational and UV-spectral analysis of Hydrazine (1, 3- Dinitrophenyl) (HDP) derivatives. The crystal was grown by slow cooling method and the crystalline perfection of single crystals was evaluated by high resolution X-ray diffractometry (HRXRD) using a multicrystal X-ray diffractometer. Fluorescence, FT-IR and FT-Raman spectra of HDP crystal were recorded. The assignments of the vibrational spectra have been carried out with the help of normal co-ordinate analysis (NCA) followed by scaled quantum force field methodology (SQMFF). NMR studies have confirmed respectively the crystal structure and functional groups of the grown crystal. The energy and oscillator strength calculated by Time-Dependent Density Functional Theory (TD-DFT) result complements the experimental findings. The calculated MESP, UV, HOMO-LUMO energies show that charge transfer done within the molecule. And various thermodynamic parameters are studied. Fukui determines the local reactive site of electrophilic, nucleophilic, descriptor.

Site selectivity on chalcogen atoms in superconducting La(O,F)BiSSe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tanaka, Masashi, E-mail: Tanaka.Masashi@nims.go.jp; Matsushita, Yoshitaka; Fujioka, Masaya

2015-03-16

Single crystals of La(O,F)BiSSe were grown by using a CsCl flux method. Single crystal X-ray structural analysis reveals that the crystal structure is isostructural to the BiS{sub 2}- or BiSe{sub 2}-based compounds crystallizing with space group P4/nmm (lattice parameters a = 4.1110(2) Å, c = 13.6010(7) Å). However, the S atoms are selectively occupied at the apical site of the Bi-SSe pyramids in the superconducting layer. The single crystals show a superconducting transition at around 4.2 K in the magnetic susceptibility and resistivity measurements. The superconducting anisotropic parameter is determined to be 34–35 from its upper critical magnetic field. The anisotropy is in the same range withmore » that of other members of the La(O,F)BiCh{sub 2} (Ch = S, Se) family under ambient pressure.« less

Acoustically trapped colloidal crystals that are reconfigurable in real time

PubMed Central

Caleap, Mihai; Drinkwater, Bruce W.

2014-01-01

Photonic and phononic crystals are metamaterials with repeating unit cells that result in internal resonances leading to a range of wave guiding and filtering properties and are opening up new applications such as hyperlenses and superabsorbers. Here we show the first, to our knowledge, 3D colloidal phononic crystal that is reconfigurable in real time and demonstrate its ability to rapidly alter its frequency filtering characteristics. Our reconfigurable material is assembled from microspheres in aqueous solution, trapped with acoustic radiation forces. The acoustic radiation force is governed by an energy landscape, determined by an applied high-amplitude acoustic standing wave field, in which particles move swiftly to energy minima. This creates a colloidal crystal of several milliliters in volume with spheres arranged in an orthorhombic lattice in which the acoustic wavelength is used to control the lattice spacing. Transmission acoustic spectroscopy shows that the new colloidal crystal behaves as a phononic metamaterial and exhibits clear band-pass and band-stop frequencies which are adjusted in real time. PMID:24706925

Electronegativity, charge transfer, crystal field strength, and the point charge model revisited.

PubMed

Tanner, Peter A; Ning, Lixin

2013-02-21

Although the optical spectra of LnCl(6)(3-) systems are complex, only two crystal field parameters, B(40) and B(60), are required to model the J-multiplet crystal field splittings in octahedral symmetry. It is found that these parameters exhibit R(-5) and R(-7) dependence, respectively, upon the ionic radius Ln(3+)(VI), but not upon the Ln-Cl distance. More generally, the crystal field strengths of LnX(6) systems (X = Br, Cl, F, O) exhibit linear relationships with ligand electronegativity, charge transfer energy, and fractional ionic character of the Ln-X bond.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ankudinov, V. E., E-mail: vladimir@ankudinov.org; Galenko, P. K.; Kropotin, N. V.

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 cylindricalmore » 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.« less

The crystallization behavior of amorphous Ge2Sb2Te5 films induced by a multi-pulsed nanosecond laser

NASA Astrophysics Data System (ADS)

Fan, T.; Liu, F. R.; Li, W. Q.; Guo, J. C.; Wang, Y. H.; Sun, N. X.; Liu, F.

2017-09-01

In this paper, accumulated crystallization of amorphous Ge2Sb2Te5 (a-GST) films induced by a multi-pulsed nanosecond (ns) excimer laser was investigated by x-ray diffraction (XRD), atomic force microscopy, field-emission scanning electron microscopy, x-ray photoelectron spectroscopy (XPS) and a spectrophotometer. XRD analyses revealed that detectable crystallization was firstly observed in the preferred orientation (200), followed by the orientations (220) and (111) after two pulses. Optical contrast, determined by crystallinity as well as surface roughness, was found to retain a linear relation within the first three pulses. A layered growth mechanism from the top surface to the interior of a-GST films was used to explain the crystallization behavior induced by the multi-pulse ns laser. XPS analyses for bond rearrangement and electronic structure further suggested that the crystallization process was performed by generating new bonds of Ge-Te and Sb-Te after laser irradiations. This paper presents the potential of multi-level devices and tunable thermal emitters based on controllable crystallization of phase-change materials.

An electron paramagnetic resonance study on irradiated triphenylphosphinselenid single crystal

NASA Astrophysics Data System (ADS)

Aras, Erdal; Karatas, Ozgul; Meric, Yasemin; Abbass, Hind Kh; Birey, Mehmet; Kilic, Ahmet

2014-09-01

The single crystals of triphenylphosphinselenid [C18H15PSe] were produced by slow evaporation of concentrated ethyl acetate solutions. These single crystals were exposed to 60Co gamma (γ) rays with a dose speed of 0.980 kGy/h at the room temperature for 72 h. The free radical over the sample was observed using electron paramagnetic resonance (EPR)-X band spectrometer. The EPR spectra were recorded between 120 and 400 K. Furthermore, the sample irradiated was rotated in steps of 10° and analyzed for different orientations of the crystal in the magnetic field. Only one radical structure was determined on the molecule. The hyperfine constants of the sample were found to be anisotropic. The average values of these constants and value of g were calculated as following: g=2.007656, aSe=37.47 G, aP=27.44 G, aHa=17.28 G, and aHb=18.16 G.

Diagnosing the Ice Crystal Enhancement Factor in the Tropics

NASA Technical Reports Server (NTRS)

Zeng, Xiping; Tao, Wei-Kuo; Matsui, Toshihisa; Xie, Shaocheng; Lang, Stephen; Zhang, Minghua; Starr, David O'C; Li, Xiaowen; Simpson, Joanne

2009-01-01

Recent modeling studies have revealed that ice crystal number concentration is one of the dominant factors in the effect of clouds on radiation. Since the ice crystal enhancement factor and ice nuclei concentration determine the concentration, they are both important in quantifying the contribution of increased ice nuclei to global warming. In this study, long-term cloud-resolving model (CRM) simulations are compared with field observations to estimate the ice crystal enhancement factor in tropical and midlatitudinal clouds, respectively. It is found that the factor in tropical clouds is 10 3-104 times larger than that of mid-latitudinal ones, which makes physical sense because entrainment and detrainment in the Tropics are much stronger than in middle latitudes. The effect of entrainment/detrainment on the enhancement factor, especially in tropical clouds, suggests that cloud microphysical parameterizations should be coupled with subgrid turbulence parameterizations within CRMs to obtain a more accurate depiction of cloud-radiative forcing.

Control of the conformations of ion Coulomb crystals in a Penning trap

PubMed Central

Mavadia, Sandeep; Goodwin, Joseph F.; Stutter, Graham; Bharadia, Shailen; Crick, Daniel R.; Segal, Daniel M.; Thompson, Richard C.

2013-01-01

Laser-cooled atomic ions form ordered structures in radiofrequency ion traps and in Penning traps. Here we demonstrate in a Penning trap the creation and manipulation of a wide variety of ion Coulomb crystals formed from small numbers of ions. The configuration can be changed from a linear string, through intermediate geometries, to a planar structure. The transition from a linear string to a zigzag geometry is observed for the first time in a Penning trap. The conformations of the crystals are set by the applied trap potential and the laser parameters, and agree with simulations. These simulations indicate that the rotation frequency of a small crystal is mainly determined by the laser parameters, independent of the number of ions and the axial confinement strength. This system has potential applications for quantum simulation, quantum information processing and tests of fundamental physics models from quantum field theory to cosmology. PMID:24096901

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

NASA Astrophysics Data System (ADS)

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

1996-02-01

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

Stability of Magnetically-Suppressed Solutal Convection In Protein Crystal Growth

NASA Technical Reports Server (NTRS)

Leslie, F. W.; Ramachandran, N.

2005-01-01

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, a theory is presented on the stability of solutal convection of a magnetized fluid in the presence of a magnetic field. The requirements for stability are developed and compared to experiments performed within the bore of a superconducting magnet. The theoretical predictions are in good agreement with the experiments and show solutal convection can be stabilized if the surrounding fluid has larger magnetic susceptibility and the magnetic field has a specific structure. Discussion on the application of the technique to protein crystallization is also provided.

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

PubMed

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

2014-11-01

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

GROWTH AND CHARACTERIZATION OF SINGLE CRYSTALS OF RARE EARTH COMPOUNDS.

DTIC Science & Technology

SINGLE CRYSTALS, CRYSTAL GROWTH), (*CRYSTAL GROWTH, SINGLE CRYSTALS), (*RARE EARTH COMPOUNDS, SINGLE CRYSTALS), EPITAXIAL GROWTH, SODIUM COMPOUNDS, CHLORIDES, VAPOR PLATING, ELECTROSTATIC FIELDS, ENERGY, ATOMIC PROPERTIES , BONDING

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

NASA Astrophysics Data System (ADS)

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

2010-05-01

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

Vacuum lamination approach to fabrication of high-performance single-crystal organic field-effect transistors.

PubMed

Yi, H T; Chen, Y; Czelen, K; Podzorov, V

2011-12-22

A novel vacuum lamination approach to fabrication of high-performance single-crystal organic field-effect transistors has been developed. The non-destructive nature of this method allows a direct comparison of field-effect mobilities achieved with various gate dielectrics using the same single-crystal sample. The method also allows gating delicate systems, such as n -type crystals and SAM-coated surfaces, without perturbation. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A parametric study of segregation effects during vertical Bridgman crystal growth with an axial magnetic field

NASA Astrophysics Data System (ADS)

Ma, N.; Walker, J. S.

2000-01-01

This paper presents a model for the unsteady transport of a dopant during the vertical Bridgman crystal growth process with a planar crystal-melt interface and with an axial magnetic field, and investigates the effects of varying different process variables on the crystal composition. The convective mass transport due to the buoyant convection in the melt produces nonuniformities in the concentration in both the melt and the crystal. The convective mass transport plays an important role for all magnetic field strengths considered. Diffusive mass transport begins to dominate for a magnetic flux density of 4 T and a fast growth rate, producing crystals which have an axial variation of the radially averaged crystal composition approaching that of the diffusion-controlled limit. Dopant distributions for several different combinations of process parameters are presented.

Active crystals on a sphere

NASA Astrophysics Data System (ADS)

Praetorius, Simon; Voigt, Axel; Wittkowski, Raphael; Löwen, Hartmut

2018-05-01

Two-dimensional crystals on curved manifolds exhibit nontrivial defect structures. Here we consider "active crystals" on a sphere, which are composed of self-propelled colloidal particles. Our work is based on a phase-field-crystal-type model that involves a density and a polarization field on the sphere. Depending on the strength of the self-propulsion, three different types of crystals are found: a static crystal, a self-spinning "vortex-vortex" crystal containing two vortical poles of the local velocity, and a self-translating "source-sink" crystal with a source pole where crystallization occurs and a sink pole where the active crystal melts. These different crystalline states as well as their defects are studied theoretically here and can in principle be confirmed in experiments.

Two-stage magnetic orientation of uric acid crystals as gout initiators

NASA Astrophysics Data System (ADS)

Takeuchi, Y.; Miyashita, Y.; Mizukawa, Y.; Iwasaka, M.

2014-01-01

The present study focuses on the magnetic behavior of uric acid crystals, which are responsible for gout. Under a sub-Tesla (T)-level magnetic field, rotational motion of the crystals, which were caused by diamagnetic torque, was observed. We used horizontal magnetic fields with a maximum magnitude of 500 mT generated by an electromagnet to observe the magnetic orientation of the uric acid microcrystals by a microscope. The uric acid crystals showed a perpendicular magnetic field orientation with a minimum threshold of 130 mT. We speculate that the distinct diamagnetic anisotropy in the uric acid crystals resulted in their rotational responses.

Picosecond electric-field-induced threshold switching in phase-change materials [THz-induced threshold switching and crystallization of phase-change materials

DOE PAGES

Zalden, Peter; Shu, Michael J.; Chen, Frank; ...

2016-08-05

Many chalcogenide glasses undergo a breakdown in electronic resistance above a critical field strength. Known as threshold switching, this mechanism enables field-induced crystallization in emerging phase-change memory. Purely electronic as well as crystal nucleation assisted models have been employed to explain the electronic breakdown. Here, picosecond electric pulses are used to excite amorphous Ag 4In 3Sb 67Te 26. Field-dependent reversible changes in conductivity and pulse-driven crystallization are observed. The present results show that threshold switching can take place within the electric pulse on subpicosecond time scales—faster than crystals can nucleate. As a result, this supports purely electronic models of thresholdmore » switching and reveals potential applications as an ultrafast electronic switch.« less

Plagioclase mineralogy of olivine alkaline basalt

NASA Technical Reports Server (NTRS)

Hoffer, J. M.

1973-01-01

A geological and mineralogical study of the Potrillo volcanics is reported. The investigation consisted first of field mapping to establish and identify the different rock types and volcanic features in order to determine the geological history. Next, samples were collected and analyzed petrographically to determine suitable rocks from the various stratigraphic units for study of plagioclase. Samples selected for further study were crushed and the plagioclase extracted for the determination of composition and structural state. These results were then related to the petrology and crystallization of the basalt.

Induced Anisotropy in FeCo-Based Nanocrystalline Ferromagnetic Alloys (HITPERM) by Very High Field Annealing

NASA Technical Reports Server (NTRS)

Johnson, F.; Garmestani, H.; Chu, S.-Y.; McHenry, M. E.; Laughlin, D. E.

2004-01-01

Very high magnetic field annealing is shown to affect the magnetic anisotropy in FeCo-base nanocrystalline soft ferromagnetic alloys. Alloys of composition Fe(44.5)Co(44.5)Zr(7)B(4) were prepared by melt spinning into amorphous ribbons, then wound to form toroidal bobbin cores. One set of cores was crystallized in a zero field at 600 deg. C for 1 h, then, field annealed at 17 tesla (T) at 480 deg. C for 1 h. Another set was crystallized in a 17-T field at 480 deg. C for 1 h. Field orientation was transverse to the magnetic path of the toroidal cores. An induced anisotropy is indicated by a sheared hysteresis loop. Sensitive torque magnetometry measurements with a Si cantilever sensor indicated a strong, uniaxial, longitudinal easy axis in the zero-field-crystallized sample. The source is most likely magnetoelastic anisotropy, caused by the residual stress from nanocrystallization and the nonzero magnetostriction coefficient for this material. The magnetostrictive coefficient lambda(5) is measured to be 36 ppm by a strain gage technique. Field annealing reduces the magnitude of the induced anisotropy. Core loss measurements were made in the zero-field-crystallized, zero-field-crystallized- than-field-annealed, and field-crystallized states. Core loss is reduced 30%-50% (depending on frequency) by field annealing. X-ray diffraction reveals no evidence of crystalline texture or orientation that would cause the induced anisotropy. Diffusional pair ordering is thought to be the cause of the induced anisotropy. However, reannealing the samples in the absence of a magnetic field at 480 deg. C does not completely remove the induced anisotropy.

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

NASA Astrophysics Data System (ADS)

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

2017-10-01

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

Upper critical fields and two-band superconductivity in Sr 1-xEu x(Fe 0.89Co 0.11)₂As₂ (x=0.20 and 0.46)

DOE PAGES

Hu, Rongwei; Mun, Eun Deok; Altarawneh, M. M.; ...

2012-02-13

The upper critical fields H c2(T) of single crystals of Sr 1-xEu x(Fe₀.₈₉Co₀.₁₁)₂As₂ (x=0.20 and 0.46) were determined by radio-frequency penetration depth measurements in pulsed magnetic fields. H c2(T) approaches the Pauli limiting field but shows an upward curvature with an enhancement from the orbital limited field, as inferred from the Werthamer-Helfand-Hohenberg theory. We discuss the temperature dependence of the upper critical fields and the decreasing anisotropy using a two-band BCS model.

Solution-mediated growth of NBA-ZSM-5 crystals retarded by gel entrapment

NASA Astrophysics Data System (ADS)

Aguilar-Mamani, Wilson; Akhtar, Farid; Hedlund, Jonas; Mouzon, Johanne

2018-04-01

The synthesis of flat tablet-shaped ZSM-5 crystals from a gel using metakaolin as aluminosilicate source and n-butyl amine as structure directing agent was investigated. The evolution inside the solid phase was characterized by X-ray diffraction, scanning electron microscopy, energy dispersive spectroscopy, thermogravimetry and mass spectrometry. A kinetic study indicated that the nucleation of the majority crystals occurred concurrently with the formation of the gel upon heating the starting liquid suspension. Microstructural evidences undeniably showed that the gel precipitated on ZSM-5 crystals and mineral impurities originating from kaolin. As a result, crystal growth was retarded by gel entrapment, as indicated by the configuration and morphology of the embedded crystals. The results presented herein are harmonized with a solution-mediated nucleation and growth mechanism. Our observations differ from the autocatalytic model that suggests that the nuclei rest inside the gel until released when the gel is consumed. Our results show instead that it is crystals that formed in an early stage before entrapment inside the gel that rest inside the gel until exposed at the gel surface. These results illustrate the limitation of the classical method used in the field to determine nucleation profiles when the crystals become trapped inside the gel.

Collective vortex pinning and merging of the irreversibility line and second peak effect in optimally doped Ba1-xKxBiO3 single crystals

NASA Astrophysics Data System (ADS)

Jiao, Yanjing; Cheng, Wang; Deng, Qiang; Yang, Huan; Wen, Hai-Hu

2018-02-01

Measurements on magnetization and relaxation have been carried out on an optimally doped Ba1-xKxBiO3+δ single crystal with Tc = 31.3 K. Detailed analysis is undertaken on the data. Both the dynamical relaxation and conventional relaxation have been measured leading to the self-consistent determination of the magnetization relaxation rate. It is found that the data are well described by the collective pinning model leading to the glassy exponent of about μ ≈ 1.64-1.68 with the magnetic fields of 1 and 3 T. The analysis based on Maley's method combining with the conventional relaxation data allows us to determine the current dependent activation energy U which yields a μ value of about 1.23-1.29 for the magnetic fields of 1 and 3 T. The second magnetization peaks appear in wide temperature region from 2 K to 24 K. The separation between the second peak field and the irreversibility field becomes narrow when temperature is increased. When the two fields are close to each other, we find that the second peak evolves into a step-like transition of magnetization. Finally, we present a vortex phase diagram and demonstrate that the vortex dynamics in Ba1-xKxBiO3 can be used as a model system for studying the collective vortex pining.

A historical perspective on protein crystallization from 1840 to the present day.

PubMed

Giegé, Richard

2013-12-01

Protein crystallization has been known since 1840 and can prove to be straightforward but, in most cases, it constitutes a real bottleneck. This stimulated the birth of the biocrystallogenesis field with both 'practical' and 'basic' science aims. In the early years of biochemistry, crystallization was a tool for the preparation of biological substances. Today, biocrystallogenesis aims to provide efficient methods for crystal fabrication and a means to optimize crystal quality for X-ray crystallography. The historical development of crystallization methods for structural biology occurred first in conjunction with that of biochemical and genetic methods for macromolecule production, then with the development of structure determination methodologies and, recently, with routine access to synchrotron X-ray sources. Previously, the identification of conditions that sustain crystal growth occurred mostly empirically but, in recent decades, this has moved progressively towards more rationality as a result of a deeper understanding of the physical chemistry of protein crystal growth and the use of idea-driven screening and high-throughput procedures. Protein and nucleic acid engineering procedures to facilitate crystallization, as well as crystallization methods in gelled-media or by counter-diffusion, represent recent important achievements, although the underlying concepts are old. The new nanotechnologies have brought a significant improvement in the practice of protein crystallization. Today, the increasing number of crystal structures deposited in the Protein Data Bank could mean that crystallization is no longer a bottleneck. This is not the case, however, because structural biology projects always become more challenging and thereby require adapted methods to enable the growth of the appropriate crystals, notably macromolecular assemblages. © 2013 FEBS.

Topological dynamics of optical singularities in speckle-fields induced by photorefractive scattering in a LiNbO{sub 3} : Fe crystal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vasil'ev, Vasilii I; Soskin, M S

2013-02-28

A natural singular dynamics of elliptically polarised speckle-fields induced by the 'optical damage' effect in a photorefractive crystal of lithium niobate by a passing beam of a helium - neon laser is studied by the developed methods of singular optics. For the polarisation singularities (C points), a new class of chain reactions, namely, singular chain reactions are discovered and studied. It is shown that they obey the topological charge and sum Poincare index conservation laws. In addition, they exist for all the time of crystal irradiation. They consist of a series of interlocking chains, where singularity pairs arising in amore » chain annihilate with singularities from neighbouring independently created chains. Less often singular 'loop' reactions are observed where arising pairs of singularities annihilate after reversible transformations in within the boundaries of a single speckle. The type of a singular reaction is determined by a topology and dynamics of the speckles, in which the reactions are developing. (laser optics 2012)« less

Review: Serial Femtosecond Crystallography: A Revolution in Structural Biology

PubMed Central

Martin-Garcia, Jose M.; Conrad, Chelsie E.; Coe, Jesse; Roy-Chowdhury, Shatabdi; Fromme, Petra

2016-01-01

Macromolecular crystallography at synchrotron sources has proven to be the most influential method within structural biology, producing thousands of structures since its inception. While its utility has been instrumental in progressing our knowledge of structures of molecules, it suffers from limitations such as the need for large, well-diffracting crystals, and radiation damage that can hamper native structural determination. The recent advent of X-ray free electron lasers (XFELs) and their implementation in the emerging field of serial femtosecond crystallography (SFX) has given rise to a remarkable expansion upon existing crystallographic constraints, allowing structural biologists access to previously restricted scientific territory. SFX relies on exceptionally brilliant, micro-focused X-ray pulses, which are femtoseconds in duration, to probe nano/micrometer sized crystals in a serial fashion. This results in data sets comprised of individual snapshots, each capturing Bragg diffraction of single crystals in random orientations prior to their subsequent destruction. Thus structural elucidation while avoiding radiation damage, even at room temperature, can now be achieved. This emerging field has cultivated new methods for nanocrystallogenesis, sample delivery, and data processing. Opportunities and challenges within SFX are reviewed herein. PMID:27143509

Serial femtosecond crystallography: A revolution in structural biology.

PubMed

Martin-Garcia, Jose M; Conrad, Chelsie E; Coe, Jesse; Roy-Chowdhury, Shatabdi; Fromme, Petra

2016-07-15

Macromolecular crystallography at synchrotron sources has proven to be the most influential method within structural biology, producing thousands of structures since its inception. While its utility has been instrumental in progressing our knowledge of structures of molecules, it suffers from limitations such as the need for large, well-diffracting crystals, and radiation damage that can hamper native structural determination. The recent advent of X-ray free electron lasers (XFELs) and their implementation in the emerging field of serial femtosecond crystallography (SFX) has given rise to a remarkable expansion upon existing crystallographic constraints, allowing structural biologists access to previously restricted scientific territory. SFX relies on exceptionally brilliant, micro-focused X-ray pulses, which are femtoseconds in duration, to probe nano/micrometer sized crystals in a serial fashion. This results in data sets comprised of individual snapshots, each capturing Bragg diffraction of single crystals in random orientations prior to their subsequent destruction. Thus structural elucidation while avoiding radiation damage, even at room temperature, can now be achieved. This emerging field has cultivated new methods for nanocrystallogenesis, sample delivery, and data processing. Opportunities and challenges within SFX are reviewed herein. Published by Elsevier Inc.

Two Photon Absorption And Refraction in Bulk of the Semiconducting Materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumari, Vinay; Department of Physics, DCRUST Murthal, Haryana; Kumar, Vinod

2011-10-20

Fast electronic detection systems have opened up a number of new fields like nonlinear optics, optical communication, coherent optics, optical bistability, two/four wave mixing. The interest in this field has been stimulated by the importance of multiphoton processes in many fundamental aspects of physics. It has proved to be an invaluable tool for determining the optical and electronic properties of the solids because of the fact that one gets the information about the bulk of the material rather than the surface one. In this paper we report, the measurement of the nonlinear absorption and refraction from the band gap tomore » half-band gap region of bulk of semiconductors in the direct and indirect band gap crystals with nanosecond laser. The measured theoretical calculated values of two-photon absorption coefficients ({beta}) and nonlinear refraction n{sub 2}({omega}) of direct band gap crystal match the earlier reported theoretical predictions. By making use of these theoretical calculated values, we have estimated {beta} and n{sub 2}({omega}) in the case of indirect band gap crystals. Low value of absorption coefficient in case of indirect band gap crystals have been attributed to phonon assisted transition while reduction in nonlinear refraction is due to the rise in saturation taking place in the absorption.« less

Crystalline sulfur dioxide: Crystal field splittings, absolute band intensities and complex refractive indices derived from infrared spectra

NASA Technical Reports Server (NTRS)

Khanna, R. K.; Zhao, Guizhi

1986-01-01

The infrared absorption spectra of thin crystalline films of sulfur dioxide at 90 K are reported in the 2700 to 450/cm region. The observed multiplicity of the spectral features in the regions of fundamentals is attributed to factor group splittings of the modes in a biaxial crystal lattice and the naturally present minor S-34, S-36, and O-18 isotopic species. Complex refractive indices determined by an iterative Kramers-Kronig analysis of the extinction data, and absolute band strengths derived from them, are also reported in this region.

Materials processing threshold report. 1: Semiconductor crystals for infrared detectors

NASA Technical Reports Server (NTRS)

Sager, E. V.; Thompson, T. R.; Nagler, R. G.

1980-01-01

An extensive search was performed of the open literature pertaining to infrared detectors to determine what constitutes a good detector and in what way performance is limited by specific material properties. Interviews were conducted with a number of experts in the field to assess their perceptions of the state of the art and of the utility of zero-gravity processing. Based on this information base and on a review of NASA programs in crystal growth and infrared sensors, NASA program goals were reassessed and suggestions are presented as to possible joint and divergent efforts between NASA and DOD.

Objectives and Layout of a High-Resolution X-ray Imaging Crystal Spectrometer for the Large Helical Device (LHD)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bitter, M; Gates, D; Monticello, D

A high-resolution X-ray imaging crystal spectrometer, whose concept was tested on NSTX and Alcator C-Mod, is being designed for LHD. This instrument will record spatially resolved spectra of helium-like Ar16+ and provide ion temperature profiles with spatial and temporal resolutions of < 2 cm and ≥ 10 ms. The stellarator equilibrium reconstruction codes, STELLOPT and PIES, will be used for the tomographic inversion of the spectral data. The spectrometer layout and instrumental features are largely determined by the magnetic field structure of LHD.

Paradoxes of the influence of small Ni impurity additions in a NaCl crystal on the kinetics of its magnetoplasticity

NASA Astrophysics Data System (ADS)

Alshits, V. I.; Darinskaya, E. V.; Koldaeva, M. V.; Petrzhik, E. A.

2016-01-01

A comparative study of magnetoplasticity in two types of NaCl crystals differing in impurity content only by a small Ni addition (0.06 ppm) in one of them, NaCl(Ni), has been carried out. Two methods of sample magnetic exposure were used: in a constant field B = 0-0.6 T and in crossed fields in the EPR scheme—the Earth's field B Earth (50 μT) and a variable pumping field tilde B( ˜ 1 μ T) at frequencies ν 1 MHz. In the experiments in the EPR scheme, the change of the field orientation from tilde B bot B_{Earth} to . {tilde B} |B_{Earth} led to almost complete suppression of the effect in the NaCl(Ni) crystals and reduced only slightly (approximately by 20%) the height of the resonance peak of dislocation mean paths in the crystals without Ni, with the amplitude of the mean paths in NaCl(Ni) in the orientation tilde B bot B_{Earth} having been appreciably lower than that in NaCl. In contrast, upon exposure to a constant magnetic field, a more intense effect was observed in the crystal with Ni. The threshold pumping field amplitude tilde B, below which the effect is absent under resonance conditions, for the NaCl(Ni) crystals turned out to be a factor of 5 smaller than that for NaCl, while the thresholds of a constant magnetic field coincide for both types of crystals. All these differences are discussed in detail and interpreted.

Color changing plasmonic surfaces utilizing liquid crystal (Conference Presentation)

NASA Astrophysics Data System (ADS)

Franklin, Daniel; Wu, Shin-Tson; Chanda, Debashis

2016-09-01

Plasmonic structural color has recently garnered significant interest as an alternative to the organic dyes standard in print media and liquid crystal displays. These nanostructured metallic systems can produce diffraction limited images, be made polarization dependent, and exhibit resistance to color bleaching. Perhaps even more advantageous, their optical characteristics can also be tuned, post-fabrication, by altering the surrounding media's refractive index parallel to the local plasmonic fields. A common material with which to achieve this is liquid crystal. By reorienting the liquid crystal molecules through external electric fields, the optical resonances of the plasmonic filters can be dynamically controlled. Demonstrations of this phenomenon, however, have been limited to modest shifts in plasmon resonance. Here, we report a liquid crystal-plasmonic system with an enhanced tuning range through the use of a shallow array of nano-wells and high birefringent liquid crystal. The continuous metallic nanostructure maximizes the overlap between plasmonic fields and liquid crystal while also allowing full reorientation of the liquid crystal upon an applied electric field. Sweeping over structural dimensions and voltages results in a color palette for these dynamic reflective pixels that can further be exploited to create color tunable images. These advances make plasmonic-liquid crystal systems more attractive candidates for filter, display, and other tunable optical technologies.

High-field study of UCo2Si2: Magnetostriction at metamagnetic transition and influence of Fe substitution

NASA Astrophysics Data System (ADS)

Andreev, A. V.; Skourski, Y.; Gorbunov, D. I.; Prokeš, K.

2018-05-01

UCo2Si2 (tetragonal crystal structure) is antiferromagnet below TN = 83 K with ferromagnetic basal-plane layers of U magnetic moments oriented parallel to the c axis. The layers are coupled in +-+- sequence along this axis. In fields of 45 T applied along the c axis, UCo2Si2 exhibits very sharp metamagnetic transition to ++- uncompensated antiferromagnetic state. The transition is accompanied by pronounced magnetostriction effects. The crystal expands along the c axis by 1 * 10-4 and shrinks in the basal plane by 0.5 * 10-4 (at 1.5 K) resulting in negligible volume effect. Between 20 K and 40 K the transition changes from the first- to the second-order type. The Fe doping in UCo2Si2 reduces TN from 83 K to 80 K at x = 0.2 in U(Co1-xFex)2Si2. Metamagnetic transition shifts to higher fields (from 45 T at x = 0-56 T for x = 0.2). Magnetization jump over the transition remains practically the same which is in agreement with uranium magnetic moment determined by neutron diffraction on crystal with x = 0.1 as 1.29 μB, i.e. only slightly lower than that in UCo2Si2.

Using Strong Magnetic Fields to Control Solutal Convection

NASA Technical Reports Server (NTRS)

Ramachandran, N.; Leslie, F. W.

2003-01-01

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 , we 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. We postulate that limited convection in a magnetic field will provide the environment for the growth of high quality crystals. The approach exploits the variation of fluid magnetic susceptibility with concentration for this purpose and the convective damping is realized by appropriately 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. The paper will report on the experimental results using paramagnetic salts and solutions in magnetic fields and compare them to analytical predictions.

Enhanced dual-frequency operation of a polymerized liquid crystal microplate by liquid crystal infiltration

NASA Astrophysics Data System (ADS)

Kumagai, Takayuki; Yoshida, Hiroyuki; Ozaki, Masanori

2017-04-01

The electric-field-induced switching behavior of a polymer microplate is investigated. A microplate fabricated with a photopolymerizable dual-frequency liquid crystal was surrounded by an unpolymerized photopolymerizable dual-frequency liquid crystal in the isotropic phase. As an electric field was applied along the plane of the microplate, the microplate switched to set its interior molecular orientation to be either parallel or perpendicular to the field, depending on the frequency. Analysis of the rotational behavior, as well as numerical calculations, showed that the surrounding unpolymerized photopolymerizable dual-frequency liquid crystal infiltrated into the microplate, which enhanced the dielectric properties of the microplate. To the best of our knowledge, this is the first report of an enhanced dual-frequency dielectric response of a polymer microplate induced by liquid crystal infiltration.

Time-varying phononic crystals

NASA Astrophysics Data System (ADS)

Wright, Derek Warren

The primary objective of this thesis was to gain a deeper understanding of acoustic wave propagation in phononic crystals, particularly those that include materials whose properties can be varied periodically in time. This research was accomplished in three ways. First, a 2D phononic crystal was designed, created, and characterized. Its properties closely matched those determined through simulation. The crystal demonstrated band gaps, dispersion, and negative refraction. It served as a means of elucidating the practicalities of phononic crystal design and construction and as a physical verification of their more interesting properties. Next, the transmission matrix method for analyzing 1D phononic crystals was extended to include the effects of time-varying material parameters. The method was then used to provide a closed-form solution for the case of periodically time-varying material parameters. Some intriguing results from the use of the extended method include dramatically altered transmission properties and parametric amplification. New insights can be gained from the governing equations and have helped to identify the conditions that lead to parametric amplification in these structures. Finally, 2D multiple scattering theory was modified to analyze scatterers with time-varying material parameters. It is shown to be highly compatible with existing multiple scattering theories. It allows the total scattered field from a 2D time-varying phononic crystal to be determined. It was shown that time-varying material parameters significantly affect the phononic crystal transmission spectrum, and this was used to switch an incident monochromatic wave. Parametric amplification can occur under certain circumstances, and this effect was investigated using the closed-form solutions provided by the new 1D method. The complexity of the extended methods grows logarithmically as opposed linearly with existing methods, resulting in superior computational complexity for large numbers of scatterers. Also, since both extended methods provide analytic solutions, they may give further insights into the factors that govern the behaviour of time-varying phononic crystals. These extended methods may now be used to design an active phononic crystal that could demonstrate new or enhanced properties.

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

NASA Astrophysics Data System (ADS)

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

1995-03-01

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

Anisotropic Laminar Piezocomposite Actuator Incorporating Machined PMN-PT Single Crystal Fibers

NASA Technical Reports Server (NTRS)

Wilkie, W. Keats; Inman, Daniel J.; Lloyd, Justin M.; High, James W.

2006-01-01

The design, fabrication, and testing of a flexible, laminar, anisotropic piezoelectric composite actuator utilizing machined PMN-32%PT single crystal fibers is presented. The device consists of a layer of rectangular single crystal piezoelectric fibers in an epoxy matrix, packaged between interdigitated electrode polyimide films. Quasistatic free-strain measurements of the single crystal device are compared with measurements from geometrically identical specimens incorporating polycrystalline PZT-5A and PZT-5H piezoceramic fibers. Free-strain actuation of the single crystal actuator at low bipolar electric fields (+/- 250 V/mm) is approximately 400% greater than that of the baseline PZT-5A piezoceramic device, and 200% greater than that of the PZT-5H device. Free-strain actuation under high unipolar electric fields (0-4kV/mm) is approximately 200% of the PZT-5A baseline device, and 150% of the PZT-5H alternate piezoceramic device. Performance increases at low field are qualitatively consistent with predicted increases based on scaling the low-field d33 piezoelectric constants of the respective piezoelectric materials. High-field increases are much less than scaled d33 estimates, but appear consistent with high-field freestrain measurements reported for similar bulk single-crystal and piezoceramic compositions. Measurements of single crystal actuator capacitance and coupling coefficient are also provided. These properties were poorly predicted using scaled bulk material dielectric and coupling coefficient data. Rules-of-mixtures calculations of the effective elastic properties of the single crystal device and estimated actuation work energy densities are also presented. Results indicate longitudinal stiffnesses significantly lower (50% less) than either piezoceramic device. This suggests that single-crystal piezocomposite actuators will be best suited to low induced-stress, high strain and deflection applications.

Anisotropic Piezocomposite Actuator Incorporating Machined PMN-PT Single Crystal Fibers

NASA Technical Reports Server (NTRS)

Wilkie, W. Keats; Inman, Daniel J.; Lloyd, Justin M.; High, James W.

2004-01-01

The design, fabrication, and testing of a flexible, planar, anisotropic piezoelectric composite actuator utilizing machined PMN-32%PT single crystal fibers is presented. The device consists of a layer of rectangular single crystal piezoelectric fibers in an epoxy matrix, packaged between interdigitated electrode polyimide films. Quasistatic free-strain measurements of the single crystal device are compared with measurements from geometrically identical specimens incorporating polycrystalline PZT-5A and PZT-5H piezoceramic fibers. Free-strain actuation of the single crystal actuator at low bipolar electric fields (+/- 250 V/mm) is approximately 400% greater than that of the baseline PZT-5A piezoceramic device, and 200% greater than that of the PZT-5H device. Free-strain actuation under high unipolar electric fields (0-4kV/mm) is approximately 200% of the PZT-5A baseline device, and 150% of the PZT-5H alternate piezoceramic device. Performance increases at low field are qualitatively consistent with predicted increases based on scaling the low-field d(sub 33) piezoelectric constants of the respective piezoelectric materials. High-field increases are much less than scaled d(sub 33) estimates, but appear consistent with high-field freestrain measurements reported for similar bulk single-crystal and piezoceramic compositions. Measurements of single crystal actuator capacitance and coupling coefficient are also provided. These properties were poorly predicted using scaled bulk material dielectric and coupling coefficient data. Rules-of-mixtures calculations of the effective elastic properties of the single crystal device and estimated actuation work energy densities are also presented. Results indicate longitudinal stiffnesses significantly lower (50% less) than either piezoceramic device. This suggests that single-crystal piezocomposite actuators will be best suited to low induced-stress, high strain and deflection applications.

Determination of atomic site susceptibility tensors from neutron diffraction data on polycrystalline samples.

PubMed

Gukasov, A; Brown, P J

2010-12-22

Polarized neutron diffraction can provide information about the atomic site susceptibility tensor χ(ij) characterizing the magnetic response of individual atoms to an external magnetic field (Gukasov and Brown 2002 J. Phys.: Condens. Mater. 14 8831). The six independent atomic susceptibility parameters (ASPs) can be determined from polarized neutron flipping ratio measurements on single crystals and visualized as magnetic ellipsoids which are analogous to the thermal ellipsoids obtained from atomic displacement parameters (ADPs). We demonstrate now that the information about local magnetic susceptibility at different magnetic sites in a crystal can also be obtained from polarized and unpolarized neutron diffraction measurements on magnetized powder samples. The validity of the method is illustrated by the results of such measurements on a polycrystalline sample of Tb(2)Sn(2)O(7).

Resolution of the discrepancy between the variation of the physical properties of Ce 1-xYb xCoIn 5 single crystals and thin films with Yb composition

DOE PAGES

Jang, S.; White, B. D.; Lum, I. K.; ...

2014-11-18

The extraordinary electronic phenomena including an Yb valence transition, a change in Fermi surface topology, and suppression of the heavy fermion quantum critical field at a nominal concentration x≈0.2 have been found in the Ce 1-xYb xCoIn 5 system. These phenomena have no discernable effect on the unconventional superconductivity and normal-state non-Fermi liquid behaviour that occur over a broad range of x up to ~0.8. However, the variation of the coherence temperature T* and the superconducting critical temperature T c with nominal Yb concentration x for bulk single crystals is much weaker than that of thin films. To determine whethermore » differences in the actual Yb concentration of bulk single crystals and thin film samples might be responsible for these discrepancies, we employed Vegard’s law and the spectroscopically determined values of the valences of Ce and Yb as a function of x to determine the actual composition x act of bulk single crystals. This analysis is supported by energy-dispersive X-ray spectroscopy, wavelength-dispersive X-ray spectroscopy, and transmission X-ray absorption edge spectroscopy measurements. The actual composition x act is found to be about one-third of the nominal concentration x up to x~0.5, and resolves the discrepancy between the variation of the physical properties of Ce 1-xYb xCoIn 5 single crystals and thin films with Yb concentration.« less

Field induced heliconical structure of cholesteric liquid crystal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lavrentovich, Oleg D.; Shiyanovsii, Sergij V.; Xiang, Jie

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 themore » 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.« less

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.

Studies on Se75Te25-x In x chalcogenide glasses; a material for phase change memory

NASA Astrophysics Data System (ADS)

Srivastava, Archana; Tiwari, S. N.; Alvi, M. A.; Khan, Shamshad A.

2018-01-01

This research paper describes the non-isothermal crystallization during phase transformation in Se75Te25-x In x glasses synthesized by melt quenching method. For crystallization studies in these glasses, non-isothermal differential scanning calorimetry (DSC) measurements was done at constant heating rates of 5, 10, 15, 20 and 25 K min-1 in air atmosphere. The glass transition temperature (T g), on-set crystallization temperature (T c), peak crystallization temperature (T p) and melting temperatures (T m) were derived by DSC thermograms. Using various thermal parameters the activation energy of glass transition and crystallization were determined by using Kissinger, Moynihan and Ozawa approaches and found to be in good agreement. The value of the activation energy of glass transition (ΔE t) was found to be minimum for Se75Te19In6 alloys confirming its maximum probability of transition in a metastable state. Thermal stability parameters of Se75Te25-x In x were determined and found to be increased with indium content. High resolution x-ray diffraction and field emission scanning electron microscopy studies were employed for the study of phase transformation in Se75Te25-x In x glasses. The outcome of these studies shows that the investigated materials may be suitable for phase change memory devices.

Picosecond Electric-Field-Induced Threshold Switching in Phase-Change Materials.

PubMed

Zalden, Peter; Shu, Michael J; Chen, Frank; Wu, Xiaoxi; Zhu, Yi; Wen, Haidan; Johnston, Scott; Shen, Zhi-Xun; Landreman, Patrick; Brongersma, Mark; Fong, Scott W; Wong, H-S Philip; Sher, Meng-Ju; Jost, Peter; Kaes, Matthias; Salinga, Martin; von Hoegen, Alexander; Wuttig, Matthias; Lindenberg, Aaron M

2016-08-05

Many chalcogenide glasses undergo a breakdown in electronic resistance above a critical field strength. Known as threshold switching, this mechanism enables field-induced crystallization in emerging phase-change memory. Purely electronic as well as crystal nucleation assisted models have been employed to explain the electronic breakdown. Here, picosecond electric pulses are used to excite amorphous Ag_{4}In_{3}Sb_{67}Te_{26}. Field-dependent reversible changes in conductivity and pulse-driven crystallization are observed. The present results show that threshold switching can take place within the electric pulse on subpicosecond time scales-faster than crystals can nucleate. This supports purely electronic models of threshold switching and reveals potential applications as an ultrafast electronic switch.

Determination of the electric field gradient in RbCaF3 near the phase transition

NASA Astrophysics Data System (ADS)

Hepp, M. A.; Man, P. P.; Trokiner, A.; Zanni, H.; Fraissard, J.

1992-12-01

The fluoroperovskite, RbCaF 3 undergoes a phase transition at 195.5K from a cubic to a tetragonal phase. The order parameter for this transition is directly related to the electric field gradient which arises in the tetragonal phase. In this work, we have used three NMR methods to measure the electric field gradient at the 87Rb site in a single crystal of RbCaF 3, very near this transition. These experiments are based on recent theoretical developments which allow the measurement of quadrupole parameters even for nuclei in a weak electric field gradient.

Two Beam Energy Exchange in Hybrid Liquid Crystal Cells with Photorefractive Field Controlled Boundary Conditions (Postprint)

DTIC Science & Technology

2016-09-12

AFRL-RX-WP-JA-2017-0209 TWO BEAM ENERGY EXCHANGE IN HYBRID LIQUID CRYSTAL CELLS WITH PHOTOREFRACTIVE FIELD CONTROLLED BOUNDARY...estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining the... CRYSTAL CELLS WITH PHOTOREFRACTIVE FIELD CONTROLLED BOUNDARY CONDITIONS (POSTPRINT) 5a. CONTRACT NUMBER FA8650-16-D-5402-0001 5b. GRANT

Organic Crystal Engineering of Thermosetting Cyanate Ester Monomers: Influence of Structure on Melting Point

DTIC Science & Technology

2016-05-27

often discussed in the field of thermosetting materials, crystal engineering1-4 plays a key role in facilitating the successful utilization of these...not to alter the desirable properties of the polymerized networks. Fortunately, the field of crystal engineering provides examples where even very...Chickos and Acree.26 For molecular modeling, methods ranging from atomistic simulations with semi-empirical force fields to density functional

The Design of a Transparent Vertical Multizone Furnace: Application to Thermal Field Tuning and Crystal Growth

NASA Technical Reports Server (NTRS)

Duvual, Walter M. B.; Batur, Celal; Bennett, Robert J.

1998-01-01

We present an innovative design of a vertical transparent multizone furnace which can operate in the temperature range of 25 C to 750 C and deliver thermal gradients of 2 C/cm to 45 C/cm for the commercial applications to crystal growth. The operation of the eight zone furnace is based on a self-tuning temperature control system with a DC power supply for optimal thermal stability. We show that the desired thermal profile over the entire length of the furnace consists of a functional combination of the fundamental thermal profiles for each individual zone obtained by setting the set-point temperature for that zone. The self-tuning system accounts for the zone to zone thermal interactions. The control system operates such that the thermal profile is maintained under thermal load, thus boundary conditions on crystal growth ampoules can be predetermined prior to crystal growth. Temperature profiles for the growth of crystals via directional solidification, vapor transport techniques, and multiple gradient applications are shown to be easily implemented. The unique feature of its transparency and ease of programming thermal profiles make the furnace useful in scientific and commercial applications for determining the optimized process parameters for crystal growth.

Low Temperature Photoluminescence of PVT Grown ZnSe and ZnSeTe

NASA Technical Reports Server (NTRS)

Wang, Ling Jun; Su, Ching-Hua; Lehoczky, S. L.

1999-01-01

ZnSe and ZnSeTe single crystals were grown by physical vapor transport (PVT) technique horizontally and vertically. The grown ZnSe and ZnSeTe single crystals were characterized by low temperature photoluminescence at 5 to 10 K using the 3.4 eV emission of an argon laser. The intensity of the sharp near band edge defect lines at 2.799, 2.783 eV and the intrinsic free exciton line at 2.802 eV were mapped on various crystal surfaces with different orientations to the gravitational field. The results show the effects of gravity vector orientation on the defect segregation. Comparison of the photoluminescence spectra of the ZeSe crystal before and after annealing in the Zn vapor shows that the 2.783 eV line of ZnSe crystal is related to the zinc vacancy. The photoluminescence spectra of the ternary ZnSeTe crystal were characterized by a single broad band from 2.2 to 2.4 eV, with a Full Width at Half Maximum (FWHM) of about 100 meV. The temperature dependence of the peak position and intensity were determined from 7 to 150 K.

Photoemf in cadmium sulfide

NASA Technical Reports Server (NTRS)

Boeer, K. W.

1971-01-01

Theoretical and experimental investigations on CdS single crystals and CuxS:CdS photovoltaic cells prepared from CdS single crystals by a chemical-dip procedure are described. The studies are aimed at clarifying cell mechanisms which affect key cell properties (efficiency, reliability, and lifetime) by examining the properties of intrinsic and extrinsic defects in the junction and surface regions and their effects on carrier transport through these regions. The experimental research described includes studies of thermal, infrared, and field quenching of acceptor-doped CdS crystals; investigation of optical and electrical properties of CuxS:CdS photovoltaic cells (current-voltage characteristics, spectral distribution of photocurrent and photovoltage) and the dependence of these properties on temperature and light intensity; measurement of changes, as a result of heat treatment in ultrahigh vacuum, in the spectral distribution of photoconductivity at room temperature and liquid nitrogen temperature, the luminescence spectrum at liquid nitrogen temperature, and the thermally stimulated current curves of CdS crystals; determination of the effect of irradiation with 150 keV (maximum) X-rays on the spectral distribution of photoconductivity and thermally-stimulated current of CdS crystals; and studies of the effect of growth conditions on the photoconductive properties of CdS crystals.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Praetorius, Simon, E-mail: simon.praetorius@tu-dresden.de; Voigt, Axel, E-mail: axel.voigt@tu-dresden.de

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.

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.

Construction of crystal structure prototype database: methods and applications.

PubMed

Su, Chuanxun; Lv, Jian; Li, Quan; Wang, Hui; Zhang, Lijun; Wang, Yanchao; Ma, Yanming

2017-04-26

Crystal structure prototype data have become a useful source of information for materials discovery in the fields of crystallography, chemistry, physics, and materials science. This work reports the development of a robust and efficient method for assessing the similarity of structures on the basis of their interatomic distances. Using this method, we proposed a simple and unambiguous definition of crystal structure prototype based on hierarchical clustering theory, and constructed the crystal structure prototype database (CSPD) by filtering the known crystallographic structures in a database. With similar method, a program structure prototype analysis package (SPAP) was developed to remove similar structures in CALYPSO prediction results and extract predicted low energy structures for a separate theoretical structure database. A series of statistics describing the distribution of crystal structure prototypes in the CSPD was compiled to provide an important insight for structure prediction and high-throughput calculations. Illustrative examples of the application of the proposed database are given, including the generation of initial structures for structure prediction and determination of the prototype structure in databases. These examples demonstrate the CSPD to be a generally applicable and useful tool for materials discovery.

Analysis of spin-Hamiltonian and molecular orbital coefficients of Cu2+ doped C8H11KO8 single crystal through EPR technique

NASA Astrophysics Data System (ADS)

Juliet sheela, K.; Krishnan, S. Radha; Shanmugam, V. M.; Subramanian, P.

2018-04-01

Electron paramagnetic resonance (EPR) studies have been investigated at X-band microwave frequency on Cu2+ ion incorporated into the single crystal of potassium succinate-succinic acid (KSSA) at room temperature. The angular variation of the EPR spectra has shown two magnetically in-equivalent Cu2+ sites in the KSSA single crystal system. The spin Hamiltonian parameters g and A are determined which reveals that the site I and site II occupied in rhombic and axial local field symmetry around the impurity ion. Among the two paramagnetic impurity ions, sites one occupies at substituitional position in the place of monovalent cation (K+) in the crystal whereas the other enters in its lattice interstitially by the correlation of EPR and crystal structure data. From the calculated principle values gxx, gyy, gzz and Axx, Ayy, Azz of both the sites, the admixture coefficients and molecular orbital coefficients were evaluated which gives the information of ground state wave function and types of bonding of impurity ions with the ligands.

Construction of crystal structure prototype database: methods and applications

NASA Astrophysics Data System (ADS)

Su, Chuanxun; Lv, Jian; Li, Quan; Wang, Hui; Zhang, Lijun; Wang, Yanchao; Ma, Yanming

2017-04-01

Crystal structure prototype data have become a useful source of information for materials discovery in the fields of crystallography, chemistry, physics, and materials science. This work reports the development of a robust and efficient method for assessing the similarity of structures on the basis of their interatomic distances. Using this method, we proposed a simple and unambiguous definition of crystal structure prototype based on hierarchical clustering theory, and constructed the crystal structure prototype database (CSPD) by filtering the known crystallographic structures in a database. With similar method, a program structure prototype analysis package (SPAP) was developed to remove similar structures in CALYPSO prediction results and extract predicted low energy structures for a separate theoretical structure database. A series of statistics describing the distribution of crystal structure prototypes in the CSPD was compiled to provide an important insight for structure prediction and high-throughput calculations. Illustrative examples of the application of the proposed database are given, including the generation of initial structures for structure prediction and determination of the prototype structure in databases. These examples demonstrate the CSPD to be a generally applicable and useful tool for materials discovery.

Magneto-optical properties of biogenic photonic crystals in algae

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iwasaka, M., E-mail: iwasaka-m@umin.ac.jp; Japan Science and Technology Agency, PRESTO, 4-1-8 Honcho, Kawaguchi 332-0012 Saitama; Mizukawa, Y.

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

Optical coherence of 166Er:7LiYF4 crystal below 1 K

NASA Astrophysics Data System (ADS)

Kukharchyk, N.; Sholokhov, D.; Morozov, O.; Korableva, S. L.; Kalachev, A. A.; Bushev, P. A.

2018-02-01

We explore optical coherence and spin dynamics of an isotopically purified 166Er:7LiYF4 crystal below 1 K and at weak magnetic fields < 0.3T. Crystals were grown in our lab and demonstrate narrow inhomogeneous optical broadening down to 16 MHz. Solid-state atomic ensembles with such narrow linewidths are very attractive for implementing of off-resonant Raman quantum memory and for the interfacing of superconducting quantum circuits and telecom C-band optical photons. Both applications require a low magnetic field of ∼10 mT. However, at conventional experimental temperatures T > 1.5 K, optical coherence of Er:LYF crystal attains ≃ 10 μ {{s}} time scale only at strong magnetic fields above 1.5 T. In the present work, we demonstrate that the deep freezing of Er:LYF crystal below 1 K results in the increase of optical coherence time to ≃ 100 μ {{s}} at weak fields.

Field-Induced Transient Periodic Structures in Nematic Liquid Crystals: The Twist-Fréedericksz Transition

NASA Astrophysics Data System (ADS)

Lonberg, Franklin; Fraden, Seth; Hurd, Alan J.; Meyer, Robert E.

1984-05-01

Field-induced reorientations of liquid crystals, far from equilibrium, produce spatially periodic responses. The wavelength selected maximizes response speed. A detailed analysis of the effect in a novel geometry is presented, along with a discussion of its general importance in polymerlike liquid crystals.

Electro-optic high voltage sensor

DOEpatents

Davidson, James R.; Seifert, Gary D.

2002-01-01

A small sized electro-optic voltage sensor capable of accurate measurement of high levels of voltages without contact with a conductor or voltage source is provided. When placed in the presence of an electric field, the sensor receives an input beam of electromagnetic radiation into the sensor. A polarization beam displacer serves as a filter to separate the input beam into two beams with orthogonal linear polarizations. The beam displacer is oriented in such a way as to rotate the linearly polarized beams such that they enter a Pockels crystal having at a preferred angle of 45 degrees. The beam displacer is therefore capable of causing a linearly polarized beam to impinge a crystal at a desired angle independent of temperature. The Pockels electro-optic effect induces a differential phase shift on the major and minor axes of the input beam as it travels through the Pockels crystal, which causes the input beam to be elliptically polarized. A reflecting prism redirects the beam back through the crystal and the beam displacer. On the return path, the polarization beam displacer separates the elliptically polarized beam into two output beams of orthogonal linear polarization representing the major and minor axes. The system may include a detector for converting the output beams into electrical signals, and a signal processor for determining the voltage based on an analysis of the output beams. The output beams are amplitude modulated by the frequency of the electric field and the amplitude of the output beams is proportional to the magnitude of the electric field, which is related to the voltage being measured.

Protein crystal growth

NASA Technical Reports Server (NTRS)

Bugg, Charles E.

1993-01-01

Proteins account for 50% or more of the dry weight of most living systems and play a crucial role in virtually all biological processes. Since the specific functions of essentially all biological molecules are determined by their three-dimensional structures, it is obvious that a detailed understanding of the structural makeup of a protein is essential to any systematic research pertaining to it. At the present time, protein crystallography has no substitute, it is the only technique available for elucidating the atomic arrangements within complicated biological molecules. Most macromolecules are extremely difficult to crystallize, and many otherwise exciting and promising projects have terminated at the crystal growth stage. There is a pressing need to better understand protein crystal growth, and to develop new techniques that can be used to enhance the size and quality of protein crystals. There are several aspects of microgravity that might be exploited to enhance protein crystal growth. The major factor that might be expected to alter crystal growth processes in space is the elimination of density-driven convective flow. Another factor that can be readily controlled in the absence of gravity is the sedimentation of growing crystal in a gravitational field. Another potential advantage of microgravity for protein crystal growth is the option of doing containerless crystal growth. One can readily understand why the microgravity environment established by Earth-orbiting vehicles is perceived to offer unique opportunities for the protein crystallographer. The near term objectives of the Protein Crystal Growth in a Microgravity Environment (PCG/ME) project is to continue to improve the techniques, procedures, and hardware systems used to grow protein crystals in Earth orbit.

Photonic crystal wave guide for non-cryogenic cooled carbon nanotube based middle wave infrared sensors

NASA Astrophysics Data System (ADS)

Fung, Carmen Kar Man; Xi, Ning; Lou, Jianyong; Lai, King Wai Chiu; Chen, Hongzhi

2010-10-01

We report high sensitivity carbon nanotube (CNT) based middle wave infrared (MWIR) sensors with a two-dimensional photonic crystal waveguide. MWIR sensors are of great importance in a variety of current military applications including ballistic missile defense, surveillance and target detection. Unlike other existing MWIR sensing materials, CNTs exhibit low noise level and can be used as new nano sensing materials for MWIR detection where cryogenic cooling is not required. However, the quantum efficiency of the CNT based infrared sensor is still limited by the small sensing area and low incoming electric field. Here, a photonic nanostructure is used as a resonant cavity for boosting the electric field intensity at the position of the CNT sensing element. A two-dimensional photonic crystal with periodic holes in a polymer thin film is fabricated and a resonant cavity is formed by removing holes from the array of the photonic crystal. Based on the design of the photonic crystal topologies, we theoretically study the electric field distribution to predict the resonant behavior of the structure. Numerical simulations reveal the field is enhanced and almost fully confined to the defect region of the photonic crystal. To verify the electric field enhancement effect, experiments are also performed to measure the photocurrent response of the sensor with and without the photonic crystal resonant cavity. Experimental results show that the photocurrent increases ~3 times after adding the photonic crystal resonant cavity.

Single crystal growth by gel technique and characterization of lithium hydrogen tartrate

NASA Astrophysics Data System (ADS)

Ahmad, Nazir; Ahmad, M. M.; Kotru, P. N.

2015-02-01

Single crystal growth of lithium hydrogen tartrate by gel encapsulation technique is reported. Dependence of crystal count on gel density, gel pH, reactant concentration and temperature are studied and the optimum conditions for these crystals are worked out. The stoichiometric composition of the grown crystals is determined using EDAX/AES and CH analysis. The grown crystals are characterized by X-ray diffraction, FTIR and Uv-Visible spectroscopy. It is established that crystal falls under orthorhombic system and space group P222 with the cell parameters as: a=10.971 Å, b=13.125 Å and c=5.101 Å; α=90.5o, β=γ=90°. The morphology of the crystals as revealed by SEM is illustrated. Crystallite size, micro strain, dislocation density and distortion parameters are calculated from the powder XRD results of the crystal. UV-vis spectroscopy shows indirect allowed transition with an optical band gap of 4.83 eV. The crystals are also shown to have high transmittance in the entire visible region. Dependence of dielectric constant, dielectric loss and conductivity on frequency of the applied ac field is analyzed. The frequency-dependent real part of the complex ac conductivity is found to follow the universal dielectric response: σac (ω) ωs. The trend in the variation of frequency exponent with frequency corroborates the fact that correlated barrier hopping is the dominant charge-transport mechanism in the present system.

Target surface area effects on hot electron dynamics from high intensity laser–plasma interactions

DOE PAGES

Zulick, C.; Raymond, A.; McKelvey, A.; ...

2016-06-15

Reduced surface area targets were studied using an ultra-high intensity femtosecond laser in order to determine the effect of electron sheath field confinement on electron dynamics. X-ray emission due to energetic electrons was imaged using a K α imaging crystal. Electrons were observed to travel along the surface of wire targets, and were slowed mainly by the induced fields. Targets with reduced surface areas were correlated with increased hot electron densities and proton energies. Furthermore, Hybrid Vlasov–Fokker–Planck simulations demonstrated increased electric sheath field strength in reduced surface area targets.

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

PubMed

Samlan, C T; Viswanathan, Nirmal K

2018-01-31

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

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

NASA Astrophysics Data System (ADS)

Gajek, Z.; Mulak, J.

1990-07-01

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

Countering Solutal Buoyant Convection with High Magnetic Fields

NASA Technical Reports Server (NTRS)

Ramachandran, N.; Leslie, F. W.

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 biochemist, biologists, and bioengineers. Macromolecular crystals are obtained from solutions that contain the crystallizing species in equilibrium with higher aggregates, ions, precipitant, 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, we have been able to dramatically effect 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. We postulate that limited convection in a magnetic field will provide the environment for the growth of high quality crystals. The approach exploits the variation of fluid magnetic susceptibility with concentration for this purpose and the convective damping is realized by appropriately 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. The paper will report on the current status of the investigation and discuss results from the experimental and modeling efforts.

Crystal structure of stacking faults in InGaAs/InAlAs/InAs heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trunkin, I. N.; Presniakov, M. Yu.; Vasiliev, A. L., E-mail: a.vasiliev56@gmail.com

Stacking faults and dislocations in InGaAs/InAlAs/InAs heterostructures have been studied by electron microscopy. The use of different techniques of transmission electron microscopy (primarily, highresolution dark-field scanning transmission electron microscopy) has made it possible to determine the defect structure at the atomic level.

The influence of an external electric field on the propagation of light waves in cholesteric liquid crystal cells

NASA Astrophysics Data System (ADS)

Aksenova, E. V.; Karetnikov, A. A.; Kovshik, A. P.; Krainyukov, E. S.; Svanidze, A. V.

2017-05-01

The specific features of light transmission in a cholesteric liquid crystal (LC) cell with a director rotated by 90° have been investigated. In this structure, where a light wave is incident at a large angle with respect to the LC surface, the light is reflected (refracted) in the LC layer near the opposite boundary. It is shown that the application of an electric field changes the character of extraordinary wave refraction, as a result of which light starts passing through a cell. The transmission threshold voltage is determined, and its dependence on the angle of incidence of light is obtained. The dependence of the transmitted-light intensity on the voltage across the cell is obtained as well. The same dependences are also derived by numerical calculations with allowance for the turning points and extinction.

High temperature crystal field spectra of transition metal-bearing minerals - Relevance to remote-sensed spectra of planetary surfaces

NASA Technical Reports Server (NTRS)

Parkin, K. M.; Burns, R. G.

1980-01-01

It is pointed out that transition metal ions in silicate minerals, glasses, and crystalline and amorphous oxyhydroxides and salts contribute to the visible-near infrared spectral profiles of planetary surfaces. Investigations are conducted to obtain spectral information which might be helpful in the interpretation of the remote-sensed spectra of planetary surfaces. A description is presented of the results of high temperature crystal field spectral measurements of a variety of heated minerals containing Cr(3+), Fe(3+), Fe(++), and Mn(++) ions in different coordination symmetries, taking into account a correlation of the temperature-induced variations with those previously observed for octahedrally coordinated Fe(++)-bearing silicates. The employed experimental methods are also discussed, giving attention to the preparation of the samples, the determination of the absorption spectra, electron microprobe analyses, and the curve fitting procedure.

(K, Na, Li)(Nb, Ta)O3:Mn lead-free single crystal with high piezoelectric properties

PubMed Central

Huo, Xiaoqing; Zhang, Rui; Zheng, Limei; Zhang, Shujun; Wang, Rui; Wang, Junjun; Sang, Shijing; Yang, Bin; Cao, Wenwu

2016-01-01

Lead-free single crystal, (K, Na, Li)(Nb, Ta)O3:Mn, was successfully grown using top-seeded solution growth method. Complete matrix of dielectric, piezoelectric and elastic constants for [001]C poled single crystal was determined. The piezoelectric coefficient d33 measured by the resonance method was 545 pC/N, which is almost three times that of its ceramic counterpart. The values measured by the Berlincourt meter ( d33∗=630pC/N) and strain-field curve ( d33∗∗=870pm/V) were even higher. The differences were assumed to relate with the different extrinsic contributions of domain wall vibration and domain wall translation during the measurements by different approaches, where the intrinsic contribution (on the order of 539 pm/V) was supposed to be the same. The crystal has ultrahigh electromechanical coupling factor (k33 ~ 95%) and high ultrasound velocity, which make it promising for high frequency medical transducer applications. PMID:27594704

Thermo- and electro-optical properties of photonic liquid crystal fibers doped with gold nanoparticles.

PubMed

Siarkowska, Agata; Chychłowski, Miłosz; Budaszewski, Daniel; Jankiewicz, Bartłomiej; Bartosewicz, Bartosz; Woliński, Tomasz R

2017-01-01

Thermo- and electro-optical properties of a photonic liquid crystal fiber (PLCF) enhanced by the use of dopants have been investigated. A 6CHBT nematic liquid crystal was doped with four different concentrations of gold nanoparticles (NPs), 0.1, 0.3, 0.5 and 1.0 wt %, for direct comparison of the influence of the dopant on the properties of the PLCF. The thermo-optical effects of the liquid crystal doped with gold NPs were compared in three setups, an LC cell, a microcapillary and within the PLCF, to determine if the observed responses to external factors are caused by the properties of the infiltration material or due to the setup configuration. The results obtained indicated that with increasing NP doping a significant reduction of the rise time under an external electric field occurs with a simultaneous decrease in the nematic-isotropic phase transition temperature, thus improving the thermo- and electro-optical properties of the PLCF.

Excitonic spectra in HgGa2Se4 crystals

NASA Astrophysics Data System (ADS)

Syrbu, N. N.; Zalamai, V. V.

2018-02-01

Ground and excited states of four excitonic series (A, B, C and D) were discovered in HgGa2Se4 crystals at 10 K. Parameters of excitons and bands were determined. An effective mass of electrons mc is equal to 0.26m0 and masses of holes mv1, mv2 and mv3 are equal to 2.48m0, 2.68m0 and 1.6m0 respectively in Γ point of Brilloin zone. Valence bands splitting by crystal field (Δcf = 70 meV) and spin-orbital interaction (Δso = 250 meV) were estimated in Brillouin zone center. Optical functions (n, ε1 and ε2) for polarizations E⊥c and E||c in electron transitions region (2-6 eV) were calculated by Kramers-Kronig method. The discovered features were discussed on a base of the existing theoretical energetical band structure calculations and excitonic bands symmetries in k = 0 Brillouin zone for chalcopyrite crystals. The resonance Raman scattering was investigated.

Space-time crystals of trapped ions.

PubMed

Li, Tongcang; Gong, Zhe-Xuan; Yin, Zhang-Qi; Quan, H T; Yin, Xiaobo; Zhang, Peng; Duan, L-M; Zhang, Xiang

2012-10-19

Spontaneous symmetry breaking can lead to the formation of time crystals, as well as spatial crystals. Here we propose a space-time crystal of trapped ions and a method to realize it experimentally by confining ions in a ring-shaped trapping potential with a static magnetic field. The ions spontaneously form a spatial ring crystal due to Coulomb repulsion. This ion crystal can rotate persistently at the lowest quantum energy state in magnetic fields with fractional fluxes. The persistent rotation of trapped ions produces the temporal order, leading to the formation of a space-time crystal. We show that these space-time crystals are robust for direct experimental observation. We also study the effects of finite temperatures on the persistent rotation. The proposed space-time crystals of trapped ions provide a new dimension for exploring many-body physics and emerging properties of matter.

Study of crystal-field interaction in magnetic frustrated lead pyrochlore Gd2Pb2O7

NASA Astrophysics Data System (ADS)

Swarnakar, D.; Jana, Y. M.

2018-05-01

A fine tuning between the crystal field and the molecular field to adopt unique ground state in frustrated magnetic R2M2O7 pyrochlores structures is made by the variation of chemical pressure at R-site caused by substitution of nonmagnetic cation of M-site. Existence 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-site which leads to a dramatic change in the crystal-field and molecular field. To investigate the effect of chemical pressure, the experimental results of powder magnetic susceptibility and isothermal magnetization of the frustrated compound Gd2Pb2O7 containing largest cation, e.g. lead (Pb), at M4+-sites were 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 Gd-ion in Gd2Pb2O7 are 477 cm-1 and 4.8 cm-1 respectively which are the lowest among their isomorphous counterparts, implying reduced effect of the crystal-field at Gd site in Gd2Pb2O7.

Study on the temperature field of large-sized sapphire single crystal furnace

NASA Astrophysics Data System (ADS)

Zhai, J. P.; Jiang, J. W.; Liu, K. G.; Peng, X. B.; Jian, D. L.; Li, I. L.

2018-01-01

In this paper, the temperature field of large-sized (120kg, 200kg and 300kg grade) sapphire single crystal furnace was simulated. By keeping the crucible diameter ratio and the insulation system unchanged, the power consumption, axial and radial temperature gradient, solid-liquid surface shape, stress distribution and melt flow were studied. The simulation results showed that with the increase of the single crystal furnace size, the power consumption increased, the temperature field insulation effect became worse, the growth stress value increased and the stress concentration phenomenon occurred. To solve these problems, the middle and bottom insulation system should be enhanced during designing the large-sized sapphire single crystal furnace. The appropriate radial and axial temperature gradient was favorable to reduce the crystal stress and prevent the occurrence of cracking. Expanding the interface between the seed and crystal was propitious to avoid the stress accumulation phenomenon.

Terahertz excitation spectra of InP single crystals

NASA Astrophysics Data System (ADS)

Norkus, R.; Arlauskas, A.; Krotkus, A.

2018-07-01

Investigation of terahertz (THz) pulse generation from semi-insulating and n-type InP crystals surfaces is presented in this letter. In order to determine energy separation between the main and subsidiary conduction band valleys, THz pulse amplitude dependences on the photoexcitation wavelength (in a range of 410–950 nm) were measured. These dependences had a clear maximum at ∼540 nm, from which the inter-valley energy separation in the conduction band of InP as equal to 0.75 eV was determined. Moreover, THz generation mechanisms at laser excited surfaces of InP were investigated by additionally analyzing the azimuthal angle dependences of the emitted THz signal amplitude and power. It has been shown that the main physical mechanism of the surface THz emission in this material is the spatial separation of photoexcited electrons and holes, which can also lead to a symmetry similar to the second order optical nonlinearity. Photocurrent surge in the surface electric field can also contribute to the THz emission from a semi-insulating crystal illuminated by optical pulses with the wavelengths close to the absorption edge.

Magnetically-induced ferroelectricity in the (ND4)2[FeCl5(D2O)] molecular compound

PubMed Central

Alberto Rodríguez-Velamazán, José; Fabelo, Óscar; Millán, Ángel; Campo, Javier; Johnson, Roger D.; Chapon, Laurent

2015-01-01

The number of magnetoelectric multiferroic materials reported to date is scarce, as magnetic structures that break inversion symmetry and induce an improper ferroelectric polarization typically arise through subtle competition between different magnetic interactions. The (NH4)2[FeCl5(H2O)] compound is a rare case where such improper ferroelectricity has been observed in a molecular material. We have used single crystal and powder neutron diffraction to obtain detailed solutions for the crystal and magnetic structures of (NH4)2[FeCl5(H2O)], from which we determined the mechanism of multiferroicity. From the crystal structure analysis, we observed an order-disorder phase transition related to the ordering of the ammonium counterion. We have determined the magnetic structure below TN, at 2 K and zero magnetic field, which corresponds to a cycloidal spin arrangement with magnetic moments contained in the ac-plane, propagating parallel to the c-axis. The observed ferroelectricity can be explained, from the obtained magnetic structure, via the inverse Dzyaloshinskii-Moriya mechanism. PMID:26417890

Anisotropic antiferromagnetic order in the spin-orbit coupled trigonal-lattice Ca2Sr2IrO6

NASA Astrophysics Data System (ADS)

Sheng, Jieming; Ye, Feng; Hoffmann, Christina; Cooper, Valentino R.; Okamoto, Satoshi; Terzic, Jasminka; Zheng, Hao; Zhao, Hengdi; Cao, G.

2018-06-01

We used single-crystal x-ray and neutron diffraction to investigate the crystal and magnetic structures of trigonal lattice iridate Ca2Sr2IrO6 . The crystal structure is determined to be R 3 ¯ with two distinct Ir sites. The system exhibits long-range antiferromagnetic order below TN=13.1 K. The magnetic wave vector is identified as (0,0.5,1) with ferromagnetic coupling along the a axis and antiferromagnetic correlation along the b axis. Spins align dominantly within the basal plane along the [1,2,0] direction and tilt 34∘ toward the c axis. The ordered moment is 0.66(3) μB/Ir, larger than other iridates where iridium ions form corner- or edge-sharing IrO6 octahedral networks. The tilting angle is reduced to ≈19∘ when a magnetic field of 4.9 T is applied along the c axis. Density functional theory calculations confirm that the experimentally determined magnetic configuration is the most probable ground state with an insulating gap ˜0.5 eV.

Angle-dependent rotation of calcite in elliptically polarized light

NASA Astrophysics Data System (ADS)

Herne, Catherine M.; Cartwright, Natalie A.; Cattani, Matthew T.; Tracy, Lucas A.

2017-08-01

Calcite crystals trapped in an elliptically polarized laser field exhibit intriguing rotational motion. In this paper, we show measurements of the angle-dependent motion, and discuss how the motion of birefringent calcite can be used to develop a reliable and efficient process for determining the polarization ellipticity and orientation of a laser mode. The crystals experience torque in two ways: from the transfer of spin angular momentum (SAM) from the circular polarization component of the light, and from a torque due to the linear polarization component of the light that acts to align the optic axis of the crystal with the polarization axis of the light. These torques alternatingly compete with and amplify each other, creating an oscillating rotational crystal velocity. We model the behavior as a rigid body in an angle-dependent torque. We experimentally demonstrate the dependence of the rotational velocity on the angular orientation of the crystal by placing the crystals in a sample solution in our trapping region, and observing their behavior under different polarization modes. Measurements are made by acquiring information simultaneously from a quadrant photodiode collecting the driving light after it passes through the sample region, and by imaging the crystal motion onto a camera. We finish by illustrating how to use this model to predict the ellipticity of a laser mode from rotational motion of birefringent crystals.

Metastability Gap in the Phase Diagram of Monoclonal IgG Antibody.

PubMed

Rowe, Jacob B; Cancel, Rachel A; Evangelous, Tyler D; Flynn, Rhiannon P; Pechenov, Sergei; Subramony, J Anand; Zhang, Jifeng; Wang, Ying

2017-10-17

Crystallization of IgG antibodies has important applications in the fields of structural biology, biotechnology, and biopharmaceutics. However, a rational approach to crystallize antibodies is still lacking. In this work, we report a method to estimate the solubility of antibodies at various temperatures. We experimentally determined the full phase diagram of an IgG antibody. Using the full diagram, we examined the metastability gaps, i.e., the distance between the crystal solubility line and the liquid-liquid coexistence curve, of IgG antibodies. By comparing our results to the partial phase diagrams of other IgGs reported in literature, we found that IgG antibodies have similar metastability gaps. Thereby, we present an equation with two phenomenological parameters to predict the approximate location of the solubility line of IgG antibodies with respect to their liquid-liquid coexistence curves. We have previously shown that the coexistence curve of an antibody solution can be readily determined by the polyethylene glycol-induced liquid-liquid phase separation method. Combining the polyethylene glycol-induced liquid-liquid phase separation measurements and the phenomenological equation in this article, we provide a general and practical means to predict the thermodynamic conditions for crystallizing IgG antibodies in the solution environments of interest. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Current response of a TlBr detector to {sup 137}Cs {gamma}-ray radiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gazizov, I. M., E-mail: gazizov@isotop.dubna.ru; Zaletin, V. M.; Kukushkin, V. M.

2011-05-15

The current response of a TlBr detector to {sup 137}Cs {gamma}-ray radiation has been studied in the dose-rate range 0.033-3.84 Gy/min and within the voltage range 1-300 V; the detectors are based on pure and doped TlBr crystals grown from the melt by the Bridgman-Stockbarger method. The mass fraction of Pb or Ca introduced into the TlBr crystals was 1-10 ppm for Pb and 150 ppm for Ca. The current response of nominally undoped TlBr samples was nearly linear over two decades of studied dose rates. Deep hole levels associated with cationic vacancies V{sub c}{sup -} determine the dependence ofmore » the current response on the voltage in the high electric fields. The parameters of the carriers' transport {mu}{tau} are determined. The TlBr crystals grown in vacuum and in the bromine vapor exhibit a large mobility-lifetime product of 4.3 Multiplication-Sign 10{sup -4} and 6.4 Multiplication-Sign 10{sup -5} cm{sup 2}V{sup -1}, respectively. The value of {mu}{tau} is in the range (4-9) Multiplication-Sign 10{sup -5} cm{sup 2}V{sup -1} for crystals doped with a divalent cation.« less

Synthesis, X-ray Single Crystal Structure, Molecular Docking and DFT Computations on N-[(1E)-1-(2H-1,3-Benzodioxol-5-yl)-3-(1H-imidazol-1-yl)propylidene]-hydroxylamine: A New Potential Antifungal Agent Precursor.

PubMed

Al-Wabli, Reem I; Al-Ghamdi, Alwah R; Ghabbour, Hazem A; Al-Agamy, Mohamed H; Monicka, James Clemy; Joe, Issac Hubert; Attia, Mohamed I

2017-02-28

Mycoses are serious health problem, especially in immunocompromised individuals. A new imidazole-bearing compound containing an oxime functionality was synthesized and characterized with different spectroscopic techniques to be used for the preparation of new antifungal agents. The stereochemistry of the oxime double bond was unequivocally determined via the single crystal X-ray technique. The title compound 4 , C 13 H 13 N₃O₃·C₃H₈O, crystallizes in the monoclinic space group P 2₁with a = 9.0963(3) Å, b = 14.7244(6) Å, c = 10.7035(4) Å, β = 94.298 (3)°, V = 1429.57(9) ų, Z = 2. The molecules were packed in the crystal structure by eight intermolecular hydrogen bond interactions. A comprehensive spectral analysis of the title molecule 4 has been performed based on the scaled quantum mechanical (SQM) force field obtained by density-functional theory (DFT) calculations. A molecular docking study illustrated the binding mode of the title compound 4 into its target protein. The preliminary antifungal activity of the title compound 4 was determined using a broth microdilution assay.

Ultrathin solution-processed single crystals of thiophene-phenylene co-oligomers for organic field-effect devices

NASA Astrophysics Data System (ADS)

Glushkova, Anastasia V.; Poimanova, Elena Yu.; Bruevich, Vladimir V.; Luponosov, Yuriy N.; Ponomarenko, Sergei A.; Paraschuk, Dmitry Yu.

2017-08-01

Thiophene-phenylene co-oligomers (TPCO) single crystals are promising materials for organic light-emitting devices, e.g., light-emitting transistors (OLETs), due to their ability to combine high luminescence and efficient charge transport. However, optical confinement in platy single crystals strongly decreases light emission from their top surface degrading the device performance. To avoid optical waveguiding, single crystals thinner than 100 nm would be beneficial. Herein, we report on solution-processed ultrathin single crystals of TPCO and study their charge transport properties. As materials we used 1,4-bis(5'-hexyl-2,2'-bithiophene-5-yl)benzene (DH-TTPTT) and 1,4-bis(5'-decyl-2,2'-bithiophene-5-yl)benzene (DD-TTPTT). The ultrathin single crystals were studied by optical polarization, atomic-force, and transmission electron microscopies, and as active layers in organic field effect transistors (OFET). The OFET hole mobility was increased tenfold for the oligomer with longer alkyl substituents (DD-TTPTT) reaching 0.2 cm2/Vs. Our studies of crystal growth indicate that if the substrate is wetted, it has no significant effect on the crystal growth. We conclude that solution-processed ultrathin TPCO single crystals are a promising platform for organic optoelectronic field-effect devices.

Objectives and layout of a high-resolution x-ray imaging crystal spectrometer for the large helical device.

PubMed

Bitter, M; Hill, K; Gates, D; Monticello, D; Neilson, H; Reiman, A; Roquemore, A L; Morita, S; Goto, M; Yamada, H; Rice, J E

2010-10-01

A high-resolution x-ray imaging crystal spectrometer, whose concept was tested on NSTX and Alcator C-Mod, is being designed for the large helical device (LHD). This instrument will record spatially resolved spectra of helium-like Ar(16+) and will provide ion temperature profiles with spatial and temporal resolutions of <2 cm and ≥10 ms, respectively. The spectrometer layout and instrumental features are largely determined by the magnetic field structure of LHD. The stellarator equilibrium reconstruction codes, STELLOPT and PIES, will be used for the tomographic inversion of the spectral data.

FAST TRACK COMMUNICATION Determination of atomic site susceptibility tensors from neutron diffraction data on polycrystalline samples

NASA Astrophysics Data System (ADS)

Gukasov, A.; Brown, P. J.

2010-12-01

Polarized neutron diffraction can provide information about the atomic site susceptibility tensor χij characterizing the magnetic response of individual atoms to an external magnetic field (Gukasov and Brown 2002 J. Phys.: Condens. Mater. 14 8831). The six independent atomic susceptibility parameters (ASPs) can be determined from polarized neutron flipping ratio measurements on single crystals and visualized as magnetic ellipsoids which are analogous to the thermal ellipsoids obtained from atomic displacement parameters (ADPs). We demonstrate now that the information about local magnetic susceptibility at different magnetic sites in a crystal can also be obtained from polarized and unpolarized neutron diffraction measurements on magnetized powder samples. The validity of the method is illustrated by the results of such measurements on a polycrystalline sample of Tb2Sn2O7.

An Experimental Study of the Effects of A Rotating Magnetic Field on Electrically Conducting Aqueous Solutions

NASA Technical Reports Server (NTRS)

Ramachandran Narayanan; Mazuruk, Konstantin

1998-01-01

The use of a rotating magnetic field for stirring metallic melts has been a commonly adopted practice for a fairly long period. The elegance of the technique stems from its non-intrusive nature and the intense stirring it can produce in an electrically conducting medium. A further application of the method in recent times has been in the area of crystal growth from melts (e.g. germanium). The latter experiments have been mainly research oriented in order to understand the basic physics of the process and to establish norms for optimizing such a technique for the commercial production of crystals. When adapted for crystal growth applications, the rotating magnetic field is used to induce a slow flow or rotation in the melt which in effect significantly curtails temperature field oscillations in the melt. These oscillations are known to cause dopant striations and thereby inhomogeneities in the grown crystal that essentially degrades the crystal quality. The applied field strength is typically of the order of milli-Teslas with a frequency range between 50-400 Hz. In this investigation, we report findings from experiments that explore the feasibility of applying a rotating magnetic field to aqueous salt solutions, that are characterized by conductivities that are several orders of magnitude smaller than semi-conductor melts. The aim is to study the induced magnetic field and consequently the induced flow in such in application. Detailed flow field description obtained through non-intrusive particle displacement tracking will be reported along with an analytical assessment of the results. It is anticipated that the obtained results will facilitate in establishing a parameter range over which the technique can be applied to obtain a desired flow field distribution. This method can find applicability in the growth of crystals from aqueous solutions and give an experimenter another controllable parameter towards improving the quality of the grown crystal.

The use of magnetic fields in vertical Bridgman/Gradient Freeze-type crystal growth

NASA Astrophysics Data System (ADS)

Pätzold, Olf; Niemietz, Kathrin; Lantzsch, Ronny; Galindo, Vladimir; Grants, Ilmars; Bellmann, Martin; Gerbeth, Gunter

2013-03-01

This paper outlines advanced vertical Bridgman/Gradient Freeze techniques with flow control using magnetic fields developed for the growth of semiconductor crystals. Low-temperature flow modelling, as well as laboratory-scaled crystal growth under the influence of rotating, travelling, and static magnetic fields are presented. Experimental and numerical flow modelling demonstrate the potential of the magnetic fields to establish a well-defined flow for tailoring heat and mass transfer in the melt during growth. The results of the growth experiments are discussed with a focus on the influence of a rotating field on the segregation of dopants, the influence of a travelling field on the temperature field and thermal stresses, and the potential of rotating and static fields for a stabilization of the melt flow.

Wide-view transflective liquid crystal display for mobile applications

NASA Astrophysics Data System (ADS)

Kim, Hyang Yul; Ge, Zhibing; Wu, Shin-Tson; Lee, Seung Hee

2007-12-01

A high optical efficiency and wide-view transflective liquid crystal display based on fringe-field switching structure is proposed. The transmissive part has a homogenous liquid crystal (LC) alignment and is driven by a fringe electric field, which exhibits excellent electro-optic characteristics. The reflective part has a hybrid LC alignment with quarter-wave phase retardation and is also driven by a fringe electric field. Consequently, the transmissive and reflective parts have similar gamma curves.

A short review of theoretical and empirical models for characterization of optical materials doped with the transition metal and rare earth ions

NASA Astrophysics Data System (ADS)

Su, P.; Ma, C.-G.; Brik, M. G.; Srivastava, A. M.

2018-05-01

In this paper, a brief retrospective review of the main developments in crystal field theory is provided. We have examined how different crystal field models are applied to solve the problems that arise in the spectroscopy of optically active ions. Attention is focused on the joint application of crystal field and density functional theory (DFT) based models, which takes advantages of strong features of both individual approaches and allows for obtaining a complementary picture of the electronic properties of a doped crystal with impurity energy levels superimposed onto the host band structure.

Broadband continuous-variable entanglement source using a chirped poling nonlinear crystal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, J. S.; Sun, L.; Yu, X. Q.

2010-01-15

Aperiodically poled nonlinear crystal can be used as a broadband continuous-variable entanglement source and has strong stability under perturbations. We study the conversion dynamics of the sum-frequency generation and the quantum correlation of the two pump fields in a chirped-structure nonlinear crystal using the quantum stochastic method. The results show that there exists a frequency window for the pumps where two optical fields can perform efficient upconversion. The two pump fields are demonstrated to be entangled in the window and the chirped-structure crystal can be used as a continuous-variable entanglement source with a broad response bandwidth.

Synthesis, crystal structure determination, thermal and magnetic properties of the new Cu0.73Ni0.27(HSeO3)2 compound

NASA Astrophysics Data System (ADS)

Hentech, I.; Zehani, K.; Kabadou, A.; Ben Salah, A.; Loukil, M.; Bessais, L.

2017-01-01

A novel three-dimensional Cu0.73Ni0.27(HSeO3)2 compound was prepared from an aqueous solution. This compound crystallizes in the monoclinic system with P21/n space group and with the following cell parameters: a=6.4379(3) Å; b=7.3555(3) Å; c=5.7522(3) Å; β=93.4341(1)°; V=271.90(2) Å3 and Z=2. The reported material has been structurally characterized by X-ray powder diffraction and confirmed by scanning electron microscope and energy dispersive spectroscopy (MEB/EDS) analysis. The copper/nickel atom is surrounded by an octahedron coordination of oxygen atoms from sex hydrogenoselenites anions. The presence of (HSeO3)- has been further confirmed by IR spectroscopy and this compound exhibits a phase transition at 356 K, this transition has been detected by differential scanning calorimetry and TG-DTA measurement. The magnetic property of this material was determined. The ferromagnetic ordering is further confirmed by the magnetic field dependence of the magnetization (Hysteresis loop) at 10 K. The substitution of Cu by Ni induces a ferro-paramagnetic transition at T=31 K. Field cooled (FC) and Zero field cooled (ZFC) magnetization measurements under an applied field of 100 Oe in the temperature range of 10-300 K were performed. These measurements have been resulted the blocking temperature (TB) at around 25 K.

Magnetic Control of Convection during Protein Crystallization

NASA Technical Reports Server (NTRS)

Ramachandran, N.; Leslie, F. W.

2004-01-01

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 bio-chemists, 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 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", we have been able to dramatically affect the movement and distribution of macromolecules in the fluid, and thus their transport, f o d o n 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. We postulate that limited convection in a magnetic field will provide the environment for the growth of high quality crystals. The approach exploits the variation of fluid magnetic susceptibility with counteracts on for this purpose and the convective damping is realized by appropriately positioning the crystal growth cell so that the magnetic susceptibility force counteract terrestrial gravity. The genera1 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. The paper will report on the experimental results using paramagentic salts and solutions in magnetic fields and compare them to analyticalprctions.

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.

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.

Electrically tunable zero dispersion wavelengths in photonic crystal fibers filled with a dual frequency addressable liquid crystal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wahle, Markus, E-mail: markus.wahle@uni-paderborn.de; Kitzerow, Heinz-Siegfried

2015-11-16

We present a liquid crystal (LC) infiltrated photonic crystal fiber, which enables the electrical tuning of the position of zero dispersion wavelengths (ZDWs). A dual frequency addressable liquid crystal is aligned perpendicular on the inclusion walls of a photonic crystal fiber, which results in an escaped radial director field. The orientation of the LC is controlled by applying an external electric field. Due to the high index of the liquid crystal the fiber guides light by the photonic band gap effect. Multiple ZDWs exist in the visible and near infrared. The positions of the ZDWs can be either blue ormore » red shifted depending on the frequency of the applied voltage.« less

Electronic transport properties of single-crystal bismuth nanowire arrays

NASA Astrophysics Data System (ADS)

Zhang, Zhibo; Sun, Xiangzhong; Dresselhaus, M. S.; Ying, Jackie Y.; Heremans, J.

2000-02-01

We present here a detailed study of the electrical transport properties of single-crystal bismuth nanowire arrays embedded in a dielectric matrix. Measurements of the resistance of Bi nanowire arrays with different wire diameters (60-110 nm) have been carried out over a wide range of temperatures (2.0-300 K) and magnetic fields (0-5.4 T). The transport properties of a heavily Te-doped Bi nanowire array have also been studied. At low temperatures, we show that the wire boundary scattering is the dominant scattering process for carriers in the undoped single-crystal Bi nanowires, while boundary scattering is less important for a heavily Te-doped sample, consistent with general theoretical considerations. The temperature dependences of the zero-field resistivity and of the longitudinal magneto-coefficient of the Bi nanowires were also studied and were found to be sensitive to the wire diameter. The quantum confinement of carriers is believed to play an important role in determining the overall temperature dependence of the zero-field resistivity. Theoretical considerations of the quantum confinement effects on the electronic band structure and on the transport properties of Bi nanowires are discussed. Despite the evidence for localization effects and diffusive electron interactions at low temperatures (T<=4.0 K), localization effects are not the dominant mechanisms affecting the resistivity or the magnetoresistance in the temperature range of this study.

Petrology and Physics of Magma Ocean Crystallization

NASA Technical Reports Server (NTRS)

Elkins-Tanton, Linda T.; Parmentier, E. M.; Hess, P. C.

2003-01-01

Early Mars is thought to have been melted significantly by the conversion of kinetic energy to heat during accretion of planetesimals. The processes of solidification of a magma ocean determine initial planetary compositional differentiation and the stability of the resulting mantle density profile. The stability and compositional heterogeneity of the mantle have significance for magmatic source regions, convective instability, and magnetic field generation. Significant progress on the dynamical problem of magma ocean crystallization has been made by a number of workers. The work done under the 2003 MFRP grant further explored the implications of early physical processes on compositional heterogeneity in Mars. Our goals were to connect early physical processes in Mars evolution with the present planet's most ancient observable characteristics, including the early, strong magnetic field, the crustal dichotomy, and the compositional characteristics of the SNC meteorite's source regions as well as their formation as isotopically distinct compositions early in Mars's evolution. We had already established a possible relationship between the major element compositions of SNC meteorite sources and processes of Martian magma ocean crystallization and overturn, and under this grant extended the analysis to the crucial trace element and isotopic SNC signatures. This study then demonstrated the ability to create and end the magnetic field through magma ocean cumulate overturn and subsequent cooling, as well as the feasibility of creating a compositionally- and volumetrically-consistent crustal dichotomy through mode-1 overturn and simultaneous adiabatic melting.

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

NASA Astrophysics Data System (ADS)

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

2009-11-01

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

Spin-orbit qubits of rare-earth-metal ions in axially symmetric crystal fields.

PubMed

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

2009-11-27

Contrary to the well-known spin qubits, rare-earth-metal qubits are characterized by a strong influence of crystal field due to large spin-orbit coupling. At low temperature and in the presence of resonance microwaves, it is the magnetic moment of the crystal-field ground state which nutates (for several micros) and the Rabi frequency Omega(R) is anisotropic. Here, we present a study of the variations of Omega(R)(H(0)) with the magnitude and direction of the static magnetic field H(0) for the odd 167Er isotope in a single crystal CaWO(4):Er(3+). The hyperfine interactions split the Omega(R)(H(0)) curve into eight different curves which are fitted numerically and described analytically. These "spin-orbit qubits" should allow detailed studies of decoherence mechanisms which become relevant at high temperature and open new ways for qubit addressing using properly oriented magnetic fields.

Thermodynamics around the first-order ferromagnetic phase transition of Fe2P single crystals

NASA Astrophysics Data System (ADS)

Hudl, M.; Campanini, D.; Caron, L.; Höglin, V.; Sahlberg, M.; Nordblad, P.; Rydh, A.

2014-10-01

The specific heat and thermodynamics of Fe2P single crystals around the first-order paramagnetic to ferromagnetic (FM) phase transition at TC≃217 K are empirically investigated. The magnitude and direction of the magnetic field relative to the crystal axes govern the derived H -T phase diagram. Strikingly different phase contours are obtained for fields applied parallel and perpendicular to the c axis of the crystal. In parallel fields, the FM state is stabilized, while in perpendicular fields the phase transition is split into two sections, with an intermediate FM phase where there is no spontaneous magnetization along the c axis. The zero-field transition displays a textbook example of a first-order transition with different phase stability limits on heating and cooling. The results have special significance since Fe2P is the parent material to a family of compounds with outstanding magnetocaloric properties.

Coeval Formation of Zircon Megacrysts and Host Magmas in the Eifel Volcanic Field (Germany) Based on High Spatial Resolution Petrochronology

NASA Astrophysics Data System (ADS)

Schmitt, Axel; Klitzke, Malte; Gerdes, Axel; Ludwig, Thomas; Schäfer, Christof

2017-04-01

Zircon megacrysts (approx. 0.5-6 mm in diameter) from the Quaternary West and East Eifel volcanic fields, Germany, occur as euhedral crystals in porous K-spar rich plutonic ejecta clasts, and as partially resorbed xenocrysts in tephrite lava. Their relation to the host volcanic rocks has remained contentious because the dominantly basanitic to phonolitic magma compositions in the Eifel are typically zircon undersaturated. We carried out a detailed microanalytical study of zircon megacrysts from seven locations (Emmelberg and Rockeskyll in the West Eifel; Bellerberg, Laacher See, Mendig, Rieden, and Wehr in the East Eifel). Crystals were embedded in epoxy, sectioned to expose interiors through grinding with abrasives, diamond-polished, and mapped by optical microscopy, backscattered electron, and cathodoluminescence imaging. Subsequently, isotope-specific analysis using secondary ionization mass spectrometry (SIMS) and laser ablation inductively coupled mass spectrometry (LA-ICP-MS) was carried out placing 100 correlated spots on 20 selected crystals. Concordant U-Th disequilibrium and U-Pb ages determined by SIMS are between ca. 430 ka (Rieden) and 170 ka (Mendig) and indicate that the megacryst zircons crystallized almost always briefly before eruption. A significant gap between zircon megacryst crystallization (ca. 230 ka) and eruption (ca. 45 ka) ages was only detected for the Emmelberg location. SIMS trace element abundances (e.g., rare earth elements) vary by orders-of-magnitude and correlate with domain boundaries visible in cathodoluminescence; trace element patterns match those reported for zircon from syenitic origins. Isotopic compositions are homogeneous within individual crystals, but show some heterogeneity between different crystals from the same locality. Average isotopic values (δ18O SMOW = +5.3±0.6 ‰ by SIMS; present-day ɛHf = +1.7±2.5 ‰ by LA-ICP-MS; 1 standard deviation), however, are consistent with source magmas being dominantly mantle-derived. The porous structure and relatively small grain size of the host enclaves suggests that they originated from subvolcanic intrusions. Moreover, the preservation of zircon in hot, zircon undersaturated magmas requires brief residence times. Zircon megacrysts thus appear to have crystallized in highly differentiated magmas or nearly solidified intrusions from which crystals or rock aggregates were incorporated into more primitive magmas en route to surface. This implies that chemical signatures of apparently primitive magmas in basaltic volcanic fields can be modified by interaction with evolved melts that differentiated prior to eruption, mostly within an interval less than the ca. 10-25 ka uncertainty range of the radiometric ages.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, D.

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 nematicmore » 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.« less

Phase-field study of grain boundary tracking behavior in crack-seal microstructures

NASA Astrophysics Data System (ADS)

Ankit, Kumar; Nestler, Britta; Selzer, Michael; Reichardt, Mathias

2013-12-01

In order to address the growth of crystals in veins, a multiphase-field model is used to capture the dynamics of crystals precipitating from a super-saturated solution. To gain a detailed understanding of the polycrystal growth phenomena in veins, we investigate the influence of various boundary conditions on crystal growth. In particular, we analyze the formation of vein microstructures resulting from the free growth of crystals as well as crack-sealing processes. We define the crystal symmetry by considering the anisotropy in surface energy to simulate crystals with flat facets and sharp corners. The resulting growth competition of crystals with different orientations is studied to deduce a consistent orientation selection rule in the free-growth regime. Using crack-sealing simulations, we correlate the grain boundary tracking behavior depending on the relative rate of crack opening, opening trajectory, initial grain size, and wall roughness. Further, we illustrate how these parameters induce the microstructural transition between blocky (crystals growing anisotropically) to fibrous morphology (isotropic) and formation of grain boundaries. The phase-field simulations of crystals in the free-growth regime (in 2D and 3D) indicate that the growth or consumption of a crystal is dependent on the orientation difference with neighboring crystals. The crack-sealing simulation results (in 2D and 3D) reveal that crystals grow isotropically and grain boundaries track the opening trajectory if the wall roughness is high, opening increments are small, and crystals touch the wall before the next crack increment starts. Further, we find that within the complete crack-seal regime, anisotropy in surface energy results in the formation of curved/oscillating grain boundaries (instead of straight) when the crack-opening velocity is increased and wall roughness is not sufficiently high. Additionally, the overall capability of phase-field method to simulate large-scale polycrystal growth in veins (in 3D) is demonstrated enumerating the main advantages of adopting the novel approach.

A simple proof of orientability in colored group field theory.

PubMed

Caravelli, Francesco

2012-01-01

Group field theory is an emerging field at the boundary between Quantum Gravity, Statistical Mechanics and Quantum Field Theory and provides a path integral for the gluing of n-simplices. Colored group field theory has been introduced in order to improve the renormalizability of the theory and associates colors to the faces of the simplices. The theory of crystallizations is instead a field at the boundary between graph theory and combinatorial topology and deals with n-simplices as colored graphs. Several techniques have been introduced in order to study the topology of the pseudo-manifold associated to the colored graph. Although of the similarity between colored group field theory and the theory of crystallizations, the connection between the two fields has never been made explicit. In this short note we use results from the theory of crystallizations to prove that color in group field theories guarantees orientability of the piecewise linear pseudo-manifolds associated to each graph generated perturbatively. Colored group field theories generate orientable pseudo-manifolds. The origin of orientability is the presence of two interaction vertices in the action of colored group field theories. In order to obtain the result, we made the connection between the theory of crystallizations and colored group field theory.

Antiferromagnetic coupling between rare earth ions and semiquinones in a series of 1:1 complexes.

PubMed

Caneschi, Andrea; Dei, Andrea; Gatteschi, Dante; Poussereau, Sandrine; Sorace, Lorenzo

2004-04-07

We use the strategy of diamagnetic substitution for obtaining information on the crystal field effects in paramagnetic rare earth ions using the homologous series of compounds with the diamagnetic tropolonato ligand, Ln(Trp)(HBPz(3))(2), and the paramagnetic semiquinone ligand, Ln(DTBSQ)(HBPz(3))(2), (DTBSQ = 3,5-di-tert-butylsemiquinonato, Trp = tropolonate, HBPz(3)= hydrotrispyrazolylborate) for Ln = Sm(iii), Eu(iii), Gd(iii), Tb(iii), Dy(iii), Ho(iii), Er(iii) or Yb(iii). The X-ray crystal structure of a new form of tropolonate derivative is presented, which shows, as expected, a marked similarity with the structure of the semiquinonate derivative. The Ln(Trp)(HBPz(3))(2) derivatives were then used as a reference for the qualitative determination of crystal field effects in the exchange coupled semiquinone derivatives. Through magnetisation and susceptibility measurements this empirical diamagnetic substitution method evidenced for Er(iii), Tb(iii), Dy(iii) and Yb(iii) derivatives a dominating antiferromagnetic coupling. The increased antiferromagnetic contribution compared to other radical-rare earth metal complexes formed by nitronyl nitroxide ligands may be related to the increased donor strength of the semiquinone ligand.

Thermodynamics of the Electric Field Induced Orientation of Nematic Droplet/Polymer Films

NASA Astrophysics Data System (ADS)

Drzaic, Paul S.

1989-07-01

Films consisting of micron-sized nematic liquid crystal droplets dispersed in a polymer matrix (NCAP) represent an important new class of electro-optical devices. These films strongly scatter light in the tm powered state, but achieve a high degree of clarity when an electric field is applied. In this report we describe the aspects of liquid crystal and polymer composition that control the magnitude of the electric field required to orient the nematic droplets. The droplet shape is found to be an important factor in the electro-optical response of these films. In films deposited from aqueous solutions the nematic cavities in the film are usually oblate in nature, with the short axis perpendicular to the film plane. The nematic, which adopts a bipolar configuration within the cavity, is preferentially aligned so that each droplet's symmetry axis is aligned parallel to the film plane in the rest state, but rotates to lie parallel with the field in the powered state. Capacitance data is presented which supports this picture. It is shown that the nematic droplet shape can be a major factor in determining the thermodynamics of droplet orientation.

Low-field anomalous magnetic phase in the kagome-lattice shandite C o3S n2S2

NASA Astrophysics Data System (ADS)

Kassem, Mohamed A.; Tabata, Yoshikazu; Waki, Takeshi; Nakamura, Hiroyuki

2017-07-01

The magnetization process of single crystals of the metallic kagome ferromagnet C o3S n2S2 was carefully measured via magnetization and ac susceptibility. Field-dependent anomalous transitions observed in low fields indicate the presence of an unconventional magnetic phase just below the Curie temperature, TC. The magnetic phase diagrams in low magnetic fields along different crystallographic directions were determined for the first time. The magnetic relaxation measurements at various frequencies covering five orders of magnitude from 0.01 to 1000 Hz indicate markedly slow spin dynamics only in the anomalous phase with characteristic relaxation times longer than 10 s.

Microscopic study of crystal growth in cryopreservation agent solutions and water.

PubMed

Tao, Le-Ren; Hua, Tse-Chao

2002-10-01

Ice formation inside or outside cells during cryopreservation is evidently the main factor of cryoinjury to cells. In the study described here a high voltage DC electric field and a cryomicroscopic stage were used to test DMSO and NaCl solutions under electric field strengths ranging from 83 kV/m to 320 kV/m. Dendritic ice crystals became asymmetric when the electric field was activated. This change in the ice crystal shape was more pronounced in the ionic NaCl solution. In addition, ice growth of distilled water without an electric field was tested under different cooling rates.

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.

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

Strong anisotropy of electric field effects on uniaxial relaxor ferroelectric Sr0.75Ba0.25Nb2O6 crystals proved by acoustic emission

NASA Astrophysics Data System (ADS)

Dul'kin, E.; Kojima, S.; Roth, M.

2018-01-01

[001] oriented Sr0.75Ba0.25Nb2O6 uniaxial relaxor ferroelectric crystals have been studied by acoustic emission in the temperature range of 20÷200 °C and under an external electric field up to 1 kV/cm. Under the application of an electric field the temperature of a dielectric maximum exhibits a nontrivial behavior: it remains constant at first, secondly steep decreases down to some threshold field, and thirdly starts to increase as a field enhances, whereas the same temperature of a dielectric maximum under a bias electric field to [100] oriented Sr0.75Ba0.25Nb2O6 crystals exhibits a smoothed minimum before the start to increase as a field enhances (E. Dul'kin et al., J. Appl. Phys. 110, 044106 (2011)). Such a difference of electric field effects in c- and a-cut crystals is discussed from the viewpoint of random-bond-random-field model of relaxor ferroelectrics. By the comparison between experimental and theoretical data, a dipole moment of the PNR was estimated to be 0.1 (C cm).

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.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

2015-05-31

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

Measurement of Microscopic Growth Rates in Float-Zone Silicon Crystals

NASA Technical Reports Server (NTRS)

Dold, P.; Schweizer, M.; Benz, K. W.; Rose, M. Franklin (Technical Monitor)

2001-01-01

Time dependent convective flows during crystal growth of doped semiconductors lead to fluctuations of the composition, so called dopant striations. In general, it is difficult to decide which is the main mechanism for the generation of these striations, it might be either the fluctuation of the concentration field in the melt and the extent of the solute boundary layer ahead of the solid-liquid interface or a variation of the growth velocity. Direct access to the concentration field is rather complicated to achieve, especially considering the high process temperature and the chemical activity of liquid silicon. The contribution of growth rate fluctuations to the formation of compositional fluctuations can be determined by measuring microscopic growth rates. The classical method of current pulses requires electrical feed-throughs and good electrical contacts, both are critical issues for the growth of high purity silicon crystals. Using a radiation based heating system, the heating power can be modulated very fast and effectively. We added to the normal heater power a sinusoidal off-set in the frequency range of 1 to 10 Hz, generating a narrow spaced weak rippling in the grown crystals which are superposed to the dopant striations caused by natural and by thermocapillary convection. The pulling speed was varied between 1 and 4mm/min. The microscope images of etched crystals slices have been analyzed by peak-search algorithms (measuring the spacing between each artificially induced marker) and by FFT. Performing growth experiments under a time-dependent flow regime, fluctuations of the microscopic growth velocity of Delta(v)/v(sub average) up to 50% have been measured. Damping the time-dependent convection by the use of an axial, static magnetic field of 500mT, the microscopic growth rate became constant within the resolution limit of this method. The results will be discussed using analytical methods for the calculation of microscopic growth velocity and by comparing them with measurements of temperature fluctuations in the melt during growth experiments itself.

Neutron spectroscopic study of crystal field excitations in Tb 2Ti 2O 7 and Tb 2Sn 2O 7

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, J.; Fritsch, Katharina; Hao, Z.

2014-04-01

We present time-of-flight inelastic neutron scattering measurements at low temperature on powder samples of the magnetic pyrochlore oxides Tb 2Ti 2O 7 and Tb 2Sn 2O 7. These two materials possess related, but different ground states, with Tb 2Sn 2O 7 displaying "soft" spin ice order below T N approx 0.87 K, while Tb 2Ti 2O 7 enters a hybrid, glassy-spin ice state below T g approx 0.2 K. Our neutron measurements, performed at T = 1.5 K and 30 K, probe the crystal field states associated with the J = 6 states of Tb 3+ within the appropriate Fd3-barmmore » pyrochlore environment. These crystal field states determine the size and anisotropy of the Tb 3+ magnetic moment in each material's ground state, information that is an essential starting point for any description of the low temperature phase behavior and spin dynamics in Tb 2Ti 2O 7 and Tb 2Sn 2O 7. While these two materials have much in common, the cubic stanate lattice is expanded compared to the cubic titanate lattice. As our measurements show, this translates into a factor of approx 2 increase in the crystal field bandwidth of the 2J +1 = 13 states in Tb 2Ti 2O 7 compared with Tb 2Sn 2O 7. Our results are consistent with previous measurements on crystal field states in Tb 2Sn 2O 7, wherein the ground state doublet corresponds primarily to mJ = {vert_bar}+-5> and the first excited state doublet to mJ = {vert_bar}+-4>. In contrast, our results on Tb 2Ti 2O 7 differ markedly from earlier studies, showing that the ground state doublet corresponds to a significant mixture of mJ = {vert_bar}+-5>, mJ = {vert_bar}+-4> and mJ = {vert_bar}+-2>, while the first excited state doublet corresponds to a mixture of mJ = {vert_bar}+-4>, mJ = {vert_bar}+-5> and mJ = {vert_bar}+-1>. We discuss these results in the context of proposed mechanisms for the failure of Tb 2Ti 2O 7 to develop conventional long range order down to 50 mK.« less

Formation of Fluorohydroxyapatite with Silver Diamine Fluoride

PubMed Central

Mei, M.L.; Nudelman, F.; Marzec, B.; Walker, J.M.; Lo, E.C.M.; Walls, A.W.; Chu, C.H.

2017-01-01

Silver diamine fluoride (SDF) is found to promote remineralization and harden the carious lesion. Hydroxyapatite crystallization is a crucial process in remineralization; however, the role of SDF in crystal formation is unknown. We designed an in vitro experiment with calcium phosphate with different SDF concentrations (0.38, 1.52, 2.66, 3.80 mg/mL) to investigate the effect of this additive on the nucleation and growth of apatite crystals. Two control groups were also prepared—calcium phosphate (CaCl2·2H2O + K2HPO4 in buffer solution) and SDF (Ag[NH3]2F in buffer solution). After incubation at 37 oC for 24 h, the shape and organization of the crystals were examined by bright-field transmission electron microscopy and electron diffraction. Unit cell parameters of the obtained crystals were determined with powder X-ray diffraction. The vibrational and rotational modes of phosphate groups were analyzed with Raman microscopy. The transmission electron microscopy and selected-area electron diffraction confirmed that all solids precipitated within the SDF groups were crystalline and that there was a positive correlation between the increased percentage of crystal size and the concentration of SDF. The powder X-ray diffraction patterns indicated that fluorohydroxyapatite and silver chloride were formed in all the SDF groups. Compared with calcium phosphate control, a contraction of the unit cell in the a-direction but not the c-direction in SDF groups was revealed, which suggested that small localized fluoride anions substituted the hydroxyl anions in hydroxyapatite crystals. This was further evidenced by the Raman spectra, which displayed up-field shift of the phosphate band in all the SDF groups and confirmed that the chemical environment of the phosphate functionalities indeed changed. The results suggested that SDF reacted with calcium and phosphate ions and produced fluorohydroxyapatite. This preferential precipitation of fluorohydroxyapatite with reduced solubility could be one of the main factors for arrest of caries lesions treated with SDF. PMID:28521107

Macrosegregation of GeSi Alloys Grown in a Static Magnetic Field

NASA Technical Reports Server (NTRS)

Ritter, T. M.; Volz, M. P.; Cobb, S. D.; Szofran, F. R.

1999-01-01

Axial and radial macrosegregation profiles have been determined for GeSi alloy crystals grown by the vertical Bridgman technique. An axial 5 Tesla magnetic field was applied to several samples during growth to decrease the melt velocities by means of the Lorentz force. Compositions were measured with either energy dispersive X-ray spectroscopy (EDS) on a scanning electron microscope (SEM) or by wavelength dispersive X-ray spectroscopy (WDS) on a microprobe. The crystals were processed in graphite, hot-pressed boron nitride (BN), and pyrolytic boron nitride (PBN) ampoules, which produced various solid-liquid interface shapes during solidification. Those samples grown in a graphite ampoule exhibited radial profiles consistent with a highly concave interface and axial profiles indicative of complete mixing in the melt. The samples grown in BN and PBN ampoules had less radial variation. Axial macrosegregation profiles of these samples fell between the predictions for a completely mixed melt and one where solute transport is dominated by diffusion. Possible explanations for the apparent insufficiency of the magnetic field to achieve diffusion controlled growth conditions are discussed.

Low-frequency Raman fingerprints of two-dimensional metal dichalcogenide layer stacking configurations

DOE PAGES

Puretzky, Alexander A.; Liang, Liangbo; Li, Xufan; ...

2015-05-12

In this study, stacked monolayers of two-dimensional (2D) materials present a new class of hybrid materials with tunable optoelectronic properties determined by their stacking orientation, order, and atomic registry. Atomic-resolution Z-contrast scanning transmission electron microscopy (AR-Z-STEM) and electron energy loss spectroscopy (EELS) can be used to determine the exact atomic registration between different layers, in few-layer 2D stacks, however fast optical characterization techniques are essential for rapid development of the field. Here, using two- and three-layer MoSe 2 and WSe 2 crystals synthesized by chemical vapor deposition we show that the generally unexplored low frequency (LF) Raman modes (< 50more » cm -1) that originate from interlayer vibrations can serve as fingerprints to characterize not only the number of layers, but also their stacking configurations. Ab initio calculations and group theory analysis corroborate the experimental assignments determined by AR-Z-STEM and show that the calculated LF mode fingerprints are related to the 2D crystal symmetries.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Puretzky, Alexander A.; Liang, Liangbo; Li, Xufan

In this study, stacked monolayers of two-dimensional (2D) materials present a new class of hybrid materials with tunable optoelectronic properties determined by their stacking orientation, order, and atomic registry. Atomic-resolution Z-contrast scanning transmission electron microscopy (AR-Z-STEM) and electron energy loss spectroscopy (EELS) can be used to determine the exact atomic registration between different layers, in few-layer 2D stacks, however fast optical characterization techniques are essential for rapid development of the field. Here, using two- and three-layer MoSe 2 and WSe 2 crystals synthesized by chemical vapor deposition we show that the generally unexplored low frequency (LF) Raman modes (< 50more » cm -1) that originate from interlayer vibrations can serve as fingerprints to characterize not only the number of layers, but also their stacking configurations. Ab initio calculations and group theory analysis corroborate the experimental assignments determined by AR-Z-STEM and show that the calculated LF mode fingerprints are related to the 2D crystal symmetries.« less

Crystal structure, chemical composition, and extended defects of the high-Tc (Bi,Pb)2Sr2Ca(n)-1CunO4 + 2n + delta compounds.

PubMed

Eibl, O

1995-02-15

This paper summarizes results obtained by high-resolution transmission electron microscopy on the crystal structure and microstructure of the (Bi,Pb)2Sr2Ca(n)-1CunO4 + 2n + delta high-Tc superconducting oxides. The experimental basis for the work presented here are high-resolution structure images obtained at ultra-thin (3 nm) areas of carefully prepared transmission electron microscope (TEM) samples. The analysis was carried out on a 400 kV TEM equipped with a pole piece yielding 0.17 nm point-to-point resolution. From the images obtained the projected crystal potential of the cations can be extracted directly, as confirmed by detailed image simulation. Structural analysis of the oxygen sublattice remains an unsolved problem by high-resolution TEM (HRTEM), mainly because of the small scattering factors, and thus the contribution of the oxygen sublattice to the image contrast is small. The (BiPb)2Sr2Ca(n)-1CunO4 + 2n + delta phases are modulated structures that can be understood as an average structure plus a superimposed displacement field. The crystal structure consists of BiO double layers and perovskite-type cuboids (containing Sr, Ca, Cu, and O), which are sandwiched between the BiO double layers. The displacement field can be directly analyzed by HRTEM, and the largest displacement amplitudes of 70 pm were determined for the Bi atoms in the n = 1 compound. The chemical composition of the n = 2 and n = 3 compounds was determined by EDX in the TEM for the cation sublattice. A significant (Ca + Sr) deficiency (approximately 10%) with respect to Cu was found. The (Sr + Ca)/Cu mole fraction ratio was 1.31 for the Bi-2212 phase and 1.14 for the Bi(Pb)-2223 phase. The oxygen content cannot be determined by EDX in the TEM with the accuracy necessary for a correlation with electrical and superconducting properties. The defect structure present in these materials, that is, intergrown lamellae with different crystal structures and equal or different chemical compositions, stacking faults, and grain boundaries, is summarized. The importance of grain boundaries for understanding and improving superconducting properties is emphasized.

Transport properties of Cu-doped bismuth selenide single crystals at high magnetic fields up to 60 Tesla: Shubnikov-de Haas oscillations and π-Berry phase

NASA Astrophysics Data System (ADS)

Romanova, Taisiia A.; Knyazev, Dmitry A.; Wang, Zhaosheng; Sadakov, Andrey V.; Prudkoglyad, Valery A.

2018-05-01

We report Shubnikov-de Haas (SdH) and Hall oscillations in Cu-doped high quality bismuth selenide single crystals. To increase the accuracy of Berry phase determination by means of the of the SdH oscillations phase analysis we present a study of n-type samples with bulk carrier density n ∼1019 -1020cm-3 at high magnetic field up to 60 Tesla. In particular, Landau level fan diagram starting from the value of the Landau index N = 4 was plotted. Thus, from our data we found π-Berry phase that directly indicates the Dirac nature of the carriers in three-dimensional topological insulator (3D TI) based on Cu-doped bismuth selenide. We argued that in our samples the magnetotransport is determined by a general group of carriers that exhibit quasi-two-dimensional (2D) behaviour and are characterized by topological π-Berry phase. Along with the main contribution to the conductivity the presence of a small group of bulk carriers was registered. For 3D-pocket Berry phase was identified as zero, which is a characteristic of trivial metallic states.

The Fano-type transmission and field enhancement in heterostructures composed of epsilon-near-zero materials and truncated photonic crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Zhi-fang; Jiang, Hai-tao, E-mail: davies2000@163.com, E-mail: jiang-haitao@tongji.edu.cn; Li, Yun-hui

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.

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.

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.

Flow-Directed Crystallization for Printed Electronics.

PubMed

Qu, Ge; Kwok, Justin J; Diao, Ying

2016-12-20

The solution printability of organic semiconductors (OSCs) represents a distinct advantage for materials processing, enabling low-cost, high-throughput, and energy-efficient manufacturing with new form factors that are flexible, stretchable, and transparent. While the electronic performance of OSCs is not comparable to that of crystalline silicon, the solution processability of OSCs allows them to complement silicon by tackling challenging aspects for conventional photolithography, such as large-area electronics manufacturing. Despite this, controlling the highly nonequilibrium morphology evolution during OSC printing remains a challenge, hindering the achievement of high electronic device performance and the elucidation of structure-property relationships. Many elegant morphological control methodologies have been developed in recent years including molecular design and novel processing approaches, but few have utilized fluid flow to control morphology in OSC thin films. In this Account, we discuss flow-directed crystallization as an effective strategy for controlling the crystallization kinetics during printing of small molecule and polymer semiconductors. Introducing the concept of flow-directed crystallization to the field of printed electronics is inspired by recent advances in pharmaceutical manufacturing and flow processing of flexible-chain polymers. Although flow-induced crystallization is well studied in these areas, previous findings may not apply directly to the field of printed electronics where the molecular structures (i.e., rigid π-conjugated backbone decorated with flexible side chains) and the intermolecular interactions (i.e., π-π interactions, quadrupole interactions) of OSCs differ substantially from those of pharmaceuticals or flexible-chain polymers. Another critical difference is the important role of solvent evaporation in open systems, which defines the flow characteristics and determines the crystallization kinetics and pathways. In other words, flow-induced crystallization is intimately coupled with the mass transport processes driven by solvent evaporation during printing. In this Account, we will highlight these distinctions of flow-directed crystallization for printed electronics. In the context of solution printing of OSCs, the key issue that flow-directed crystallization addresses is the kinetics mismatch between crystallization and various transport processes during printing. We show that engineering fluid flows can tune the kinetics of OSC crystallization by expediting the nucleation and crystal growth processes, significantly enhancing thin film morphology and device performance. For small molecule semiconductors, nucleation can be enhanced and patterned by directing the evaporative flux via contact line engineering, and defective crystal growth can be alleviated by enhancing mass transport to yield significantly improved coherence length and reduced grain boundaries. For conjugated polymers, extensional and shear flow can expedite nucleation through flow-induced conformation change, facilitating the control of microphase separation, degree of crystallinity, domain alignment, and percolation. Although the nascent concept of flow-directed solution printing has not yet been widely adopted in the field of printed electronics, we anticipate that it can serve as a platform technology in the near future for improving device performance and for systematically tuning thin film morphology to construct structure-property relationships. From a fundamental perspective, it is imperative to develop a better understanding of the effects of fluid flow and mass transport on OSC crystallization as these processes are ubiquitous across all solution processing techniques and can critically impact charge transport properties.

Harmonic field in knotted space

NASA Astrophysics Data System (ADS)

Duan, Xiuqing; Yao, Zhenwei

2018-04-01

Knotted fields enrich a variety of physical phenomena, ranging from fluid flows, electromagnetic fields, to textures of ordered media. Maxwell's electrostatic equations, whose vacuum solution is mathematically known as a harmonic field, provide an ideal setting to explore the role of domain topology in determining physical fields in confined space. In this work, we show the uniqueness of a harmonic field in knotted tubes, and reduce the construction of a harmonic field to a Neumann boundary value problem. By analyzing the harmonic field in typical knotted tubes, we identify the torsion driven transition from bipolar to vortex patterns. We also analogously extend our discussion to the organization of liquid crystal textures in knotted tubes. These results further our understanding about the general role of topology in shaping a physical field in confined space, and may find applications in the control of physical fields by manipulation of surface topology.

Zero-field-cooled/field-cooled magnetization study of Dendrimer model

NASA Astrophysics Data System (ADS)

Arejdal, M.; Bahmad, L.; Benyoussef, A.

2017-01-01

Being motivated by Dendrimer model with mixed spins σ=3 and S=7/2, we investigated the magnetic nanoparticle system in this study. We analyzed and discussed the ground-state phase diagrams and the stable phases. Then, we elaborated and explained the magnetic properties of the system by using Monte Carlo Simulations (MCS) in the framework of the Ising model. In this way, we determined the blocking temperature, which is deduced through studying the partial-total magnetization and susceptibility as a function of the temperature, and we established the effects of both the exchange coupling interaction and the crystal field on the hysteresis loop.

Suppression of Dyakonov-Perel Spin Relaxation in High-Mobility n-GaAs

NASA Astrophysics Data System (ADS)

Dzhioev, R. I.; Kavokin, K. V.; Korenev, V. L.; Lazarev, M. V.; Poletaev, N. K.; Zakharchenya, B. P.; Stinaff, E. A.; Gammon, D.; Bracker, A. S.; Ware, M. E.

2004-11-01

We report a large and unexpected suppression of the free electron spin-relaxation in lightly doped n-GaAs bulk crystals. The spin-relaxation rate shows a weak mobility dependence and saturates at a level 30 times less than that predicted by the Dyakonov-Perel theory. The dynamics of the spin-orbit field differs substantially from the usual scheme: although all the experimental data can be self-consistently interpreted as a precessional spin-relaxation induced by a random spin-orbit field, the correlation time of this random field, surprisingly, is much shorter than, and is independent of, the momentum relaxation time determined from transport measurements.

Suppression of Dyakonov-Perel spin relaxation in high-mobility n-GaAs.

PubMed

Dzhioev, R I; Kavokin, K V; Korenev, V L; Lazarev, M V; Poletaev, N K; Zakharchenya, B P; Stinaff, E A; Gammon, D; Bracker, A S; Ware, M E

2004-11-19

We report a large and unexpected suppression of the free electron spin-relaxation in lightly doped n-GaAs bulk crystals. The spin-relaxation rate shows a weak mobility dependence and saturates at a level 30 times less than that predicted by the Dyakonov-Perel theory. The dynamics of the spin-orbit field differs substantially from the usual scheme: although all the experimental data can be self-consistently interpreted as a precessional spin-relaxation induced by a random spin-orbit field, the correlation time of this random field, surprisingly, is much shorter than, and is independent of, the momentum relaxation time determined from transport measurements.

Transformation from an easy-plane to an easy-axis antiferromagnetic structure in the mixed rare-earth ferroborates Pr x Y1-x Fe3(BO3)4: magnetic properties and crystal field calculations.

PubMed

Pankrats, A I; Demidov, A A; Ritter, C; Velikanov, D A; Semenov, S V; Tugarinov, V I; Temerov, V L; Gudim, I A

2016-10-05

The magnetic structure of the mixed rare-earth system Pr x Y1-x Fe3(BO3)4 (x  =  0.75, 0.67, 0.55, 0.45, 0.25) was studied via magnetic and resonance measurements. These data evidence the successive spin reorientation from the easy-axis antiferromagnetic structure formed in PrFe3(BO3)4 to the easy-plane one of YFe3(BO3)4 associated with the weakening of the magnetic anisotropy of the Pr subsystem due to its diamagnetic dilution by nonmagnetic Y. This reorientation occurs through the formation of an inclined magnetic structure, as was confirmed by our previous neutron research in the range of x  =  0.67 ÷ 0.45. In the compounds with x  =  0.75 and 0.67 whose magnetic structure is close to the easy-axis one, a two-step spin reorientation takes place in the magnetic field H||c. Such a peculiarity is explained by the formation of an interjacent inclined magnetic structure with magnetic moments of Fe ions located closer to the basal plane than in the initial state, with these intermediate states remaining stable in some ranges of the magnetic field. An approach based on a crystal field model for the Pr(3+) ion and the molecular-field approximation is used to describe the magnetic characteristics of the system Pr x Y1-x Fe3(BO3)4. With the parameters of the d-d and f-d exchange interactions, of the magnetic anisotropy of the iron subsystem and of the crystal field parameters of praseodymium thus determined, it is possible to achieve a good agreement between the experimental and calculated temperature and field dependences of the magnetization curves (up to 90 kOe) and magnetic susceptibilities (2-300 K).

Probing periodic potential of crystals via strong-field re-scattering

NASA Astrophysics Data System (ADS)

You, Yong Sing; Cunningham, Eric; Reis, David A.; Ghimire, Shambhu

2018-06-01

Strong-field ionization and re-scattering phenomena have been used to image angstrom-scale structures of isolated molecules in the gas phase. These methods typically make use of the anisotropic response of the participating molecular orbital. Recently, an anisotropic strong-field response has also been observed in high-order harmonic generation (HHG) from bulk crystals (2016 Nat. Phys. 13 345). In a (100) cut magnesium oxide crystal, extreme ultraviolet high-harmonics are found to depend strongly on the crystal structure and inter-atomic bonding. Here, we extend these measurements to other two important crystal orientations: (111) and (110). We find that HHG from these orientations is also strongly anisotropic. The underlying dynamics is understood using a real-space picture, where high-harmonics are produced via coherent collision of strong-field driven electrons from the atomic sites, including from the nearest neighbor atoms. We find that harmonic efficiency is enhanced when semi-classical electron trajectories connect to the concentrated valence charge distribution regions around the atomic cores. Similarly, the efficiency is suppressed when the trajectories miss the atomic cores. These results further support the real-space picture of HHG with implications for retrieving the periodic potential of the crystal, if not the wavefunctions in three-dimensions.

Single-crystal charge transfer interfaces for efficient photonic devices (Conference Presentation)

NASA Astrophysics Data System (ADS)

Alves, Helena; Pinto, Rui M.; Maçôas, Ermelinda M. S.; Baleizão, Carlos; Santos, Isabel C.

2016-09-01

Organic semiconductors have unique optical, mechanical and electronic properties that can be combined with customized chemical functionality. In the crystalline form, determinant features for electronic applications such as molecular purity, the charge mobility or the exciton diffusion length, reveal a superior performance when compared with materials in a more disordered form. Combining crystals of two different conjugated materials as even enable a new 2D electronic system. However, the use of organic single crystals in devices is still limited to a few applications, such as field-effect transistors. In 2013, we presented the first system composed of single-crystal charge transfer interfaces presenting photoconductivity behaviour. The system composed of rubrene and TCNQ has a responsivity reaching 1 A/W, corresponding to an external quantum efficiency of nearly 100%. A similar approach, with a hybrid structure of a PCBM film and rubrene single crystal also presents high responsivity and the possibility to extract excitons generated in acceptor materials. This strategy led to an extended action towards the near IR. By adequate material design and structural organisation of perylediimides, we demonstrate that is possible to improve exciton diffusion efficiency. More recently, we have successfully used the concept of charge transfer interfaces in phototransistors. These results open the possibility of using organic single-crystal interfaces in photonic applications.

Optically addressed and submillisecond response phase only liquid crystal spatial light modulator

NASA Astrophysics Data System (ADS)

Zhao, Xiangjie; Duan, Jiazhu; Zhang, Dayong; Luo, Yongquan

2014-10-01

Liquid crystal based phase only spatial light modulator has attracted many research interests since last decades because of its superior advantage. Until now the liquid crystal spatial light modulator has been applied in many fields, but the response speed of nematic LC limited its further application. In this paper, an optically addressed phase only LC spatial light modulator was proposed based on polymer network liquid crystal. Morphology effect on the light scattering of PNLC was studied, which was mainly consisted of fiber and fiber bundles. The morphology nearly determined the light scattering and electro-optical property. Due to the high threshold voltage, to address the PNLC phase modulator was also concerned. Optical addressing method was proposed, in which BSO crystal was selected to replace one of the glass substrate. The response speed of PNLC was so fast that the reorientation of liquid crystal director will follow the change of effective voltage applied on LC layer, which was related with the voltage signal and especially with electron transport of photo-induced carriers due to diffusion and drift. The on state dynamic response of phase change was investigated. Based on this device, beam steering was also achieved by loading 488nm laser strip on the optical addressed phase only spatial light modulator.

Purification of a Multidrug Resistance Transporter for Crystallization Studies

PubMed Central

Alegre, Kamela O.; Law, Christopher J.

2015-01-01

Crystallization of integral membrane proteins is a challenging field and much effort has been invested in optimizing the overexpression and purification steps needed to obtain milligram amounts of pure, stable, monodisperse protein sample for crystallography studies. Our current work involves the structural and functional characterization of the Escherichia coli multidrug resistance transporter MdtM, a member of the major facilitator superfamily (MFS). Here we present a protocol for isolation of MdtM to increase yields of recombinant protein to the milligram quantities necessary for pursuit of structural studies using X-ray crystallography. Purification of MdtM was enhanced by introduction of an elongated His-tag, followed by identification and subsequent removal of chaperonin contamination. For crystallization trials of MdtM, detergent screening using size exclusion chromatography determined that decylmaltoside (DM) was the shortest-chain detergent that maintained the protein in a stable, monodispersed state. Crystallization trials of MdtM performed using the hanging-drop diffusion method with commercially available crystallization screens yielded 3D protein crystals under several different conditions. We contend that the purification protocol described here may be employed for production of high-quality protein of other multidrug efflux members of the MFS, a ubiquitous, physiologically and clinically important class of membrane transporters. PMID:27025617

Photonic time crystals.

PubMed

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

2017-12-07

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

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

Dipole moment and solvatochromism of benzoic acid liquid crystals: Tuning the dipole moment and molecular orbital energies by substituted Au under external electric field

NASA Astrophysics Data System (ADS)

Sıdır, Yadigar Gülseven; Sıdır, İsa; Demiray, Ferhat

2017-06-01

The optical absorption and steady-state fluorescence spectra of 4-heptyloxybenzoic acid (4hoba), 4-octyloxybenzoic acid (4ooba) and 4-nonyloxybenzoic acid (4noba) liquid crystals have been measured in a series of different polarity organic solvents. The ground state (μg) and excited state (μe) dipole moments of the monomeric and dimeric 4-alkyloxybenzoic acid liquid crystals have been obtained by means of different solvatochromic shift methods. HOMO-LUMO gaps (HLG) and dipole moments have been tuned by applying external electric (EF) field on monomer, dimer and Au substituted monomer and dimer liquid crystal structures. By applying external electric field, Au substituted monomer liquid crystals display semiconductor character, while Au substituted dimer liquid crystals gain metallic character under E = 0.04 V/Å. Eventuated specific and non-specific interactions between solvent and solute in solvent medium have been expounded by using LSER (Linear Solvation Energy Relationships).

High-throughput crystallization screening.

PubMed

Skarina, Tatiana; Xu, Xiaohui; Evdokimova, Elena; Savchenko, Alexei

2014-01-01

Protein structure determination by X-ray crystallography is dependent on obtaining a single protein crystal suitable for diffraction data collection. Due to this requirement, protein crystallization represents a key step in protein structure determination. The conditions for protein crystallization have to be determined empirically for each protein, making this step also a bottleneck in the structure determination process. Typical protein crystallization practice involves parallel setup and monitoring of a considerable number of individual protein crystallization experiments (also called crystallization trials). In these trials the aliquots of purified protein are mixed with a range of solutions composed of a precipitating agent, buffer, and sometimes an additive that have been previously successful in prompting protein crystallization. The individual chemical conditions in which a particular protein shows signs of crystallization are used as a starting point for further crystallization experiments. The goal is optimizing the formation of individual protein crystals of sufficient size and quality to make them suitable for diffraction data collection. Thus the composition of the primary crystallization screen is critical for successful crystallization.Systematic analysis of crystallization experiments carried out on several hundred proteins as part of large-scale structural genomics efforts allowed the optimization of the protein crystallization protocol and identification of a minimal set of 96 crystallization solutions (the "TRAP" screen) that, in our experience, led to crystallization of the maximum number of proteins.

Determination of mass density, dielectric, elastic, and piezoelectric constants of bulk GaN crystal.

PubMed

Soluch, Waldemar; Brzozowski, Ernest; Lysakowska, Magdalena; Sadura, Jolanta

2011-11-01

Mass density, dielectric, elastic, and piezoelectric constants of bulk GaN crystal were determined. Mass density was obtained from the measured ratio of mass to volume of a cuboid. The dielectric constants were determined from the measured capacitances of an interdigital transducer (IDT) deposited on a Z-cut plate and from a parallel plate capacitor fabricated from this plate. The elastic and piezoelectric constants were determined by comparing the measured and calculated SAW velocities and electromechanical coupling coefficients on the Z- and X-cut plates. The following new constants were obtained: mass density p = 5986 kg/m(3); relative dielectric constants (at constant strain S) ε(S)(11)/ε(0) = 8.6 and ε(S)(11)/ε(0) = 10.5, where ε(0) is a dielectric constant of free space; elastic constants (at constant electric field E) C(E)(11) = 349.7, C(E)(12) = 128.1, C(E)(13) = 129.4, C(E)(33) = 430.3, and C(E)(44) = 96.5 GPa; and piezoelectric constants e(33) = 0.84, e(31) = -0.47, and e(15) = -0.41 C/m(2).

Superconductivity induced by In substitution into the topological crystalline insulator Pb0.5Sn0.5Te

NASA Astrophysics Data System (ADS)

Zhong, R. D.; Schneeloch, J. A.; Liu, T. S.; Camino, F. E.; Tranquada, J. M.; Gu, G. D.

2014-07-01

Indium substitution turns the topological crystalline insulator (TCI) Pb0.5Sn0.5Te into a possible topological superconductor. To investigate the effect of the indium concentration on the crystal structure and superconducting properties of (Pb0.5Sn0.5)1-xInxTe, we have grown high-quality single crystals using a modified floating-zone method and have performed systematic studies for indium content in the range 0≤x≤0.35. We find that the single crystals retain the rocksalt structure up to the solubility limit of indium (x ˜0.30). Experimental dependencies of the superconducting transition temperature (Tc) and the upper critical magnetic field (Hc2) on the indium content x have been measured. The maximum Tc is determined to be 4.7 K at x =0.30, with μ0Hc2(T =0)≈5 T.

Electro-optic high voltage sensor

DOEpatents

Davidson, James R.; Seifert, Gary D.

2003-09-16

A small sized electro-optic voltage sensor capable of accurate measurement of high voltages without contact with a conductor or voltage source is provided. When placed in the presence of an electric field, the sensor receives an input beam of electromagnetic radiation. A polarization beam displacer separates the input beam into two beams with orthogonal linear polarizations and causes one linearly polarized beam to impinge a crystal at a desired angle independent of temperature. The Pockels effect elliptically polarizes the beam as it travels through the crystal. A reflector redirects the beam back through the crystal and the beam displacer. On the return path, the polarization beam displacer separates the elliptically polarized beam into two output beams of orthogonal linear polarization. The system may include a detector for converting the output beams into electrical signals and a signal processor for determining the voltage based on an analysis of the output beams.

Brownian Dynamics of Colloidal Particles in Lyotropic Chromonic Liquid Crystals

NASA Astrophysics Data System (ADS)

Martinez, Angel; Collings, Peter J.; Yodh, Arjun G.

We employ video microscopy to study the Brownian dynamics of colloidal particles in the nematic phase of lyotropic chromonic liquid crystals (LCLCs). These LCLCs (in this case, DSCG) are water soluble, and their nematic phases are characterized by an unusually large elastic anisotropy. Our preliminary measurements of particle mean-square displacement for polystyrene colloidal particles (~5 micron-diameter) show diffusive and sub-diffusive behaviors moving parallel and perpendicular to the nematic director, respectively. In order to understand these motions, we are developing models that incorporate the relaxation of elastic distortions of the surrounding nematic field. Further experiments to confirm these preliminary results and to determine the origin of these deviations compared to simple diffusion theory are ongoing; our results will also be compared to previous diffusion experiments in nematic liquid crystals. We gratefully acknowledge financial support through NSF DMR12-05463, MRSEC DMR11-20901, and NASA NNX08AO0G.

Observation of hard X-rays from the Crab pulsar and A0535+26

NASA Technical Reports Server (NTRS)

Wu, M.; Dai, C.; Lu, Z.; Ma, Y.; Li, G.; Fan, Z.; Zhang, C.; Xu, C.; Zhang, X.; Gu, Y.

1985-01-01

The Crab pulsar PSR0531+21 was observed in a balloon flight from the Xianghe Balloon Station (China). Data were obtained in the range 20 to 200 keV with a poswish hard X-ray telescope which comprised a 150 sq cm primary crystal of 5 mm thick CsI(T1) which actively shielded the lower 2 pi steradians by a 5 cm thick NaI(T1) crystal. The scintillation pulses originating in CsI and NaI crystals are distinguished by pulse shape discrimination. The telescope has a field of view of approximately 4 deg H psi H pi determined by graded shield and collimator. The effective geometric area of the detector is 116 sq cm. It is noted that when folding a data flow on a long period interference from the data acquisition, transmission and recording system considerably affect the result.

Excitonic spectra and energy band structure of ZnAl2Se4 crystals

NASA Astrophysics Data System (ADS)

Syrbu, N. N.; Zalamai, V. V.; Tiron, A. V.; Tiginyanu, I. M.

2015-11-01

Absorption, reflection and wavelength modulated reflection spectra were investigated in ZnAl2Se4 crystals. The energy positions of ground and excited states for three excitonic series (А, В and С) were determined. The main parameters of excitons and more precise values of energy intervals V1(Γ7)-C1(Γ6), V2(Γ6)-C1(Γ6), and V3(Γ7)-C1(Γ6) were estimated. Values of splitting due to crystal field and spin-orbital interaction were calculated. Effective masses of electrons (mC1∗) and holes (mV1∗, mV2∗, mV3∗) were estimated. Reflection spectra contours in excitonic region were calculated using dispersion equations. Optical functions for E > Eg from measured reflection spectra were assigned on the base of Kramers-Kronig relations.

Towards spontaneous parametric down-conversion at low temperatures

NASA Astrophysics Data System (ADS)

Akatiev, Dmitrii; Boldyrev, Kirill; Kuzmin, Nikolai; Latypov, Ilnur; Popova, Marina; Shkalikov, Andrey; Kalachev, Alexey

2017-10-01

The possibility of observing spontaneous parametric down-conversion in doped nonlinear crystals at low temperatures, which would be useful for combining heralded single-photon sources and quantum memories, is studied theoretically. The ordinary refractive index of a lithium niobate crystal doped with magnesium oxide LiNbO3:MgO is measured at liquid nitrogen and helium temperatures. On the basis of the experimental data, the coefficients of the Sellmeier equation are determined for the temperatures from 5 to 300 K. In addition, a poling period of the nonlinear crystal has been calculated for observing type-0 spontaneous parametric down-conversion (ooo-synchronism) at the liquid helium temperature under pumping at the wavelength of λp = 532 nm and emission of the signal field at the wavelength of λs = 794 nm, which corresponds to the resonant absorption line of Tm3+ doped ions.

Crystal Field in Rare-Earth Complexes: From Electrostatics to Bonding.

PubMed

Alessandri, Riccardo; Zulfikri, Habiburrahman; Autschbach, Jochen; Bolvin, Hélène

2018-04-11

The flexibility of first-principles (ab initio) calculations with the SO-CASSCF (complete active space self-consistent field theory with a treatment of the spin-orbit (SO) coupling by state interaction) method is used to quantify the electrostatic and covalent contributions to crystal field parameters. Two types of systems are chosen for illustration: 1) The ionic and experimentally well-characterized PrCl 3 crystal; this study permits a revisitation of the partition of contributions proposed in the early days of crystal field theory; and 2) a series of sandwich molecules [Ln(η n -C n H n ) 2 ] q , with Ln=Dy, Ho, Er, and Tm and n=5, 6, and 8, in which the interaction between Ln III and the aromatic ligands is more difficult to describe within an electrostatic approach. It is shown that a model with three layers of charges reproduces the electrostatic field generated by the ligands and that the covalency plays a qualitative role. The one-electron character of crystal field theory is discussed and shown to be valuable, although it is not completely quantitative. This permits a reduction of the many-electron problem to a discussion of the energy of the seven 4f orbitals. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Space-Time Crystals of Trapped Ions

DTIC Science & Technology

2012-10-15

Spontaneous symmetry breaking can lead to the formation of time crystals, as well as spatial crystals. Here we propose a space- time crystal of...fields with fractional fluxes. The persistent rotation of trapped ions produces the temporal order, leading to the formation of a space- time crystal . We

High field (up to 140 kOe) angle dependent magneto transport of Bi2Te3 single crystals

NASA Astrophysics Data System (ADS)

Sultana, Rabia; Maheshwari, P. K.; Tiwari, Brajesh; Awana, V. P. S.

2018-01-01

We report the angle dependent high field (up to 140 kOe) magneto transport of Bi2Te3 single crystals, a well-known topological insulator. The crystals were grown from melt of constituent elements via solid state reaction route by self-flux method. Details of crystal growth along with their brief characterisation up to 5 Tesla applied field was reported by some of us recently (Sultana et al 2017 J. Magn. Magn. Mater. 428 213). The angle dependence of the magneto-resistance (MR) of Bi2Te3 follows the cos (θ) function i.e., MR is responsive, when the applied field is perpendicular (tilt angle θ = 0° and/or 180°) to the transport current. The low field (±10 kOe) MR showed the signatures of weak anti localisation character with typical ν-type cusp near origin at 5 K. Further, the MR is linear right up to highest applied field of 140 kOe. The large positive MR are observed up to high temperatures and are above 250% and 150% at 140 kOe in perpendicular fields at 50 K and 100 K respectively. Heat capacity C P(T) measurements revealed the value of Debye temperature (ѲD) to be 135 K. Angle resolved photoemission spectroscopy data clearly showed that the bulk Bi2Te3 single crystal consists of a single Dirac cone.

Reverse-mode microdroplet liquid crystal display

NASA Astrophysics Data System (ADS)

Ma, Yao-Dong; Wu, Bao Gang; Xu, Gang

1990-04-01

This paper presents the production of the a reverse-mode microdroplet liquid crystal (RMLC) light shutter display. In this unit, the display is formed by a thin polymer film with dispersed liquid crystal microdroplets. The display is light transmissive in the absence of an applied electrical field. The display is converted to a non-transmissive state (i.e. absorbing or scattering) when an electrical field is applied. The "off' and "on" state. of this display are thus exactly opposite to that encountered in "normal-mode" microdroplet liquid crystal display devices such as polymer dispersed liquid crystals (PDLC)15 or Nematic Curvilinear Aligned Phase (NCAP)6. The Reverse Mode Microdroplet Liquid Crystal is obtained by modification of the surface energy of the polymer which encases liquid crystals via reaction of a dopant incorporated inside of the microdroplet during the droplet formation within the inside polymer layer. The liquid crystal used in RMLC is of negative dielectric anisotropy.

Field-induced charge transport at the surface of pentacene single crystals: A method to study charge dynamics of two-dimensional electron systems in organic crystals

NASA Astrophysics Data System (ADS)

Takeya, J.; Goldmann, C.; Haas, S.; Pernstich, K. P.; Ketterer, B.; Batlogg, B.

2003-11-01

A method has been developed to inject mobile charges at the surface of organic molecular crystals, and the dc transport of field-induced holes has been measured at the surface of pentacene single crystals. To minimize damage to the soft and fragile surface, the crystals are attached to a prefabricated substrate which incorporates a gate dielectric (SiO2) and four probe pads. The surface mobility of the pentacene crystals ranges from 0.1 to 0.5 cm2/V s and is nearly temperature independent above ˜150 K, while it becomes thermally activated at lower temperatures when the induced charges become localized. Ruling out the influence of electric contacts and crystal grain boundaries, the results contribute to the microscopic understanding of trapping and detrapping mechanisms in organic molecular crystals.

A drunken search in crystallization space.

PubMed

Fazio, Vincent J; Peat, Thomas S; Newman, Janet

2014-10-01

The REMARK280 field of the Protein Data Bank is the richest open source of successful crystallization information. The REMARK280 field is optional and currently uncurated, so significant effort needs to be applied to extract reliable data. There are well over 15 000 crystallization conditions available commercially from 12 different vendors. After putting the PDB crystallization information and the commercial cocktail data into a consistent format, these data are used to extract information about the overlap between the two sets of crystallization conditions. An estimation is made as to which commercially available conditions are most appropriate for producing well diffracting crystals by looking at which commercial conditions are found unchanged (or almost unchanged) in the PDB. Further analyses include which commercial kits are the most appropriate for shotgun or more traditional approaches to crystallization screening. This analysis suggests that almost 40% of the crystallization conditions found currently in the PDB are identical or very similar to a commercial condition.

Determining Kinetic Parameters for Isothermal Crystallization of Glasses

NASA Technical Reports Server (NTRS)

Ray, C. S.; Zhang, T.; Reis, S. T.; Brow, R. K.

2006-01-01

Non-isothermal crystallization techniques are frequently used to determine the kinetic parameters for crystallization in glasses. These techniques are experimentally simple and quick compared to the isothermal techniques. However, the analytical models used for non-isothermal data analysis, originally developed for describing isothermal transformation kinetics, are fundamentally flawed. The present paper describes a technique for determining the kinetic parameters for isothermal crystallization in glasses, which eliminates most of the common problems that generally make the studies of isothermal crystallization laborious and time consuming. In this technique, the volume fraction of glass that is crystallized as a function of time during an isothermal hold was determined using differential thermal analysis (DTA). The crystallization parameters for the lithium-disilicate (Li2O.2SiO2) model glass were first determined and compared to the same parameters determined by other techniques to establish the accuracy and usefulness of the present technique. This technique was then used to describe the crystallization kinetics of a complex Ca-Sr-Zn-silicate glass developed for sealing solid oxide fuel cells.

Lidar inelastic multiple-scattering parameters of cirrus particle ensembles determined with geometrical-optics crystal phase functions.

PubMed

Reichardt, J; Hess, M; Macke, A

2000-04-20

Multiple-scattering correction factors for cirrus particle extinction coefficients measured with Raman and high spectral resolution lidars are calculated with a radiative-transfer model. Cirrus particle-ensemble phase functions are computed from single-crystal phase functions derived in a geometrical-optics approximation. Seven crystal types are considered. In cirrus clouds with height-independent particle extinction coefficients the general pattern of the multiple-scattering parameters has a steep onset at cloud base with values of 0.5-0.7 followed by a gradual and monotonic decrease to 0.1-0.2 at cloud top. The larger the scattering particles are, the more gradual is the rate of decrease. Multiple-scattering parameters of complex crystals and of imperfect hexagonal columns and plates can be well approximated by those of projected-area equivalent ice spheres, whereas perfect hexagonal crystals show values as much as 70% higher than those of spheres. The dependencies of the multiple-scattering parameters on cirrus particle spectrum, base height, and geometric depth and on the lidar parameters laser wavelength and receiver field of view, are discussed, and a set of multiple-scattering parameter profiles for the correction of extinction measurements in homogeneous cirrus is provided.

Snynthesis and magnetization of BaLn2O4 (Ln = lanthanide)

NASA Astrophysics Data System (ADS)

Lundberg, Matthew

The BaLn2O4 family has been synthesized successfully as single crystals by the flux-growth method. The phases crystallize in the CaV2O4 structure prototype in space group Pnma (# 62). The structure has been studied using single-crystal x-ray diffraction, and stoichiometry confirmed with EDS, and the unit cell parameters and atomic positions have been determined for the whole lanthanide series (with the exception of the Lu compound). The effects of the lanthanide ionic radius on the atomic positions in the unit cell has been studied in terms of fractional atomic coordinates, bond lengths and angles, and bond valence sums. Magnetic measurements have been performed on the series with the exception of the La, Eu, and Lu members in the form of susceptibility versus temperature. The crystals all show signs of geometric antiferromagnetic frustration with the Neel temperatures significantly below the temperature predicted by the Weiss constant. Additionally some members of the family, namely BaCe2O4, BaNd2O4, BaPr 2O4, BaSm2O4, BaTb2O 4, and BaYb2O4 show significant crystal field splitting, that causes deviation from Currie-Weiss behavior.

Superconducting, magnetic and magnetotransport properties of FeTe1-xSex single crystals

NASA Astrophysics Data System (ADS)

Kumar, Rohit; Sudesh, Varma, G. D.

2018-05-01

The single crystalline samples with compositions FeTe1-xSex (0.25 ≤ x ≤ 0.50) have been prepared via self-flux method and the superconducting, magnetic and magnetotransport properties of the grown crystals were investigated. The superconducting onset temperatures have been determined from the measurements of zero field cooled magnetization and resistance with temperatures. In the present case, highest superconducting transition temperature TC (onset) ˜ 15 K has been obtained for x=0.5. The HC2 (T=0 K) values have been estimated by fitting the experimental HC2 - T plots with WHH model. The highest HC2(0) has been obtained for x=0.5. The activation energy of the thermally activated flux flow has been found from the broadening of superconducting transition in an applied magnetic field using the Arrhenius law. Our results show that the activation energy (U0) decreases with the increasing magnetic field. Furthermore, the magnetization measurements for x=0.4 and 0.5 samples have been performed at T=5 K in the magnetic field range ±7 T to estimate critical current density at different applied magnetic fields using Bean formula. We see that the sample x=0.5 has higher values of JC as compared to that of x=0.4 at all magnetic fields. This is in conformity with the behavior of U0-H plots.

Real time quantitative imaging for semiconductor crystal growth, control and characterization

NASA Technical Reports Server (NTRS)

Wargo, Michael J.

1991-01-01

A quantitative real time image processing system has been developed which can be software-reconfigured for semiconductor processing and characterization tasks. In thermal imager mode, 2D temperature distributions of semiconductor melt surfaces (900-1600 C) can be obtained with temperature and spatial resolutions better than 0.5 C and 0.5 mm, respectively, as demonstrated by analysis of melt surface thermal distributions. Temporal and spatial image processing techniques and multitasking computational capabilities convert such thermal imaging into a multimode sensor for crystal growth control. A second configuration of the image processing engine in conjunction with bright and dark field transmission optics is used to nonintrusively determine the microdistribution of free charge carriers and submicron sized crystalline defects in semiconductors. The IR absorption characteristics of wafers are determined with 10-micron spatial resolution and, after calibration, are converted into charge carrier density.

Atomic resolution ADF-STEM imaging of organic molecular crystal of halogenated copper phthalocyanine.

PubMed

Haruta, Mitsutaka; Yoshida, Kaname; Kurata, Hiroki; Isoda, Seiji

2008-05-01

Annular dark-field (ADF) scanning transmission electron microscopy (STEM) measurements are demonstrated for the first time to be applicable for acquiring Z-contrast images of organic molecules at atomic resolution. High-angle ADF imaging by STEM is a new technique that provides incoherent high-resolution Z-contrast images for organic molecules. In the present study, low-angle ADF-STEM is successfully employed to image the molecular crystal structure of hexadecachloro-Cu-phthalocyanine (Cl16-CuPc), an organic molecule. The structures of CuPc derivatives (polyhalogenated CuPc with Br and Cl) are determined quantitatively using the same technique to determine the occupancy of halogens at each chemical site. By comparing the image contrasts of atomic columns, the occupancy of Br is found to be ca. 56% at the inner position, slightly higher than that for random substitution and in good agreement with previous TEM results.

The Role of Marangoni Convection for the FZ-Growth of Silicon

NASA Technical Reports Server (NTRS)

Dold, P.; Corell, A.; Schweizer, M.; Kaiser, Th.; Szofran, F.; Nakamura, S.; Hibiya, T.; Benz, K. W.

1998-01-01

Fluctuations of the electrical resistivity due to inhomogeneous dopant distribution are still a serious problem for the industrial processing yield of doped silicon crystals. In the case of silicon floating-zone growth, the main sources of these inhomogeneities are time- dependent flows in the liquid phase during the growth process. Excluding radio frequency (RF) induced convection, buoyancy and thermocapillary (Marangoni) convection are the two natural reasons for fluid flow. Both originate from temperature/concentration gradients in the melt, buoyancy convection through thermal/concentrational volume expansion, and thermocapillary convection through the temperature/concentration dependence of the surface tension. To improve the properties of grown crystals, knowledge of the strength, the characteristic, and the relation of these two flow mechanisms is essential. By the use of microgravity, the effect and the strength of buoyancy (gravity dependent) and thermocapillary (gravity independent) convection can be separated and clarified. Applying magnetic fields, both convective modes can be influenced: fluid flow can either be damped (static magnetic fields) or overlaid by a regular flow regime (rotating magnetic fields). Two complementary approaches have been pursued: Silicon full zones (experiments on the German sounding rockets TEXUS 7, 12, 22, 29, and 36) with the maximum temperature at half of the zone height and silicon half zones (experiments on the Japanese sounding rockets TR-IA4 and 6) with the maximum temperature at the top of the melt. With the full zone arrangement, the intensity and the frequency of the dopant striations could be determined and the critical Marangoni number could be identified. The half zone configuration is suited to classify the flow pattern and to measure the amplitude and the frequency of temperature fluctuations in the melt by inserting thermocouples or temperature sensors into the melt. All experiments have been carried out in monoellipsoid mirror furnaces. Typical zone geometries are approx. 8 to 14 mm in diameter and height. The crystals grown under microgravity are compared to crystals grown in static axial magnetic fields (B<5 tesla) and in transversal rotating magnetic fields (B<7.5 mT / f=50 Hz). Experimental results are completed by 3D numerical simulations: the obtained temperature and concentration distribution in the melt confirm the damping effect of rotating magnetic fields and explain the change in the radial segregation under static magnetic fields.

Influence of initial seed distribution on the pattern formation of the phase field crystals

NASA Astrophysics Data System (ADS)

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

2017-11-01

The process of crystal growth can be expressed as a transition of atomic structure to a finally stable state or to a metastable state. In the Phase Field Crystal Model (PFC-model) these states are described by regular distributions of the atomic density. Getting the system into any metastable condition may be caused by the peculiarities of the computational domain, initial and boundary conditions. However, an important factor in the formation of the crystal structure can be the initial disturbance. In the report we show how different types of initial disturbance can change the finally stable state of crystal structure in equilibrium.

An Apparatus for Growth of Small Crystals From Solutions.

ERIC Educational Resources Information Center

Mitrovic, Mico M.

1995-01-01

Describes an apparatus for crystal growth that was designed to study growth kinetics of small crystals from solutions and to obtain crystals of various substances. Describes the use of the apparatus in laboratory practical experiments in the field of crystal growth physics within the course "Solid State Physics". (JRH)

The measurement of the stacking fault energy in copper, nickel and copper-nickel alloys

NASA Technical Reports Server (NTRS)

Leighly, H. P., Jr.

1982-01-01

The relationship of hydrogen solubility and the hydrogen embrittlement of high strength, high performance face centered cubic alloys to the stacking fault energy of the alloys was investigated. The stacking fault energy is inversely related to the distance between the two partial dislocations which are formed by the dissociation of a perfect dislocation. The two partial dislocations define a stacking fault in the crystal which offers a region for hydrogen segregation. The distance between the partial dislocations is measured by weak beam, dark field transmission electron microscopy. The stacking fault energy is calculated. Pure copper, pure nickel and copper-nickel single crystals are used to determine the stacking fault energy.

Vacuum electrolysis of quartz

DOEpatents

King, James Claude

1976-01-13

The disclosure is directed to a method for processing quartz used in fabricating crystal resonators such that transient frequency change of resonators exposed to pulse irradiation is virtually eliminated. The method involves heating the crystal quartz in a hydrogen-free atmosphere while simultaneously applying an electric field in the Z-axis direction of the crystal. The electric field is maintained during the cool-down phase of the process.

Switching plastic crystals of colloidal rods with electric fields

PubMed Central

Liu, Bing; Besseling, Thijs H.; Hermes, Michiel; Demirörs, Ahmet F.; Imhof, Arnout; van Blaaderen, Alfons

2014-01-01

When a crystal melts into a liquid both long-ranged positional and orientational order are lost, and long-time translational and rotational self-diffusion appear. Sometimes, these properties do not change at once, but in stages, allowing states of matter such as liquid crystals or plastic crystals with unique combinations of properties. Plastic crystals/glasses are characterized by long-ranged positional order/frozen-in-disorder but short-ranged orientational order, which is dynamic. Here we show by quantitative three-dimensional studies that charged rod-like colloidal particles form three-dimensional plastic crystals and glasses if their repulsions extend significantly beyond their length. These plastic phases can be reversibly switched to full crystals by an electric field. These new phases provide insight into the role of rotations in phase behaviour and could be useful for photonic applications. PMID:24446033

Switching plastic crystals of colloidal rods with electric fields

NASA Astrophysics Data System (ADS)

Liu, Bing; Besseling, Thijs H.; Hermes, Michiel; Demirörs, Ahmet F.; Imhof, Arnout; van Blaaderen, Alfons

2014-01-01

When a crystal melts into a liquid both long-ranged positional and orientational order are lost, and long-time translational and rotational self-diffusion appear. Sometimes, these properties do not change at once, but in stages, allowing states of matter such as liquid crystals or plastic crystals with unique combinations of properties. Plastic crystals/glasses are characterized by long-ranged positional order/frozen-in-disorder but short-ranged orientational order, which is dynamic. Here we show by quantitative three-dimensional studies that charged rod-like colloidal particles form three-dimensional plastic crystals and glasses if their repulsions extend significantly beyond their length. These plastic phases can be reversibly switched to full crystals by an electric field. These new phases provide insight into the role of rotations in phase behaviour and could be useful for photonic applications.

Solution-processed, Self-organized Organic Single Crystal Arrays with Controlled Crystal Orientation

PubMed Central

Kumatani, Akichika; Liu, Chuan; Li, Yun; Darmawan, Peter; Takimiya, Kazuo; Minari, Takeo; Tsukagoshi, Kazuhito

2012-01-01

A facile solution process for the fabrication of organic single crystal semiconductor devices which meets the demand for low-cost and large-area fabrication of high performance electronic devices is demonstrated. In this paper, we develop a bottom-up method which enables direct formation of organic semiconductor single crystals at selected locations with desired orientations. Here oriented growth of one-dimensional organic crystals is achieved by using self-assembly of organic molecules as the driving force to align these crystals in patterned regions. Based upon the self-organized organic single crystals, we fabricate organic field effect transistor arrays which exhibit an average field-effect mobility of 1.1 cm2V−1s−1. This method can be carried out under ambient atmosphere at room temperature, thus particularly promising for production of future plastic electronics. PMID:22563523

Polymer dispersed nematic liquid crystal for large area displays and light valves

NASA Astrophysics Data System (ADS)

Drzaic, Paul S.

1986-09-01

A new electro-optical material based on nematic liquid crystal dispersed in a polymer matrix has recently been introduced by Fergason. This technology (termed NCAP, for nematic curvilinear aligned phase) is suitable for making very large area (thousands of square centimeter) light valves and displays. The device consists of micron size droplets of liquid crystal dispersed in and surrounded by a polymer film. Light passing through the film in the absence of an applied field is strongly forward scattered, giving a milky, translucent film. Application of an electric field across the liquid crystal/polymer film places the film in a highly transparent state. Pleochroic dyes may be employed in the system in order to achieve controllable light absorption as well as scattering. Microscopically, it is shown that the liquid-crystal director lies preferentially parallel to the polymer wall, leading to a bipolar-like configuration of the liquid-crystal directors within the droplet. The symmetry axes of the droplets are randomly oriented in the unpowered, scattering state, but align parallel to the field in the powered, transparent state. The electric field required to reorient a given droplet varies inversely with the diameter of that droplet, and it is shown that the macroscopic electro-optical properties of the film can be modeled if the distribution of liquid-crystal droplet sizes is known.

Tunable two-dimensional photonic crystals using liquid crystal infiltration

NASA Astrophysics Data System (ADS)

Leonard, S. W.; Mondia, J. P.; van Driel, H. M.; Toader, O.; John, S.; Busch, K.; Birner, A.; Gösele, U.; Lehmann, V.

2000-01-01

The photonic band gap of a two-dimensional photonic crystal is continuously tuned using the temperature dependent refractive index of a liquid crystal. Liquid crystal E7 was infiltrated into the air pores of a macroporous silicon photonic crystal with a triangular lattice pitch of 1.58 μm and a band gap wavelength range of 3.3-5.7 μm. After infiltration, the band gap for the H polarized field shifted dramatically to 4.4-6.0 μm while that of the E-polarized field collapsed. As the sample was heated to the nematic-isotropic phase transition temperature of the liquid crystal (59 °C), the short-wavelength band edge of the H gap shifted by as much as 70 nm while the long-wavelength edge was constant within experimental error. Band structure calculations incorporating the temperature dependence of the liquid crystal birefringence can account for our results and also point to an escaped-radial alignment of the liquid crystal in the nematic phase.

A sensor for vector electric field measurements through a nonlinear anisotropic optical crystal

NASA Astrophysics Data System (ADS)

Barbieri, Luca; Gondola, Marco; Potenza, Marco; Villa, Andrea; Malgesini, Roberto

2017-11-01

Electrical applications require the development of electric field sensors that can reproduce vector electric field waveforms with a very large spectral width ranging from 50 Hz to at least 70 MHz. This makes it possible to measure both the normal operation modes of electrical components and abnormal behaviors such as the corona emission and partial discharges. In this work, we aim to develop a fully dielectric sensor capable of measuring two components of the electric field using a wide class of optical crystals including anisotropic ones, whereas most of the efforts in this field have been devoted to isotropic crystals. We report the results of the measurements performed at 50 Hz and with a lightning impulse, to validate the sensor.

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

NASA Technical Reports Server (NTRS)

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

2002-01-01

Single crystal superalloys have become increasingly popular for turbine blade and vane applications due to their high strength, and creep and fatigue resistance at elevated temperatures. The crystallographic orientation of a single crystal material greatly affects its material properties, including elastic modulus, shear modulus, and ductility. These directional properties, along with the type of loading and temperature, dictate an anisotropic response in the yield strength, creep resistance, creep rupture ductility, fatigue resistance, etc. A significant amount of research has been conducted to determine the material properties in the <001> orientation, yet the material properties deviating from the <001> orientation have not been assessed for all cases. Based on the desired application and design criteria, a crystal orientation is selected to yield the maximum properties. Currently, single crystal manufacturing is able to control the primary crystallographic orientation within 15 of the target orientation, which is an acceptable deviation to meet both performance and cost guidelines; the secondary orientation is rarely specified. A common experiment is the standard load-controlled tensile test, in which specimens with different orientations can be loaded to observe the material response. The deformation behavior of single-crystal materials under tension and compression is known to be a function of not only material orientation, but also of varying microdeformation (i.e. dislocation) mechanisms. The underlying dislocation motion causes deformation via slip, and affects the activation of specific slip systems based on load and orientation. The slip can be analyzed by observing the visible traces left on the surface of the specimen from the slip activity within the single crystal material. The goal of this thesis was to predict the slip systems activated in three-dimensional stress fields of a notched tensile specimen, as a function of crystal orientation, using finite element analysis without addressing microstructural deformation mechanisms that govern their activation. Out of three orientations tested, the specimen with a [110] load orientation and a [001] growth direction had the lowest maximum resolved shear stress; this specimen orientation appears to be the best design candidate for a tensile application.

Characterization of a bent Laue double-crystal beam-expanding monochromator

DOE PAGES

Martinson, Mercedes; Samadi, Nazanin; Shi, Xianbo; ...

2017-10-19

A bent Laue double-crystal monochromator system has been designed for vertically expanding the X-ray beam at the Canadian Light Source's BioMedical Imaging and Therapy beamlines. Expansion by a factor of 12 has been achieved without deteriorating the transverse coherence of the beam, allowing phase-based imaging techniques to be performed with high flux and a large field of view. However, preliminary studies revealed a lack of uniformity in the beam, presumed to be caused by imperfect bending of the silicon crystal wafers used in the system. Results from finite-element analysis of the system predicted that the second crystal would be mostmore » severely affected and has been shown experimentally. It has been determined that the majority of the distortion occurs in the second crystal and is likely caused by an imperfection in the surface of the bending frame. Here, measurements were then taken to characterize the bending of the crystal using both mechanical and diffraction techniques. In particular, two techniques commonly used to map dislocations in crystal structures have been adapted to map local curvature of the bent crystals. One of these, a variation of Berg–Berrett topography, has been used to quantify the diffraction effects caused by the distortion of the crystal wafer. This technique produces a global mapping of the deviation of the diffraction angle relative to a perfect cylinder. Finally, this information is critical for improving bending and measuring tolerances of imperfections by correlating this mapping to areas of missing intensity in the beam.« less

Characterization of a bent Laue double-crystal beam-expanding monochromator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martinson, Mercedes; Samadi, Nazanin; Shi, Xianbo

A bent Laue double-crystal monochromator system has been designed for vertically expanding the X-ray beam at the Canadian Light Source's BioMedical Imaging and Therapy beamlines. Expansion by a factor of 12 has been achieved without deteriorating the transverse coherence of the beam, allowing phase-based imaging techniques to be performed with high flux and a large field of view. However, preliminary studies revealed a lack of uniformity in the beam, presumed to be caused by imperfect bending of the silicon crystal wafers used in the system. Results from finite-element analysis of the system predicted that the second crystal would be mostmore » severely affected and has been shown experimentally. It has been determined that the majority of the distortion occurs in the second crystal and is likely caused by an imperfection in the surface of the bending frame. Here, measurements were then taken to characterize the bending of the crystal using both mechanical and diffraction techniques. In particular, two techniques commonly used to map dislocations in crystal structures have been adapted to map local curvature of the bent crystals. One of these, a variation of Berg–Berrett topography, has been used to quantify the diffraction effects caused by the distortion of the crystal wafer. This technique produces a global mapping of the deviation of the diffraction angle relative to a perfect cylinder. Finally, this information is critical for improving bending and measuring tolerances of imperfections by correlating this mapping to areas of missing intensity in the beam.« less

Liquid-Crystal-Enabled Active Plasmonics: A Review

PubMed Central

Si, Guangyuan; Zhao, Yanhui; Leong, Eunice Sok Ping; Liu, Yan Jun

2014-01-01

Liquid crystals are a promising candidate for development of active plasmonics due to their large birefringence, low driving threshold, and versatile driving methods. We review recent progress on the interdisciplinary research field of liquid crystal based plasmonics. The research scope of this field is to build the next generation of reconfigurable plasmonic devices by combining liquid crystals with plasmonic nanostructures. Various active plasmonic devices, such as switches, modulators, color filters, absorbers, have been demonstrated. This review is structured to cover active plasmonic devices from two aspects: functionalities and driven methods. We hope this review would provide basic knowledge for a new researcher to get familiar with the field, and serve as a reference for experienced researchers to keep up the current research trends. PMID:28788515

Determination of bulk domain structure and magnetization processes in bcc ferromagnetic alloys: Analysis of magnetostriction in F e83G a17

NASA Astrophysics Data System (ADS)

He, Yangkun; Coey, J. M. D.; Schaefer, Rudolf; Jiang, Chengbao

2018-01-01

The ground state of macroscopic samples of magnetically ordered materials is a domain state because of magnetostatic energy or entropy, yet we have limited experimental means for imaging the bulk domain structure and the magnetization process directly. The common methods available reveal the domains at the surface or in electron- or x-ray transparent lamellae, not those in the bulk. The magnetization curve just reflects the vector sum of the moments of all the domains in the sample, but magnetostriction curves are more informative. They are strongly influenced by the domain structure in the unmagnetized state and its evolution during the magnetization process in an applied field. Here we report a method of determining the bulk domain structure in a cubic magnetostrictive material by combining magneto-optic Kerr microscopy with magnetostriction and magnetization measurements on single crystals as a function of applied field. We analyze the magnetostriction of F e83G a17 crystals in terms of a domain structure that is greatly influenced by sample shape and heat treatment. Saturation magnetostriction measurements are used to determine the fraction of domains orientated along the three 〈100 〉 axes in the initial state. Domain wall motion and rotation process have characteristic signatures in the magnetostriction curves, including those associated with the Δ E effect and domain rotation through a 〈110 〉 auxetic direction.

Using Magnetic Field Gradients to Simulate Variable Gravity in Fluids and Materials Experiments

NASA Technical Reports Server (NTRS)

Ramachandran, Narayanan

2006-01-01

Fluid flow due to a gravitational field is caused by sedimentation, thermal buoyancy, or solutal buoyancy induced convection. During crystal growth, for example, these flows are undesirable and 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, a theory is presented on the stability of solutal convection of a magnetized fluid(weak1y paramagnetic) in the presence of a magnetic field. The requirements for stability are developed and compared to experiments performed within the bore of a superconducting magnet. The theoretical predictions are in good agreement with the experiments. Extension of the technique can also be applied to study artificial gravity requirements for long duration exploration missions. Discussion of this application with preliminary experiments and application of the technique to crystal growth will be provided.

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.

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.

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

Crystallization screening: the influence of history on current practice.

PubMed

Luft, Joseph R; Newman, Janet; Snell, Edward H

2014-07-01

While crystallization historically predates crystallography, it is a critical step for the crystallographic process. The rich history of crystallization and how that history influences current practices is described. The tremendous impact of crystallization screens on the field is discussed.

Synthesis, structure, and magnetic characterization of Cr{sub 4}US{sub 8}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ward, Matthew D.; Chan, Ian Y.; Malliakas, Christos D.

The compound Cr{sub 4}US{sub 8} has been synthesized at 1073 K and its crystal structure has been determined at 100 K. The structure is modulated with a two-fold commensurate supercell. The subcell may be indexed in an orthorhombic cell but weak supercell reflections lead to the monoclinic superspace group P2{sub 1}/c(α0γ)0s with two Cr sites, one U site, and four S sites. The structure comprises a three-dimensional framework of CrS{sub 6} octahedra with channels that are partially occupied by U atoms. Each U atom in these channels is coordinated by eight S atoms in a bicapped trigonal-prismatic arrangement. The magneticmore » behavior of Cr{sub 4}US{sub 8} is complex. At temperatures above ~120 K at all measured fields, there is little difference between field-cooled and zero field-cooled data and χ(T) decreases monotonously with temperature, which is reminiscent of the Curie–Weiss law. At lower temperatures, the temperature dependence of χ(T) is complex and strongly dependent on the magnetic field strength. - Graphical abstract: Structure of Cr{sub 4}US{sub 8} viewed down the a axis. - Highlights: • At 1073 K Cr{sub 4}US{sub 8} was synthesized and at 100 K its crystal structure was determined. • The 3D structure comprises CrS{sub 6} octahedra with channels partially occupied by U. • The magnetic behavior of Cr{sub 4}US{sub 8} is complex.« less

Quartz Crystal Microbalance: Aerosol Viscoelastic Measurement Calibration and Subsiquent H2O Uptake

NASA Astrophysics Data System (ADS)

Farland, D. R., Jr.; Gilles, M. K.; Harder, T.; Weis, J.; Mueller, S.

2015-12-01

Aerosol particles exposed to various atmospheric relative humidity (RH) levels exhibit hygroscopic properties which are not fully understood. Water adsorption or diffusion depends on particle viscosity in semi-solid to liquid states. This relationship between particle viscosity as a function of RH and the corresponding hygroscopic behavioral response is the purpose of this study. However, reliable techniques for viscosity quantification have been limited. A Quartz Crystal Microbalance with Dissipation (QCM-D) was used for viscosity measurements and to determine phase changes. Prior to studies on field samples, microscope immersion/viscosity standard oils, salt crystals, sugars and alpha-pinene secondary organic aerosol (SOA) surrogates are used for viscosity, RH calibrations, water uptake and phase change measurements. RH was controlled by flowing N2 gas saturated with H2O for RH's between 0-75% RH. For higher RH values, (75-100% RH range) saturated salt solutions were flowed over a gore membrane to protect the QCM sensor from direct contact with the solutions. The viscosity calibration constructed via QTools fitting software illustrates the limitations as well as the ranges of reliability of the QCM viscosity measurements. Deliquescing salt crystals of differing deliquescence relative humidity's (DRH), sugars and alpha-pinene SOA's provided insight into the detection of various phase change behaviors. Water uptake experiments performed on alpha-pinene SOA and sucrose sugar yielded significantly different frequency and dissipation responses than the deliquescing salts. Future work will apply these experimental methods and analysis on aerosol particles collected during the GoAmazon field campaign.

DOE Office of Scientific and Technical Information (OSTI.GOV)

James, S St.; Argento, D; Stewart, R

Purpose: The University of Washington Medical Center offers neutron therapy for the palliative and definitive treatment of selected cancers. In vivo field verification has the potential to improve the safe and effective delivery of neutron therapy. We propose a portal imaging method that relies on the creation of positron emitting isotopes (11C and 15O) through (n, 2n) reactions with a PMMA plate placed below the patient. After field delivery, the plate is retrieved from the vault and imaged using a reader that detects annihilation photons. The spatial pattern of activity produced in the PMMA plate provides information to reconstruct themore » neutron fluence map needed to confirm treatment delivery. Methods: We used MCNP to simulate the accumulation of 11C activity in a slab of PMMA 2 mm thick, and GATE was used to simulate the sensitivity and spatial resolution of a prototype imaging system. BGO crystal thicknesses of 1 cm, 2 cm and 3 cm were simulated with detector separations of 2 cm. Crystal pitches of 2 mm and 4 mm were evaluated. Back-projection of the events was used to create a planar image. The spatial resolution was taken to be the FWHM of the reconstructed point source image. Results: The system sensitivity for a point source in the center of the field of view was found to range from 58% for 1 cm thick BGO with 2 mm crystal pitch to 74% for the 3 cm thick BGO crystals with 4 mm crystal pitch. The spatial resolution at the center of the field of view was found to be 1.5 mm for the system with 2 mm crystal pitch and 2.8 mm for the system with the 4 mm crystal pitch. Conclusion: BGO crystals with 4 mm crystal pitch and 3 cm length would offer the best sensitivity reader.« less

Magnetically-assembled micro/mesopixels exhibiting light intensity enhancement in the (012) planes of fish guanine crystals

NASA Astrophysics Data System (ADS)

Chikashige, T.; Iwasaka, M.

2018-05-01

In this study, a new method was investigated to form light-reflecting dots at the micrometer scale using the magnetic orientations of biogenic guanine crystals obtained from fish skin and scales. The crystal platelets, possessing average dimensions of 5 μm×20 μm×100 nm, were dispersed in water and observed during exposure to vertical magnetic fields up to 5 T. The magnetic field direction was parallel to Earth's gravity, and allowed the narrowest edges of the crystals to be observed at the micrometer scale for the first time. The magnetic orientation process was initiated under conditions where the crystal platelets in water were laid on a glass substrate or where the platelets had random orientations. In the former case, the crystal platelets followed a two-stage magnetic orientation process where, in the first step, the platelet widths were aligned in the magnetic field direction. The second step required rotation of the ˜20-μm-long plates with respect to the Earth's gravity, where application of a 5 T magnetic field enabled their orientation. Real-time images of the magnetically aligning platelets provided new evidence that the crystal platelets also emitted reflected light from a very narrow window at two crystal planes (i.e., (0 1 ¯ 2 ¯ ) and (0 1 ¯ 2 )). In the latter case with random platelet orientation, spatially-condensed light-reflecting dots appeared while the guanine crystal platelets were floating and maintaining their orientation. The technique developed for controlling light-reflecting microscale objects in an aqueous medium can be applied to produce a type of microfluidic optical tool.

Tuning the functional properties of PMN-PT single crystals via doping and thermoelectrical treatments

NASA Astrophysics Data System (ADS)

Luo, Laihui; Dietze, Matthias; Solterbeck, Claus-Henning; Luo, Haosu; Es-Souni, Mohammed

2013-12-01

Single crystals based on solid solutions of lead-magnesium-niobate (PMN) and lead titanate (PT) have emerged as highly promising multifunctional systems combining piezoelectric, pyroelectric, and electro-optic properties that surpass by far those of the best known lead-zirkonium-titanate ceramics. In this paper we present new findings on how the phase transition temperature and the dielectric and ferroelectric properties can be tuned depending on crystal composition, orientation, and thermoelectrical treatment. Mn-doped and pure 0.72PbMg1/3Nb2/3O3-0.28PbTiO3 (0.72PMN-0.28PT) single crystals with ⟨111⟩ and ⟨001⟩ orientations were investigated. A special attention was devoted to field cooling (FC), i.e., cooling under electric field from different temperatures. The results illustrate different findings that were not reported before: the Curie temperature, i.e., ferroelectric-paraelectric transition temperature, is enhanced after field cooling of the Mn-doped, ⟨001⟩-oriented crystal while such a shift is not observed in the ⟨111⟩-oriented and the non-doped crystals. In addition, substantial polarization suppression occurs in the Mn-doped crystals upon FC from high temperature regardless of orientation. Based on piezoforce microscopy of the domain structure that shows suppression of domain growth following field cooling from 200 °C, we propose a mechanism for polarization suppression based on domain pinning by charged defects. The practical importance of our results lies in showing the opportunity offered by a proper choice of crystal composition and poling conditions for tuning the functional properties of PMN-PT single crystals for a specific application. This should contribute to the understanding of their properties towards advanced sensor and transducers devices.

Characterization of the propagation in photonic crystal fibers with the scalar-finite element method

NASA Astrophysics Data System (ADS)

Cherbi, L.; Bellalia, A.; Bahloul, L.; Touzene, M.; Lamara, M.

2012-04-01

We are arrived in this work to apply the SC-FEM to PCF to determine the modal field distribution and other important characteristics as normalized frequency, numeric aperture and chromatic dispersion according to the optogeometric parameters of the fiber. We could vanish the chromatic dispersion in the PCF at many low wavelengths because of its large degree of liberty.

Complete matrix properties of [001](c) and [011](c) poled 0.33Pb(In(1/2)Nb(1/2))O(3)-0.38Pb(Mg(1/3)Nb(2/3))O(3)-0.29PbTiO(3) single crystals.

PubMed

Sun, Enwei; Zhang, Rui; Wu, Fengmin; Cao, Wenwu

2013-03-15

The elastic, piezoelectric, and dielectric properties of [001](c) and [011](c) poled 0.33Pb(In(1/2)Nb(1/2))O(3)-0.38Pb(Mg(1/3)Nb(2/3))O(3)-0.29PbTiO(3) single crystals have been fully characterized at room temperature, and the temperature and frequency dependence of the dielectric susceptibility ε(33) were also measured. The depoling temperature of this crystal is more than 20 °C higher than that of the corresponding binary 0.71Pb(Mg(1/3)Nb(2/3))O(3)-0.29PbTiO(3) system. From the measured P-E hysteresis loops, the coercive fields along [001](c) and [011](c) directions have been determined to be 6.0 kV/cm and 6.6 kV/cm, respectively, which indicate that these domain engineered ternary relaxor-based ferroelectric single crystals are excellent candidates for high-power applications.

Dynamics of the Wigner crystal of composite particles

NASA Astrophysics Data System (ADS)

Shi, Junren; Ji, Wencheng

2018-03-01

Conventional wisdom has long held that a composite particle behaves just like an ordinary Newtonian particle. In this paper, we derive the effective dynamics of a type-I Wigner crystal of composite particles directly from its microscopic wave function. It indicates that the composite particles are subjected to a Berry curvature in the momentum space as well as an emergent dissipationless viscosity. While the dissipationless viscosity is the Chern-Simons field counterpart for the Wigner crystal, the Berry curvature is a feature not presented in the conventional composite fermion theory. Hence, contrary to general belief, composite particles follow the more general Sundaram-Niu dynamics instead of the ordinary Newtonian one. We show that the presence of the Berry curvature is an inevitable feature for a dynamics conforming to the dipole picture of composite particles and Kohn's theorem. Based on the dynamics, we determine the dispersions of magnetophonon excitations numerically. We find an emergent magnetoroton mode which signifies the composite-particle nature of the Wigner crystal. It occurs at frequencies much lower than the magnetic cyclotron frequency and has a vanishing oscillator strength in the long-wavelength limit.

High-quality single-crystal thulium iron garnet films with perpendicular magnetic anisotropy by off-axis sputtering

NASA Astrophysics Data System (ADS)

Wu, C. N.; Tseng, C. C.; Lin, K. Y.; Cheng, C. K.; Yeh, S. L.; Fanchiang, Y. T.; Hong, M.; Kwo, J.

2018-05-01

High-quality single-crystal thulium iron garnet (TmIG) films of 10-30 nm thick were grown by off-axis sputtering at room temperature (RT) followed by post-annealing. X-ray photoelectron spectroscopy (XPS) was employed to determine the TmIG film composition to optimize the growth conditions, along with the aid of x-ray diffraction (XRD) structural analysis and atomic force microscope (AFM) for surface morphology. The optimized films exhibited perpendicular magnetic anisotropy (PMA) and the saturation magnetization at RT was ˜99 emu/cm3, close to the RT bulk value ˜110 emu/cm3 with a very low coercive field of ˜2.4 Oe. We extracted the H⊥ of 1734 Oe and the peak-to-peak linewidth ΔH of ferromagnetic resonance are only about 99 Oe, significantly lower than that of PLD grown TmIG film and bulk single crystals. The high-quality sputtered single-crystal TmIG films show great potential to be integrated with topological insulators or heavy metals with strong spin-orbit coupling for spintronic applications.

Magnetostriction of Hexagonal HoMnO3 and YMnO3 Single Crystals

NASA Astrophysics Data System (ADS)

Pavlovskii, N. S.; Dubrovskii, A. A.; Nikitin, S. E.; Semenov, S. V.; Terent'ev, K. Yu.; Shaikhutdinov, K. A.

2018-03-01

We report on the magnetostriction of hexagonal HoMnO3 and YMnO3 single crystals in a wide range of applied magnetic fields (up to H = 14 T) at all possible combinations of the mutual orientations of magnetic field H and magnetostriction Δ L/L. The measured Δ L/L( H, T) data agree well with the magnetic phase diagram of the HoMnO3 single crystal reported previously by other authors. It is shown that the nonmonotonic behavior of magnetostriction of the HoMnO3 crystal is caused by the Ho3+ ion; the magnetic moment of the Mn3+ ion parallel to the hexagonal crystal axis. The anomalies established from the magnetostriction measurements of HoMnO3 are consistent with the phase diagram of these compounds. For the isostructural YMnO3 single crystal with a nonmagnetic rare-earth ion, the Δ L/L( H, T) dependences are described well by a conventional quadratic law in a wide temperature range (4-100 K). In addition, the magnetostriction effect is qualitatively estimated with regard to the effect of the crystal electric field on the holmium ion.

High purith low defect FZ silicon

NASA Technical Reports Server (NTRS)

Kimura, H.; Robertson, G.

1985-01-01

The most common intrinsic defects in dislocation-free float zone (FZ) silicon crystals are the A- and B-type swirl defects. The mechanisms of their formation and annihilation have been extensively studied. Another type of defect in dislocation-free FZ crystals is referred to as a D-type defect. Concentrations of these defects can be minimized by optimizing the growth conditions, and the residual swirls can be reduced by the post-growth extrinsic gettering process. Czochralski (Cz) silicon wafers are known to exhibit higher resistance to slip and warpage due to thermal stress than do FZ wafers. The Cz crystals containing dislocations are more resistant to dislocation movement than dislocated FZ crystals because of the locking of dislocations by oxygen atoms present in the Cz crystals. Recently a transverse magnetic field was applied during the FZ growth of extrinsic silicon. Resultant flow patterns, as revealed by striation etching and spreading resistance in Ga-doped silicon crystals, indicate strong effects of the transverse magnetic field on the circulation within the melt. At fields of 5500 gauss, the fluid flow in the melt volume is so altered as to affect the morphology of the growing crystal.

Eliminating Crystals in Non-Oxide Optical Fiber Preforms and Optical Fibers

NASA Technical Reports Server (NTRS)

Tucker, Dennis S.; LaPointe, Michael R.

2012-01-01

Non ]oxide fiber optics such as heavy metal fluoride and chalcogenide glasses are extensively used in infrared transmitting applications such as communication systems, chemical sensors, and laser fiber guides for cutting, welding and medical surgery. The addition of rare earths such as erbium, enable these materials to be used as fiber laser and amplifiers. Some of these glasses however are very susceptible to crystallization. Even small crystals can lead to light scatter and a high attenuation coefficient, limiting their usefulness. Previously two research teams found that microgravity suppressed crystallization in heavy metal fluoride glasses. Looking for a less expensive method to suppress crystallization, ground based research was performed utilizing an axial magnetic field. The experiments revealed identical results to those obtained via microgravity processing. This research then led to a patented process for eliminating crystals in optical fiber preforms and the resulting optical fibers. In this paper, the microgravity results will be reviewed as well as patents and papers relating to the use of magnetic fields in various material and glass processing applications. Finally our patent to eliminate crystals in non ]oxide glasses utilizing a magnetic field will be detailed.

Optimization of Pockels electric field in transverse modulated optical voltage sensor

NASA Astrophysics Data System (ADS)

Huang, Yifan; Xu, Qifeng; Chen, Kun-Long; Zhou, Jie

2018-05-01

This paper investigates the possibilities of optimizing the Pockels electric field in a transverse modulated optical voltage sensor with a spherical electrode structure. The simulations show that due to the edge effect and the electric field concentrations and distortions, the electric field distributions in the crystal are non-uniform. In this case, a tiny variation in the light path leads to an integral error of more than 0.5%. Moreover, a 2D model cannot effectively represent the edge effect, so a 3D model is employed to optimize the electric field distributions. Furthermore, a new method to attach a quartz crystal to the electro-optic crystal along the electric field direction is proposed to improve the non-uniformity of the electric field. The integral error is reduced therefore from 0.5% to 0.015% and less. The proposed method is simple, practical and effective, and it has been validated by numerical simulations and experimental tests.

Correlations Between Structural and Magnetic Properties of Co2 FeSi Heusler-Alloy Thin Films

NASA Astrophysics Data System (ADS)

Zhu, Weihua; Wu, Di; Zhao, Bingcheng; Zhu, Zhendong; Yang, Xiaodi; Zhang, Zongzhi; Jin, Q. Y.

2017-09-01

The structural and magnetic properties are the most important parameters for practical applications of Co-based Heusler alloys. The correlations between the crystallization degree, chemical order, magnetic coercivity, saturation magnetization (MS ), and in-plane magnetic anisotropies are systematically investigated for Co2FeSi (CFS) films fabricated at different temperatures (TS ). XRD shows that the CFS layer changes progressively from a disordered crystal structure into a chemically disordered A 2 structure and further into a chemically ordered B 2 and even L 21 structures when increasing TS up to 480 °C . Meanwhile, the static angular remanence magnetization curves show a clear transition of magnetic anisotropy from twofold to fourfold symmetry, due to the competition effect between the uniaxial anisotropy field HU and biaxial anisotropy field HB . The HU value is found to be weakly dependent on TS , while HB shows a continuous enhancement at TS>300 °C , implying that the enhancement of the L 21 ordering degree would not weaken the biaxial anisotropy. The varying trend of HB is similar to MS , which can be respectively attributed to the improved crystal structure and chemical order. The anisotropic fields and their variation behaviors determined by a vibrating sample magnetometer are highly consistent with the results by a time-resolved magneto-optical Kerr effect study. Our findings provide a better understanding of the structural ordering and magnetic anisotropy, which will be helpful for designing advanced spintronic devices.

Specific features of thermal and magnetic properties of Yb B50 at low temperatures

NASA Astrophysics Data System (ADS)

Novikov, V. V.; Zhemoedov, N. A.; Matovnikov, A. V.; Mitroshenkov, N. V.; Popova, E. A.; Tolstosheev, A. K.; Malkin, B. Z.; Bud'ko, S. L.

2018-05-01

Heat capacity, thermal expansion, and magnetization of ytterbium boride Yb B50 were studied at temperatures 0.6-300 K, 5-300 K, and 2-300 K, respectively. We revealed two smooth peaks at about 4.0 and 60 K in the temperature dependence of the heat capacity. A comparison with the heat capacity of the diamagnetic isostructural boride Lu B50 shows that these anomalies can be attributed to excitations in the ytterbium sublattice (Schottky anomalies). A scheme for splitting of the ground F 7 /2 2 multiplet of Y b3 + ions in the crystal field is proposed. Reliability of the proposed crystal-field energies of the Y b3 + ions is confirmed by the analysis of temperature dependencies of magnetic susceptibility and magnetization in applied magnetic fields up to 55 kOe. A clear anisotropy of the thermal expansion and a negative expansion within a wide temperature range (40-185 K) were observed. Assuming that this anomaly of the thermal expansion in higher borides is caused by the specific thermal evolution of a crystal lattice observed earlier, in particular, in Lu B50 , and the interaction of rare-earth ions with lattice strains, we have determined phenomenological Grüneisen parameters which characterize effects due to thermal transitions of Y b3 + ions between the ground and excited states. A phase transition of Yb B50 to any magnetically ordered state was not observed down to the lowest temperatures of experiments.

[Supercomputer investigation of the protein-ligand system low-energy minima].

PubMed

Oferkin, I V; Sulimov, A V; Katkova, E V; Kutov, D K; Grigoriev, F V; Kondakova, O A; Sulimov, V B

2015-01-01

The accuracy of the protein-ligand binding energy calculations and ligand positioning is strongly influenced by the choice of the docking target function. This work demonstrates the evaluation of the five different target functions used in docking: functions based on MMFF94 force field and functions based on PM7 quantum-chemical method accounting or without accounting the implicit solvent model (PCM, COSMO or SGB). For these purposes the ligand positions corresponding to the minima of the target function and the experimentally known ligand positions in the protein active site (crystal ligand positions) were compared. Each function was examined on the same test-set of 16 protein-ligand complexes. The new parallelized docking program FLM based on Monte Carlo search algorithm was developed to perform the comprehensive low-energy minima search and to calculate the protein-ligand binding energy. This study demonstrates that the docking target function based on the MMFF94 force field can be used to detect the crystal or near crystal positions of the ligand by the finding the low-energy local minima spectrum of the target function. The importance of solvent accounting in the docking process for the accurate ligand positioning is also shown. The accuracy of the ligand positioning as well as the correlation between the calculated and experimentally determined protein-ligand binding energies are improved when the MMFF94 force field is substituted by the new PM7 method with implicit solvent accounting.

Numerical Simulation of Nanostructure Growth

NASA Technical Reports Server (NTRS)

Hwang, Helen H.; Bose, Deepak; Govindan, T. R.; Meyyappan, M.

2004-01-01

Nanoscale structures, such as nanowires and carbon nanotubes (CNTs), are often grown in gaseous or plasma environments. Successful growth of these structures is defined by achieving a specified crystallinity or chirality, size or diameter, alignment, etc., which in turn depend on gas mixture ratios. pressure, flow rate, substrate temperature, and other operating conditions. To date, there has not been a rigorous growth model that addresses the specific concerns of crystalline nanowire growth, while demonstrating the correct trends of the processing conditions on growth rates. Most crystal growth models are based on the Burton, Cabrera, and Frank (BCF) method, where adatoms are incorporated into a growing crystal at surface steps or spirals. When the supersaturation of the vapor is high, islands nucleate to form steps, and these steps subsequently spread (grow). The overall bulk growth rate is determined by solving for the evolving motion of the steps. Our approach is to use a phase field model to simulate the growth of finite sized nanowire crystals, linking the free energy equation with the diffusion equation of the adatoms. The phase field method solves for an order parameter that defines the evolving steps in a concentration field. This eliminates the need for explicit front tracking/location, or complicated shadowing routines, both of which can be computationally expensive, particularly in higher dimensions. We will present results demonstrating the effect of process conditions, such as substrate temperature, vapor supersaturation, etc. on the evolving morphologies and overall growth rates of the nanostructures.

The field theory of specific heat

NASA Astrophysics Data System (ADS)

Gusev, Yu. V.

2016-01-01

Finite temperature quantum field theory in the heat kernel method is used to study the heat capacity of condensed matter. The lattice heat is treated à la P. Debye as energy of the elastic (sound) waves. The dimensionless functional of free energy is re-derived with a cut-off parameter and used to obtain the specific heat of crystal lattices. The new dimensionless thermodynamical variable is formed as Planck's inverse temperature divided by the lattice constant. The dimensionless constant, universal for the class of crystal lattices, which determines the low temperature region of molar specific heat, is introduced and tested with the data for diamond lattice crystals. The low temperature asymptotics of specific heat is found to be the fourth power in temperature instead of the cubic power law of the Debye theory. Experimental data for the carbon group elements (silicon, germanium) and other materials decisively confirm the quartic law. The true low temperature regime of specific heat is defined by the surface heat, therefore, it depends on the geometrical characteristics of the body, while the absolute zero temperature limit is geometrically forbidden. The limit on the growth of specific heat at temperatures close to critical points, known as the Dulong-Petit law, appears from the lattice constant cut-off. Its value depends on the lattice type and it is the same for materials with the same crystal lattice. The Dulong-Petit values of compounds are equal to those of elements with the same crystal lattice type, if one mole of solid state matter were taken as the Avogadro number of the composing atoms. Thus, the Neumann-Kopp law is valid only in some special cases.

Machine learning for the structure–energy–property landscapes of molecular crystals† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc04665k

PubMed Central

Yang, Jack; Campbell, Joshua E.; Day, Graeme M.; Ceriotti, Michele

2017-01-01

Molecular crystals play an important role in several fields of science and technology. They frequently crystallize in different polymorphs with substantially different physical properties. To help guide the synthesis of candidate materials, atomic-scale modelling can be used to enumerate the stable polymorphs and to predict their properties, as well as to propose heuristic rules to rationalize the correlations between crystal structure and materials properties. Here we show how a recently-developed machine-learning (ML) framework can be used to achieve inexpensive and accurate predictions of the stability and properties of polymorphs, and a data-driven classification that is less biased and more flexible than typical heuristic rules. We discuss, as examples, the lattice energy and property landscapes of pentacene and two azapentacene isomers that are of interest as organic semiconductor materials. We show that we can estimate force field or DFT lattice energies with sub-kJ mol–1 accuracy, using only a few hundred reference configurations, and reduce by a factor of ten the computational effort needed to predict charge mobility in the crystal structures. The automatic structural classification of the polymorphs reveals a more detailed picture of molecular packing than that provided by conventional heuristics, and helps disentangle the role of hydrogen bonded and π-stacking interactions in determining molecular self-assembly. This observation demonstrates that ML is not just a black-box scheme to interpolate between reference calculations, but can also be used as a tool to gain intuitive insights into structure–property relations in molecular crystal engineering. PMID:29675175

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

Crystallization screening: the influence of history on current practice

PubMed Central

Luft, Joseph R.; Newman, Janet; Snell, Edward H.

2014-01-01

While crystallization historically predates crystallography, it is a critical step for the crystallographic process. The rich history of crystallization and how that history influences current practices is described. The tremendous impact of crystallization screens on the field is discussed. PMID:25005076

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

NASA Astrophysics Data System (ADS)

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

2012-05-01

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

Molecular reorientation of a nematic liquid crystal by thermal expansion

PubMed Central

Kim, Young-Ki; Senyuk, Bohdan; Lavrentovich, Oleg D.

2012-01-01

A unique feature of nematic liquid crystals is orientational order of molecules that can be controlled by electromagnetic fields, surface modifications and pressure gradients. Here we demonstrate a new effect in which the orientation of nematic liquid crystal molecules is altered by thermal expansion. Thermal expansion (or contraction) causes the nematic liquid crystal to flow; the flow imposes a realigning torque on the nematic liquid crystal molecules and the optic axis. The optical and mechanical responses activated by a simple temperature change can be used in sensing, photonics, microfluidic, optofluidic and lab-on-a-chip applications as they do not require externally imposed gradients of temperature, pressure, surface realignment, nor electromagnetic fields. The effect has important ramifications for the current search of the biaxial nematic phase as the optical features of thermally induced structural changes in the uniaxial nematic liquid crystal mimic the features expected of the biaxial nematic liquid crystal. PMID:23072803

Field emission investigations of single crystal LaB6 FEA fabricated by femtosecond laser direct writing

NASA Astrophysics Data System (ADS)

Liu, Hongliang; Zhang, Xin; Li, Yuancheng; Xiao, Yixin; Zhang, Wei; Zhang, Jiu-Xing

2018-04-01

The femtosecond laser direct writing method has been used to fabricate the single crystal lanthanum hexaboride (LaB6) field-emission tip arrays (FEAs). The morphologies, structure phase, and field emission of the single crystal LaB6 FEAs are systematically studied. The nanostructures on the surface of tips with the LaB6 phase were formed, resulting in favor of improving field emission, particularly for samples with the nanohill shaped bulges having the size of about 100 nm. The produced single crystal LaB6 FEAs have a uniform structure and a controllable curvature radius of about 0.5-3.0 μm. The FEAs with a curvature radius of about 0.5 μm as field emitters have the best field emission performance, which the field emission turns on and the threshold electric fields are as low as 2.2 and 3.8 V/μm with an emission current of 1.0 A/cm2 at 8.0 V/μm, and the emission current exhibits high stability. These indicate that the processed LaB6 FEAs have a good prospect applied in vacuum microelectronic devices and the simple femtosecond laser direct writing method could lead to an approach for the development of electron sources.

On the search for the electric dipole moment of strange and charm baryons at LHC

NASA Astrophysics Data System (ADS)

Botella, F. J.; Garcia Martin, L. M.; Marangotto, D.; Martinez Vidal, F.; Merli, A.; Neri, N.; Oyanguren, A.; Ruiz Vidal, J.

2017-03-01

Permanent electric dipole moments (EDMs) of fundamental particles provide powerful probes for physics beyond the Standard Model. We propose to search for the EDM of strange and charm baryons at LHC, extending the ongoing experimental program on the neutron, muon, atoms, molecules and light nuclei. The EDM of strange Λ baryons, selected from weak decays of charm baryons produced in p p collisions at LHC, can be determined by studying the spin precession in the magnetic field of the detector tracking system. A test of CPT symmetry can be performed by measuring the magnetic dipole moment of Λ and \\overline{Λ} baryons. For short-lived {Λ} ^+c and {Ξ} ^+c baryons, to be produced in a fixed-target experiment using the 7 TeV LHC beam and channeled in a bent crystal, the spin precession is induced by the intense electromagnetic field between crystal atomic planes. The experimental layout based on the LHCb detector and the expected sensitivities in the coming years are discussed.

Theoretical Modeling of Electromagnetic Field from Electron Bunches in Periodic Wire Medium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chuchurka, S.; Benediktovitch, A.; Galyamin, S. N.

The interaction of relativistic electrons with periodic conducting structures results in radiation via a number of mechanisms. In case of crystals one obtains parametric X-ray radiation, its frequency is determined by the distance between crystallographic planes and the direction of electron beam. If instead of a crystal one considers a periodic structure of metallic wires with the spacing of the order of mm, it is plausible to expect the emission of radiation of a similar nature (“diffraction response”) at THz frequencies. Additionally, a “long-wave” radiation will occur in this case with wavelengths much larger then structure periods. In this contribution,more » we present different theoretical approaches for describing the electromagnetic radiation field from prolonged electron bunch propagated in the lattice of metallic wires. The validity of these analytical descriptions is checked by numerical simulations. We discuss the possible applications of aforementioned structure as sources of coherent THz radiation.« less

Fluorescence properties of Eu3+ ions doped borate and fluoroborate glasses containing lithium, zinc and lead.

PubMed

Venkatramu, V; Babu, P; Jayasankar, C K

2006-02-01

The influence of glass composition on the fluorescence properties of Eu3+ ions doped borate and fluoroborate glasses modified with Li+, Zn2+ and Pb2+ cations have been investigated. The magnitude of splittings of 7F1 levels are analyzed using crystal-field (CF) analysis. The relative intensities of 5D0 --> 7F2 to 5D0 --> 7F1 transitions, crystal-field strength parameters and decay times of the 5D0 level have been determined and are found to be lower for Pb based glasses than those of Zn/Li based glasses. The lifetimes of 5D0 level are found to increase when borate glasses are modified with pure fluorides than with oxides and oxyfluorides. The fluorescence decay of 5D0 level fits perfect single exponential in the Eu3+:glass systems studied which indicates the absence of energy transfer between Eu3+ ions in these glasses.

EPR and optical studies of Cu2+ ions doped in magnesium potassium phosphate hexahydrate single crystals

NASA Astrophysics Data System (ADS)

Kripal, Ram; Shukla, Santwana

2011-03-01

An electron paramagnetic resonance (EPR) study of Cu2+-doped magnesium potassium phosphate is performed at liquid nitrogen temperature (LNT; 77 K). Two magnetically non-equivalent sites for Cu2+ are observed. The spin Hamiltonian parameters are determined with the fitting of spectra to a rhombic symmetry crystalline field. The ground state wavefunction is also determined. The g-anisotropy is evaluated and compared with the experimental value. With the help of an optical study, the nature of the bonding in the complex is discussed.

History and Solution of the Phase Problem in theTheory of Structure Determination of Crystals from X-ray Diffraction Experiments

ScienceCinema

Wolf, Emil [University of Rochester, Rochester, New York, United States

2017-12-09

Since the pioneering work of Max von Laue on interference and diffraction of x-rays, carried out almost 100 years ago, numerous attempts have been made to determine structures of crystalline media from x-ray diffraction experiments. The usefulness of all of them has been limited by the inability of measuring phases of the diffracted beams. In this talk, the most important research carried out in this field will be reviewed and a recently obtained solution of the phase problem will be presented.

Increasing the switching speed of liquid crystal devices with magnetic nanorods

NASA Astrophysics Data System (ADS)

Garbovskiy, Yu.; Baptist, J. R.; Thompson, J.; Hunter, T.; Lim, J. H.; Gi Min, Seong; Wiley, J. B.; Malkinski, L. M.; Glushchenko, A.; Celinski, Z.

2012-10-01

Liquid crystal (LC)/magnetic nanorods colloids were fabricated and tested using a magneto-optical setup. These thermotropic ferronematics do not show any signs of macroscopic aggregation, exhibit enhanced magnetic sensitivity, and faster time response in the simultaneous presence of crossed electric and magnetic fields. Magnetic nanorods increase an effective magnetic anisotropy of the colloid and decrease magnetic Freedericksz threshold. Applying a magnetic field along the direction perpendicular to the applied electric field leads to a decrease of the time OFF by a factor of 6 for pure liquid crystals, and by a factor of 9—for ferronematics.

Field alignment of bent-core smectic liquid crystals for analog optical phase modulation

NASA Astrophysics Data System (ADS)

Shen, Y.; Goodhew, L.; Shao, R.; Moran, M.; Korblova, E.; Walba, D. M.; Clark, N. A.; Maclennan, J. E.; Rudquist, P.

2015-05-01

A general method for aligning bent-core smectic liquid crystal materials is described. Alternating electric fields between interdigitated electrodes patterned on one cell surface create torques on the liquid crystal that result in uniform "bookshelf" orientation of the smectic layers. The aligned cell can then be driven in the conventional way by applying an electric field between all of the stripe electrodes connected together and a monolithic electrode on the other cell surface. Fast, analog, optical phase-only modulation is demonstrated in a device containing a polar, bent-core SmAPF material aligned using this technique.

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

NASA Astrophysics Data System (ADS)

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

2013-07-01

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

A pseudo-tetragonal tungsten bronze superstructure: a combined solution of the crystal structure of K6.4(Nb,Ta)(36.3)O94 with advanced transmission electron microscopy and neutron diffraction.

PubMed

Paria Sena, Robert; Babaryk, Artem A; Khainakov, Sergiy; Garcia-Granda, Santiago; Slobodyanik, Nikolay S; Van Tendeloo, Gustaaf; Abakumov, Artem M; Hadermann, Joke

2016-01-21

The crystal structure of the K6.4Nb28.2Ta8.1O94 pseudo-tetragonal tungsten bronze-type oxide was determined using a combination of X-ray powder diffraction, neutron diffraction and transmission electron microscopy techniques, including electron diffraction, high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), annular bright field STEM (ABF-STEM) and energy-dispersive X-ray compositional mapping (STEM-EDX). The compound crystallizes in the space group Pbam with unit cell parameters a = 37.468(9) Å, b = 12.493(3) Å, c = 3.95333(15) Å. The structure consists of corner sharing (Nb,Ta)O6 octahedra forming trigonal, tetragonal and pentagonal tunnels. All tetragonal tunnels are occupied by K(+) ions, while 1/3 of the pentagonal tunnels are preferentially occupied by Nb(5+)/Ta(5+) and 2/3 are occupied by K(+) in a regular pattern. A fractional substitution of K(+) in the pentagonal tunnels by Nb(5+)/Ta(5+) is suggested by the analysis of the HAADF-STEM images. In contrast to similar structures, such as K2Nb8O21, also parts of the trigonal tunnels are fractionally occupied by K(+) cations.

Remote sensing of three-dimensional cirrus clouds from satellites: application to continuous-wave laser atmospheric transmission and backscattering.

PubMed

Liou, K N; Ou, Szu-Cheng; Takano, Yoshihide; Cetola, Jeffrey

2006-09-10

A satellite remote sensing methodology has been developed to retrieve 3D ice water content (IWC) and mean effective ice crystal size of cirrus clouds from satellite data on the basis of a combination of the conventional retrieval of cloud optical depth and particle size in a horizontal plane and a parameterization of the vertical cloud profile involving temperature from sounding and/or analysis. The inferred 3D cloud fields of IWC and mean effective ice crystal size associated with two impressive cirrus clouds that occurred in the vicinity of northern Oklahoma on 18 April 1997 and 9 March 2000, obtained from the Department of Energy's Atmospheric Radiation Measurement Program, have been validated against the ice crystal size distributions that were collected independently from collocated and coincident aircraft optical probe measurements. The 3D cloud results determined from satellite data have been applied to the simulation of cw laser energy propagation, and we show the significance of 3D cloud geometry and inhomogeneity and spherical atmosphere on the transmitted and backscattered laser powers. Finally, we demonstrate that the 3D cloud fields derived from satellite remote sensing can be used for the 3D laser transmission and backscattering model for tactical application.

Spectral characteristics of the iron oxides with application to the Martian bright region mineralogy

NASA Technical Reports Server (NTRS)

Sherman, D. M.; Burns, R. G.; Mee Burns, V.

1982-01-01

Reflectance spectra of eight polymorphs of FeOOH and Fe2O3 are determined in order to clarify the nature and significance of the iron oxide mineralogy on Mars. The effect of other components that might interfere with iron oxide absorption features is qualitatively constrained through the use of the Kebulka-Munk theory. It is found that the effect of temperature complicates the identification of a given Fe(3+) phase based on the position of the 6A1-4T1 absorption feature. While the Fe(3+) crystal field transitions are spin forbidden, most of the iron oxide polymorphs exhibit anomalously intense crystal field absorption features due to magnetic coupling between adjacent FeO6 octahedra. It is suggested that the resulting deviations from observed remotely sensed reflectance spectra of Mars may provide a basis for the exclusion of many iron oxide phases as significant components of the Martian Fe(3+) mineralogy. A comparison of these results with the visible region spectra of Martian bright regions indicates that the predominant Fe(3+)-bearing phase may be a magnetically disordered material, such as amorphous gels, some ferric sulphates, and other minerals in which Fe(3+) ions in the crystal structure are not magnetically coupled.

On Characterization of Barium Rare-Earth Antimonates: Ordered Perovskites Suitable as Substrates for Superconducting Films

NASA Astrophysics Data System (ADS)

Alonso, J. A.; Cascales, C.; García Casado, P.; Rasines, I.

1997-02-01

The crystal structure of the ordered perovskites Ba2(RSb)O6(R=Y, Ho) is refined from neutron powder diffraction data in the space groupFmoverline3m(No. 225),Z=4, with Ba at 8(c),Rat 4(b), Sb at 4(a), oxygen at 24(e), oxygen positional parameterx=0.2636(2) forR=Y and Ho, and unit cell dimensions ofa/Å=8.4240(3) and 8.4170(2) forR=Y and Ho, respectively. Bond-valence analysis explains how the highly covalent Sb-O bonds determine the overall structure of these perovskites in whichR-O and Ba-O bonds are under compressive and tensile stresses, respectively. The magnetic susceptibility of Ba2(HoSb)O6has been measured in the temperature range 2-350 K. From ana prioriestimation of the crystal-field parameters corresponding to the point site symmetry of the rare-earth,Oh, and using the wave functions associated with the energy levels obtained, the paramagnetic susceptibility and its evolution vs temperature is simulated according to the van Vleck formalism. The observed deviation from the Curie-Weiss behavior at low temperature, very well reproduced, reflects the splitting of the ground state of this cation under the influence of the crystal field.

Remote sensing of three-dimensional cirrus clouds from satellites: application to continuous-wave laser atmospheric transmission and backscattering

NASA Astrophysics Data System (ADS)

Liou, K. N.; Ou, Szu-Cheng; Takano, Yoshihide; Cetola, Jeffrey

2006-09-01

A satellite remote sensing methodology has been developed to retrieve 3D ice water content (IWC) and mean effective ice crystal size of cirrus clouds from satellite data on the basis of a combination of the conventional retrieval of cloud optical depth and particle size in a horizontal plane and a parameterization of the vertical cloud profile involving temperature from sounding and/or analysis. The inferred 3D cloud fields of IWC and mean effective ice crystal size associated with two impressive cirrus clouds that occurred in the vicinity of northern Oklahoma on 18 April 1997 and 9 March 2000, obtained from the Department of Energy's Atmospheric Radiation Measurement Program, have been validated against the ice crystal size distributions that were collected independently from collocated and coincident aircraft optical probe measurements. The 3D cloud results determined from satellite data have been applied to the simulation of cw laser energy propagation, and we show the significance of 3D cloud geometry and inhomogeneity and spherical atmosphere on the transmitted and backscattered laser powers. Finally, we demonstrate that the 3D cloud fields derived from satellite remote sensing can be used for the 3D laser transmission and backscattering model for tactical application.

Strain-relief by single dislocation loops in calcite crystals grown on self-assembled monolayers

DOE PAGES

Ihli, Johannes; Clark, Jesse N.; Côté, Alexander S.; ...

2016-06-15

Most of our knowledge of dislocation-mediated stress relaxation during epitaxial crystal growth comes from the study of inorganic heterostructures. In this study, we use Bragg coherent diffraction imaging to investigate a contrasting system, the epitaxial growth of calcite (CaCO 3) crystals on organic self-assembled monolayers, where these are widely used as a model for biomineralization processes. The calcite crystals are imaged to simultaneously visualize the crystal morphology and internal strain fields. Our data reveal that each crystal possesses a single dislocation loop that occupies a common position in every crystal. The loops exhibit entirely different geometries to misfit dislocations generatedmore » in conventional epitaxial thin films and are suggested to form in response to the stress field, arising from interfacial defects and the nanoscale roughness of the substrate. In conclusion, this work provides unique insight into how self-assembled monolayers control the growth of inorganic crystals and demonstrates important differences as compared with inorganic substrates.« less

A drunken search in crystallization space

PubMed Central

Fazio, Vincent J.; Peat, Thomas S.; Newman, Janet

2014-01-01

The REMARK280 field of the Protein Data Bank is the richest open source of successful crystallization information. The REMARK280 field is optional and currently uncurated, so significant effort needs to be applied to extract reliable data. There are well over 15 000 crystallization conditions available commercially from 12 different vendors. After putting the PDB crystallization information and the commercial cocktail data into a consistent format, these data are used to extract information about the overlap between the two sets of crystallization conditions. An estimation is made as to which commercially available conditions are most appropriate for producing well diffracting crystals by looking at which commercial conditions are found unchanged (or almost unchanged) in the PDB. Further analyses include which commercial kits are the most appropriate for shotgun or more traditional approaches to crystallization screening. This analysis suggests that almost 40% of the crystallization conditions found currently in the PDB are identical or very similar to a commercial condition. PMID:25286930

Strain-relief by single dislocation loops in calcite crystals grown on self-assembled monolayers

PubMed Central

Ihli, Johannes; Clark, Jesse N.; Côté, Alexander S.; Kim, Yi-Yeoun; Schenk, Anna S.; Kulak, Alexander N.; Comyn, Timothy P.; Chammas, Oliver; Harder, Ross J.; Duffy, Dorothy M.; Robinson, Ian K.; Meldrum, Fiona C.

2016-01-01

Most of our knowledge of dislocation-mediated stress relaxation during epitaxial crystal growth comes from the study of inorganic heterostructures. Here we use Bragg coherent diffraction imaging to investigate a contrasting system, the epitaxial growth of calcite (CaCO3) crystals on organic self-assembled monolayers, where these are widely used as a model for biomineralization processes. The calcite crystals are imaged to simultaneously visualize the crystal morphology and internal strain fields. Our data reveal that each crystal possesses a single dislocation loop that occupies a common position in every crystal. The loops exhibit entirely different geometries to misfit dislocations generated in conventional epitaxial thin films and are suggested to form in response to the stress field, arising from interfacial defects and the nanoscale roughness of the substrate. This work provides unique insight into how self-assembled monolayers control the growth of inorganic crystals and demonstrates important differences as compared with inorganic substrates. PMID:27302863

Aligned Immobilization of Proteins Using AC Electric Fields.

PubMed

Laux, Eva-Maria; Knigge, Xenia; Bier, Frank F; Wenger, Christian; Hölzel, Ralph

2016-03-01

Protein molecules are aligned and immobilized from solution by AC electric fields. In a single-step experiment, the enhanced green fluorescent proteins are immobilized on the surface as well as at the edges of planar nanoelectrodes. Alignment is found to follow the molecules' geometrical shape with their longitudinal axes parallel to the electric field. Simultaneous dielectrophoretic attraction and AC electroosmotic flow are identified as the dominant forces causing protein movement and alignment. Molecular orientation is determined by fluorescence microscopy based on polarized excitation of the proteins' chromophores. The chromophores' orientation with respect to the whole molecule supports X-ray crystal data. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

ptchg: A FORTRAN program for point-charge calculations of electric field gradients (EFGs)

NASA Astrophysics Data System (ADS)

Spearing, Dane R.

1994-05-01

ptchg, a FORTRAN program, has been developed to calculate electric field gradients (EFG) around an atomic site in crystalline solids using the point-charge direct-lattice summation method. It uses output from the crystal structure generation program Atoms as its input. As an application of ptchg, a point-charge calculation of the EFG quadrupolar parameters around the oxygen site in SiO 2 cristobalite is demonstrated. Although point-charge calculations of electric field gradients generally are limited to ionic compounds, the computed quadrupolar parameters around the oxygen site in SiO 2 cristobalite, a highly covalent material, are in good agreement with the experimentally determined values from nuclear magnetic resonance (NMR) spectroscopy.

Origin of the magnetoelectric effect in the Cs2FeCl5.D2O compound

NASA Astrophysics Data System (ADS)

Fabelo, Oscar; Rodríguez-Velamazán, J. Alberto; Canadillas-Delgado, Laura; Mazzuca, Lidia; Campo, Javier; Millán, Ángel; Chapon, Laurent C.; Rodríguez-Carvajal, Juan

2017-09-01

Cs2FeCl5.D2O has been identified as a linear magnetoelectric material, although the correlation of this property with the magnetic structures of this compound has not been adequately studied. We have used single-crystal and powder neutron diffraction to obtain detailed information about its nuclear and magnetic structures. From the nuclear structure analysis, we describe the occurrence of a phase transition related to the reorganization of the [FeCl5.D2O] -2 ions and the Cs+ counterion. The magnetic structure was determined at zero magnetic field at 1.8 K using single-crystal diffraction and its temperature evolution was recorded using powder diffraction. The symmetry analysis of the magnetic structure is compatible with the occurrence of the magnetoelectric effect. Moreover, the evolution of the magnetic structure as a function of the external magnetic field has also been studied. The reorientation of the magnetic moments under applied external field along the easy axis (b axis at low temperature) is compatible with the occurrence of a spin-flop transition. The application of a magnetic field below TN compels the magnetic moments to flip from the b axis to the a c plane (with a small induced component along the b axis), for a critical magnetic field of ca. 1.2 T.

Characteristics of a liquid-crystal-filled composite lattice terahertz bandgap fiber

NASA Astrophysics Data System (ADS)

Bai, Jinjun; Ge, Meilan; Wang, Shasha; Yang, Yanan; Li, Yong; Chang, Shengjiang

2018-07-01

A new type of terahertz fiber is presented based on composite lattice photonic crystal bandgap. The cladding is filled selectively with the nematic liquid crystal 5CB which is sensitive to the electric field. The terahertz wave can be modulated by using the electric field to control the orientation of liquid crystal molecules. The plane wave expansion method and the finite element method are employed to theoretically analyze bandgap characteristics, polarization characteristics, energy fraction and material absorption loss. The results show that this fiber structure can be used as tunable terahertz polarization controller.

Low-frequency Raman modes as fingerprints of layer stacking configurations of transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Liang, Liangbo; Puretzky, Alexander; Sumpter, Bobby; Meunier, Vincent; Geohegan, David; David B. Geohegan Team; Vincent Meunier Team

The tunable optoelectronic properties of stacked two-dimensional (2D) crystal monolayers are determined by their stacking orientation, order, and atomic registry. Atomic-resolution Z-contrast scanning transmission electron microscopy (AR-Z-STEM) can be used to determine the exact atomic registration between different layers in few-layer 2D stacks; however, fast and relatively inexpensive optical characterization techniques are essential for rapid development of the field. Using two- and three-layer MoSe2 and WSe2 crystals synthesized by chemical vapor deposition, we show that the generally unexplored low-frequency (LF) Raman modes (<50 cm-1) that originate from interlayer vibrations can serve as fingerprints to characterize not only the number of layers, but also their stacking configurations [Puretzky and Liang et al, ACS Nano 2015, 9, 6333]. First-principles Raman calculations and group theory analysis corroborate the experimental assignments determined by AR-Z-STEM and show that the calculated LF mode fingerprints are related to the 2D crystal symmetries. Our combined experimental/theoretical work demonstrates the LF Raman modes potentially more effective than HF Raman modes to probe the layer stacking and interlayer interaction for 2D materials. The authors acknowledge support from Eugene P. Wigner Fellowship at the Oak Ridge National Laboratory and the Center for Nanophase Materials Sciences, a DOE Office of Science User Facility.

Single particle measurements of the chemical composition of cirrus ice residue during CRYSTAL-FACE

NASA Astrophysics Data System (ADS)

Cziczo, D. J.; Murphy, D. M.; Hudson, P. K.; Thomson, D. S.

2004-02-01

The first real-time, in situ, investigation of the chemical composition of the residue of cirrus ice crystals was performed during July 2002. This study was undertaken on a NASA WB-57F high-altitude research aircraft as part of CRYSTAL-FACE, a field campaign which sought to further our understanding of the relation of clouds, water vapor, and climate by characterizing, among other parameters, anvil cirrus formed about the Florida peninsula. A counter flow virtual impactor (CVI) was used to separate cirrus ice from the unactivated interstitial aerosol particles and evaporate condensed-phase water. Residual material, on a crystal-by-crystal basis, was subsequently analyzed using the NOAA Aeronomy Laboratory's Particle Analysis by Laser Mass Spectrometry (PALMS) instrument. Sampling was performed from 5 to 15 km altitude and from 12° to 28° north latitude within cirrus originating over land and ocean. Chemical composition measurements provided several important results. Sea salt was often incorporated into cirrus, consistent with homogeneous ice formation by aerosol particles from the marine boundary layer. Size measurements showed that large particles preferentially froze over smaller ones. Meteoritic material was found within ice crystals, indicative of a relation between stratospheric aerosol particles and tropospheric clouds. Mineral dust was the dominant residue observed in clouds formed during a dust transport event from the Sahara, consistent with a heterogeneous freezing mechanism. These results show that chemical composition and size are important determinants of which aerosol particles form cirrus ice crystals.

Numerical simulation of temperature and pressure fields in CdTe growth experiment in the Material Science Laboratory (MSL) onboard the International Space Station in relation to dewetting

NASA Astrophysics Data System (ADS)

Sylla, Lamine; Duffar, Thierry

2007-05-01

A global thermal modelling of a cadmium telluride (CdTe) space experiment has been performed to determine the temperature field within the sample cartridge assembly of the Material Science Laboratory-low gradient furnace (MSL-LGF) apparatus. Heat transfer and phase change have been treated with a commercial CFD software based on a control volume technique. This work underlines the difficult compromise between enhancing the crystal quality and the occurrence of the dewetting phenomenon when using a Cd overpressure or inert gas in the ampoule.

Erbium ion implantation into different crystallographic cuts of lithium niobate

NASA Astrophysics Data System (ADS)

Nekvindova, P.; Svecova, B.; Cajzl, J.; Mackova, A.; Malinsky, P.; Oswald, J.; Kolistsch, A.; Spirkova, J.

2012-02-01

Single crystals like lithium niobate are frequently doped with optically active rare-earth or transition-metal ions for a variety of applications in optical devices such as solid-state lasers, amplifiers or sensors. To exploit the potential of the Er:LiNbO 3, one must ensure high intensity of the 1.5 μm luminescence as an inevitable prerequisite. One of the important factors influencing the luminescence properties of a lasing ion is the crystal field of the surrounding, which is inevitably determined by the crystal structure of the pertinent material. From that point it is clear that it cannot be easy to affect the resulting luminescence properties - intensity or position of the luminescence band - without changing the structure of the substrate. However, there is a possibility to utilise a potential of the ion implantation of the lasing ions, optionally accompanied with a sensitising one, that can, besides the doping, also modify the structure of the treated area od the crystal. This effect can be eventually enhanced by a post-implantation annealing that may help to recover the damaged structure and hence to improve the desired luminescence. In this paper we are going to report on our experiments with ion-implantation technique followed with subsequent annealing could be a useful way to influence the crystal field of LN. Optically active Er:LiNbO 3 layers were fabricated by medium energy implantation under various experimental conditions. The Er + ions were implanted at energies of 330 and 500 keV with fluences ranging from 1.0 × 10 15 to 1.0 × 10 16 ion cm -2 into LiNbO 3 single-crystal cuts of both common and special orientations. The as-implanted samples were annealed in air and oxygen at two different temperatures (350 and 600 °C) for 5 h. The depth concentration profiles of the implanted erbium were measured by Rutherford Backscattering Spectroscopy (RBS) using 2 MeV He + ions. The photoluminescence spectra of the samples were measured to determine the emission of 1.5 μm. It has been shown that the projected range Rp of the implanted erbium depends on the beam energies of implantation. The concentration of the implanted erbium corresponds well with the fluence and is similar in all of the cuts of lithium niobate used. What was different were the intensities of the 1.5 μm luminescence bands not only before and after the annealing but also in various types of the crystal cuts. The cut perpendicular to the cleavage plane <10-14> exhibited the best luminescence properties for all of the experimental conditions used. In order to study the damage introduced by the implantation process, the influence of the annealing procedure on the recovery of the host lattice was examined by RBS/channelling. The RBS/channelling method serves to determine the disorder density in the as-implanted surface layer.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Xiaoyang; Frisbie, Daniel

2017-03-31

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

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

Ferromagnetic Switching of Knotted Vector Fields in Liquid Crystal Colloids.

PubMed

Zhang, Qiaoxuan; Ackerman, Paul J; Liu, Qingkun; Smalyukh, Ivan I

2015-08-28

We experimentally realize polydomain and monodomain chiral ferromagnetic liquid crystal colloids that exhibit solitonic and knotted vector field configurations. Formed by dispersions of ferromagnetic nanoplatelets in chiral nematic liquid crystals, these colloidal ferromagnets exhibit spontaneous long-range alignment of magnetic dipole moments of individual platelets, giving rise to a continuum of the magnetization field M(r). Competing effects of surface confinement and chirality prompt spontaneous formation and enable the optical generation of localized twisted solitonic structures with double-twist tubes and torus knots of M(r), which exhibit a strong sensitivity to the direction of weak magnetic fields ∼1  mT. Numerical modeling, implemented through free energy minimization to arrive at a field-dependent three-dimensional M(r), shows a good agreement with experiments and provides insights into the torus knot topology of observed field configurations and the corresponding physical underpinnings.

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.

Optical devices having flakes suspended in a host fluid to provide a flake/fluid system providing flakes with angularly dependent optical properties in response to an alternating current electric field due to the dielectric properties of the system

DOEpatents

Kosc, Tanya Z [Rochester, NY; Marshall, Kenneth L [Rochester, NY; Jacobs, Stephen D [Pittsford, NY

2006-05-09

Optical devices utilizing flakes (also called platelets) suspended in a host fluid have optical characteristics, such as reflective properties, which are angular dependent in response to an AC field. The reflectivity may be Bragg-like, and the characteristics are obtained through the use of flakes of liquid crystal material, such as polymer liquid crystal (PLC) materials including polymer cholesteric liquid crystal (PCLC) and polymer nematic liquid crystal (PNLC) material or birefringent polymers (BP). The host fluid may be propylene carbonate, poly(ethylene glycol) or other fluids or fluid mixtures having fluid conductivity to support conductivity in the flake/host system. AC field dependent rotation of 90.degree. can be obtained at rates and field intensities dependent upon the frequency and magnitude of the AC field. The devices are useful in providing displays, polarizers, filters, spatial light modulators and wherever switchable polarizing, reflecting, and transmission properties are desired.

A portable extruder for in situ wide angle x-ray scattering study on multi-dimensional flow field induced crystallization of polymer

NASA Astrophysics Data System (ADS)

Chang, Jiarui; Wang, Zhen; Tang, Xiaoliang; Tian, Fucheng; Ye, Ke; Li, Liangbin

2018-02-01

We have designed and constructed a portable extruder with a rotatable mandrel, which can be employed to study the multi-dimensional flow field (MDFF) induced crystallization of polymer combined with in situ wide angle x-ray scattering (WAXS). With the piston driving the melt sample to flow along the channel, a direct axial shear field is achieved. At the same time, the central mandrel keeps rotating under a stable speed, providing the sample with an additional circumferential shear field. By presetting different proportions of the two shear fields, namely, axial and circumferential, various flow states of the sample can be obtained, which makes it capable of investigating the effects of MDFF on polymer crystallization. We have performed an in situ WAXS experiment of MDFF induced crystallization of isotactic polypropylene based on the portable extruder at the beam line BL16B in Shanghai Synchrotron Radiation Facility. The rheological and structural information is collected simultaneously, which manifests the viability of the portable extruder on regulating MDFF and can provide guidance for polymer processing.

Feasibility of one-shot-per-crystal structure determination using Laue diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cornaby, Sterling; CHESS; Szebenyi, Doletha M. E.

Structure determination was successfully carried out using single Laue exposures from a group of lysozyme crystals. The Laue method may be a viable option for collection of one-shot-per-crystal data from microcrystals. Crystal size is an important factor in determining the number of diffraction patterns which may be obtained from a protein crystal before severe radiation damage sets in. As crystal dimensions decrease this number is reduced, eventually falling to one, at which point a complete data set must be assembled using data from multiple crystals. When only a single exposure is to be collected from each crystal, the polychromatic Lauemore » technique may be preferable to monochromatic methods owing to its simultaneous recording of a large number of fully recorded reflections per image. To assess the feasibility of solving structures using single Laue images from multiple crystals, data were collected using a ‘pink’ beam at the CHESS D1 station from groups of lysozyme crystals with dimensions of the order of 20–30 µm mounted on MicroMesh grids. Single-shot Laue data were used for structure determination by molecular replacement and correct solutions were obtained even when as few as five crystals were used.« less

Dislocation Mobility and Anomalous Shear Modulus Effect in ^4He Crystals

NASA Astrophysics Data System (ADS)

Malmi-Kakkada, Abdul N.; Valls, Oriol T.; Dasgupta, Chandan

2017-02-01

We calculate the dislocation glide mobility in solid ^4He within a model that assumes the existence of a superfluid field associated with dislocation lines. Prompted by the results of this mobility calculation, we study within this model the role that such a superfluid field may play in the motion of the dislocation line when a stress is applied to the crystal. To do this, we relate the damping of dislocation motion, calculated in the presence of the assumed superfluid field, to the shear modulus of the crystal. As the temperature increases, we find that a sharp drop in the shear modulus will occur at the temperature where the superfluid field disappears. We compare the drop in shear modulus of the crystal arising from the temperature dependence of the damping contribution due to the superfluid field, to the experimental observation of the same phenomena in solid ^4He and find quantitative agreement. Our results indicate that such a superfluid field plays an important role in dislocation pinning in a clean solid ^4He at low temperatures and in this regime may provide an alternative source for the unusual elastic phenomena observed in solid ^4He.

Far-field coupling in nanobeam photonic crystal cavities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rousseau, Ian, E-mail: ian.rousseau@epfl.ch; Sánchez-Arribas, Irene; Carlin, Jean-François

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 ofmore » 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.« less

Dynamic and magneto-optic properties of bent-core liquid crystals

NASA Astrophysics Data System (ADS)

Salili, Seyyed Muhammad

In this work, we describe dynamic behavior of free-standing bent-core liquid crystal filaments under dilative and axial compressive stresses in the B7 phase. We found that such filaments demonstrate very complex structures depending on the filament's temperature relative to the isotropic phase, initial filament thickness, and velocity at which the filament is pulled or compressed. We also present our experimental methods, results and analysis of the rupture and recoil properties of several bent-core liquid crystal filaments, anticipating that they may serve as a model system for complex biological fibers. After that, we systematically describe rheological measurements for dimeric liquid crystal compounds. We studied the shear-induced alignment properties, measured the viscoelastic properties as a function of temperature, shear rate, stress and frequency, and compared the results with the rheological properties of conventional chiral nematic and smectic phases. Then we present results of chiral nematic liquid crystals composed of flexible dimer molecules subject to large DC magnetic fields between 0 and 31T. We observe that these fields lead to selective reflection of light depending on temperature and magnetic field. The band of reflected wavelengths can be tuned from ultraviolet to beyond the IR-C band. A similar effect induced by electric fields has been presented previously, and was explained by a field-induced oblique-heliconical director deformation in accordance with early theoretical predictions. Finally, we report an unprecedented magnetic field-induced shifts of the isotropic-nematic phase transition temperature observed in liquid crystal dimers where two rigid linear mesogens are linked by flexible chains of either even- or odd-numbered hydrocarbon groups. This effect is explained in terms of quenching of the thermal fluctuations and decrease of the average bend angle of molecules in the odd-numbered dimers.

Reflection Spectra of Distorted Cholesteric Liquid Crystal Structures in Cells with Interdigitated Electrodes (Postprint)

DTIC Science & Technology

2014-07-01

adjusting the magnitude of the electric field. 15. SUBJECT TERMS liquid crystals , liquid- crystal devices, Bragg reflectors, optical properties, chiral ...160.3710) Liquid crystals ; (230.3720) Liquid- crystal devices; (230.1480) Bragg reflectors; (160.4760) Optical properties; (160.1585) Chiral media...White, and T. J. Bunning, “Local optical spectra and texture for chiral nematic liquid crystals in cells with interdigitated electrodes,” Mol

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.

Isogyres - Manifestation of Spin-orbit interaction in uniaxial crystal: A closed-fringe Fourier analysis of conoscopic interference

NASA Astrophysics Data System (ADS)

Samlan, C. T.; Naik, Dinesh N.; Viswanathan, Nirmal K.

2016-09-01

Discovered in 1813, the conoscopic interference pattern observed due to light propagating through a crystal, kept between crossed polarizers, shows isochromates and isogyres, respectively containing information about the dynamic and geometric phase acquired by the beam. We propose and demonstrate a closed-fringe Fourier analysis method to disentangle the isogyres from the isochromates, leading us to the azimuthally varying geometric phase and its manifestation as isogyres. This azimuthally varying geometric phase is shown to be the underlying mechanism for the spin-to-orbital angular momentum conversion observed in a diverging optical field propagating through a z-cut uniaxial crystal. We extend the formalism to study the optical activity mediated uniaxial-to-biaxial transformation due to a weak transverse electric field applied across the crystal. Closely associated with the phase and polarization singularities of the optical field, the formalism enables us to understand crystal optics in a new way, paving the way to anticipate several emerging phenomena.

Isogyres - Manifestation of Spin-orbit interaction in uniaxial crystal: A closed-fringe Fourier analysis of conoscopic interference.

PubMed

Samlan, C T; Naik, Dinesh N; Viswanathan, Nirmal K

2016-09-14

Discovered in 1813, the conoscopic interference pattern observed due to light propagating through a crystal, kept between crossed polarizers, shows isochromates and isogyres, respectively containing information about the dynamic and geometric phase acquired by the beam. We propose and demonstrate a closed-fringe Fourier analysis method to disentangle the isogyres from the isochromates, leading us to the azimuthally varying geometric phase and its manifestation as isogyres. This azimuthally varying geometric phase is shown to be the underlying mechanism for the spin-to-orbital angular momentum conversion observed in a diverging optical field propagating through a z-cut uniaxial crystal. We extend the formalism to study the optical activity mediated uniaxial-to-biaxial transformation due to a weak transverse electric field applied across the crystal. Closely associated with the phase and polarization singularities of the optical field, the formalism enables us to understand crystal optics in a new way, paving the way to anticipate several emerging phenomena.

Light intensity compressor

DOEpatents

Rushford, Michael C.

1990-02-06

In a system for recording images having vastly differing light intensities over the face of the image, a light intensity compressor is provided that utilizes the properties of twisted nematic liquid crystals to compress the image intensity. A photoconductor or photodiode material that is responsive to the wavelength of radiation being recorded is placed adjacent a layer of twisted nematic liquid crystal material. An electric potential applied to a pair of electrodes that are disposed outside of the liquid crystal/photoconductor arrangement to provide an electric field in the vicinity of the liquid crystal material. The electrodes are substantially transparent to the form of radiation being recorded. A pair of crossed polarizers are provided on opposite sides of the liquid crystal. The front polarizer linearly polarizes the light, while the back polarizer cooperates with the front polarizer and the liquid crystal material to compress the intensity of a viewed scene. Light incident upon the intensity compressor activates the photoconductor in proportion to the intensity of the light, thereby varying the field applied to the liquid crystal. The increased field causes the liquid crystal to have less of a twisting effect on the incident linearly polarized light, which will cause an increased percentage of the light to be absorbed by the back polarizer. The intensity of an image may be compressed by forming an image on the light intensity compressor.

Light intensity compressor

DOEpatents

Rushford, Michael C.

1990-01-01

In a system for recording images having vastly differing light intensities over the face of the image, a light intensity compressor is provided that utilizes the properties of twisted nematic liquid crystals to compress the image intensity. A photoconductor or photodiode material that is responsive to the wavelength of radiation being recorded is placed adjacent a layer of twisted nematic liquid crystal material. An electric potential applied to a pair of electrodes that are disposed outside of the liquid crystal/photoconductor arrangement to provide an electric field in the vicinity of the liquid crystal material. The electrodes are substantially transparent to the form of radiation being recorded. A pair of crossed polarizers are provided on opposite sides of the liquid crystal. The front polarizer linearly polarizes the light, while the back polarizer cooperates with the front polarizer and the liquid crystal material to compress the intensity of a viewed scene. Light incident upon the intensity compressor activates the photoconductor in proportion to the intensity of the light, thereby varying the field applied to the liquid crystal. The increased field causes the liquid crystal to have less of a twisting effect on the incident linearly polarized light, which will cause an increased percentage of the light to be absorbed by the back polarizer. The intensity of an image may be compressed by forming an image on the light intensity compressor.

Peculiar behavior of magnetoresistance in HgSe single crystal with low electron concentration

NASA Astrophysics Data System (ADS)

Lonchakov, A. T.; Bobin, S. B.; Deryushkin, V. V.; Okulov, V. I.; Govorkova, T. E.; Neverov, V. N.

2018-02-01

Magnetoresistive properties of the single crystal of HgSe with a low electron concentration were studied in a wide range of temperatures and magnetic fields. Some fundamental parameters of the spectrum and scattering of electrons were experimentally determined. Two important features of magnetic transport were found—strong transverse magnetoresistance (MR) and negative longitudinal MR, which can indicate the existence of the topological phase of the Weyl semimetal (WSM) in HgSe. Taking this hypothesis into account, we suggest a modified band diagram of mercury selenide at low electron energies. The obtained results are essential for the deeper understanding of both physics of gapless semiconductors and WSMs—promising materials for various applications in electronics, spintronics, computer, and laser technologies.

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

PubMed

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

2015-09-07

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

All-optical switch based on doped graphene quantum dots in a defect layer of a one-dimensional photonic crystal.

PubMed

Sahrai, Mostafa; Abbasabadi, Majid

2018-01-20

We discuss the light pulse propagation in a one-dimensional photonic crystal doped by graphene quantum dots in a defect layer. The graphene quantum dots behave as a three-level quantum system and are driven by three coherent laser fields. It is shown that the group velocity of the transmitted and reflected pulses can be switched from subluminal to superluminal light propagation by adjusting the relative phase of the applied fields. Furthermore, it is found that by proper choice of the phase difference between applied fields, the weak probe field amplification is achieved through a one-dimensional photonic crystal. In this way, the result is simultaneous subluminal transmission and reflection.

Magnetic field-induced strain and magnetoelectric effects in sandwich composite of ferromagnetic shape memory Ni-Mn-Ga crystal and piezoelectric PVDF polymer.

PubMed

Zeng, Min; Or, Siu Wing; Chan, Helen Lai Wa

2010-10-01

A sandwich composite consisting of one layer of ferromagnetic shape memory Ni-Mn-Ga crystal plate bonded between two layers of piezoelectric PVDF polymer film was fabricated, and its magnetic field-induced strain (MFIS) and magnetoelectric (ME) effects were investigated, together with a monolithic Ni-Mn-Ga crystal, as functions of magnetic fields and mechanical load. The load-free dc- and ac-MFISs were 0.35 and 0.05% in the composite, and 5.6 and 0.3% in the monolithic crystal, respectively. The relatively smaller load-free MFISs in the composite than the monolithic crystal resulted from the clamping of martensitic twin-boundary motion in the Ni-Mn-Ga plate by the PVDF films. The largest ME coefficient (α(E)) was 0.58 V/cm·Oe at a magnetic bias field (H(Bias)) of 8.35 kOe under load-free condition. The mechanism of the ME effect originated from the mechanically mediated MFIS effect in the Ni-Mn-Ga plate and piezoelectric effect in the PVDF films. The measured α(E)-H(Bias) responses under different loads showed good agreement with the model prediction.

CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes.

PubMed

Calvello, Simone; Piccardo, Matteo; Rao, Shashank Vittal; Soncini, Alessandro

2018-03-05

We have developed and implemented a new ab initio code, Ceres (Computational Emulator of Rare Earth Systems), completely written in C++11, which is dedicated to the efficient calculation of the electronic structure and magnetic properties of the crystal field states arising from the splitting of the ground state spin-orbit multiplet in lanthanide complexes. The new code gains efficiency via an optimized implementation of a direct configurational averaged Hartree-Fock (CAHF) algorithm for the determination of 4f quasi-atomic active orbitals common to all multi-electron spin manifolds contributing to the ground spin-orbit multiplet of the lanthanide ion. The new CAHF implementation is based on quasi-Newton convergence acceleration techniques coupled to an efficient library for the direct evaluation of molecular integrals, and problem-specific density matrix guess strategies. After describing the main features of the new code, we compare its efficiency with the current state-of-the-art ab initio strategy to determine crystal field levels and properties, and show that our methodology, as implemented in Ceres, represents a more time-efficient computational strategy for the evaluation of the magnetic properties of lanthanide complexes, also allowing a full representation of non-perturbative spin-orbit coupling effects. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Polarized single crystal neutron diffraction study of the zero-magnetization ferromagnet Sm1 -xGdxAl2 (x =0.024 )

NASA Astrophysics Data System (ADS)

Chatterji, T.; Stunault, A.; Brown, P. J.

2018-02-01

We have determined the temperature evolution of the spin and orbital moments in the zero-magnetization ferromagnet Sm1 -xGdxAl2 (x = 0.024) by combining polarized and unpolarized single crystal neutron diffraction data. The sensitivity of the polarized neutron technique has allowed the moment values to be determined with a precision of ≈0.1 μB . Our results clearly demonstrate that, when magnetized by a field of 8 T, the spin and orbital moments in Sm1 -xGdxAl2 are oppositely directed, so that the net magnetization is very small. Below 60 K the contributions from spin and orbital motions are both about 2 μB , with that due to orbital motion being slightly larger than that due to spin. Between 60 and 65 K the contributions of each to the magnetization fall rapidly and change sign at Tcomp ≈67 K , above which the aligned moments recover but with the orbital magnetization still slightly higher than the spin one. These results imply that above Tcomp the small resultant magnetization of the Sm3 + ion is oppositely directed to the magnetizing field. It is suggested that this anomaly is due to polarization of conduction electron spin associated with the doping Gd3 + ions.

Mafic-crystal distributions, viscosities, and lava structures of some Hawaiian lava flows

NASA Astrophysics Data System (ADS)

Rowland, Scott K.; Walker, George P. L.

1988-09-01

The distribution patterns of mafic phenocrysts in some Hawaiian basalt flows are consistent with simple in situ gravitational settling. We use the patterns to estimate the crystal settling velocity and hence viscosity of the lava, which in turn can be correlated with surface structures. Numerical modeling generates theoretical crystal concentration profiles through lava flow units of different thicknesses for differing settling velocities. By fitting these curves to field data, crystal-settling rates through the lavas can be estimated, from which the viscosities of the flows can be determined using Stokes' Law. Lavas in which the crystal settling velocity was relatively high (on the order of 5 × 10 -4 cm/sec) show great variations in phenocryst content, both from top to bottom of the same flow unit, and from one flow unit to another. Such lava is invariably pahoehoe, flow units of which are usually less than 1 m thick. Lavas in which the crystal-settling velocity was low show a small but measurable variation in phenocryst content. These lavas are part of a progression from a rough pahoehoe to toothpaste lava to a'a. Toothpaste lava is characterized by spiny texture as well as the ability to retain surface grooves during solidification, and flow units are usually thicker than 1 m. In the thickest of Hawaiian a'a flows, those of the distal type, no systematic crystal variations are observed, and high viscosity coupled with a finite yield strength prevented crystal settling. The amount of crystal settling in pahoehoe indicates that the viscosity ranged from 600 to 6000 Pa s. The limited amount of settling in toothpaste lava indicates a viscosity greater than this value, approaching 12,000 Pa s. We infer that distal-type a'a had a higher viscosity still and also possessed a yield strength.

Design and optimization of production parameters for boric acid crystals with the crystallization process in an MSMPR crystallizer using FBRM® and PVM® technologies

NASA Astrophysics Data System (ADS)

Kutluay, Sinan; Şahin, Ömer; Ceyhan, A. Abdullah; İzgi, M. Sait

2017-06-01

In crystallization studies, newly developed technologies, such as Focused Beam Reflectance Measurement (FBRM) and Particle Vision and Measurement (PVM) are applied for determining on-line monitoring of a representation of the Chord Length Distribution (CLD) and observe the photographs of crystals respectively; moreover recently they are widely used. Properly installed, the FBRM ensures on-line determination of the CLD, which is statistically associated to the Crystal Size Distribution (CSD). In industrial crystallization, CSD and mean crystal size as well as external habit and internal structure are important characteristics for further use of the crystals. In this paper, the effect of residence time, stirring speed, feeding rate, supersaturation level and the polyelectrolytes such as anionic polyacrylamide (APAM) and non-ionic polyacrylamide (NPAM) on the CLD as well as the shape of boric acid crystals were investigated by using the FBRM G600 and the PVM V819 probes respectively in an MSMPR (Mixed Suspension Mixed Product Removal) crystallizer. The CSD and kinetic data were determined experimentally using continuous MSMPR crystallizer running at steady state. The population density of nuclei, the nucleation rate and the growth rate were determined from the experimental population balance distribution when the steady state was reached.

The optical properties of CdS crystal grown by the sublimation method

NASA Astrophysics Data System (ADS)

Hong, K. J.; Jeong, T. S.; Yoon, C. J.; Shin, Y. J.

2000-09-01

A cadmium sulfide (CdS) single crystal was grown by the sublimation method without a seed crystal in a two-stage vertical electric furnace. The carrier concentration and mobility obtained from Hall measurements at room temperature were 2.90 ×10 16 cm-3 and 316 cm 2/V s, respectively. The photoluminescence and the photocurrent measurement of the CdS single crystal have been performed in the temperature ranging from 20 to 293 K. From the photoluminescence measurement, the energy of the free exciton Ex(A) and Ex(B) has been obtained to be 2.5511 and 2.5707 eV, respectively. The variance of the peak position, intensity, and linewidth of the free excitons as a function of the temperature have been investigated by means of the conventional empirical relations and Toyozawa's theory. The crystal field of the CdS and its splitting energy, Δ cr, have been found to be 19.6 meV. In the photocurrent measurement, only the Ex(A) exciton peak has been observed. The energy band gap of the CdS at room temperature was determined to be 2.4749 eV by the photoluminescence and photocurrent measurement. Also, the temperature dependence of the energy band gap of the CdS, Eg( T), has been examined.

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.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Han, Fei; Wan, Xiangang; Phelan, Daniel

ZrCuSi 2-type CePd 1-xBi 2 crystals were obtained from excess Bi flux. Magnetic susceptibility measurements reveal that CePd 1-xBi 2 is a highly anisotropic antiferromagnet with transition temperature at 6 K, and a magnetic-field-induced metamagnetic transition at 5 T. An enhanced Sommerfeld coefficient of γ of 0.199 J-mol-Ce -1K -2 obtained from specific heat measurements suggests a moderate Kondo effect in CePd 1-xBi 2. In addition to the antiferromagnetic peak the resistivity curve shows a shoulder-like behavior which could be attributed to the presence of Kondo effect and crystal-electric-field effects in this compound. Magnetoresistance and Hall effect measurements suggest anmore » interplay between Kondo and crystal-electric-field effects which reconstructs the Fermi surface topology of CePd 1-xBi 2 around 75 K. Electronic structure calculations reveal the Pd vacancies are important to the magnetic structure and enhance the crystal-electric-field effects which quench the orbital moment of Ce at low temperatures.« less

Anisotropies in the linear polarization of vacancy photoluminescence in diamond induced by crystal rotations and strong magnetic fields

NASA Astrophysics Data System (ADS)

Braukmann, D.; Popov, V. P.; Glaser, E. R.; Kennedy, T. A.; Bayer, M.; Debus, J.

2018-03-01

We study the linear polarization properties of the photoluminescence of ensembles of neutral and negatively charged nitrogen vacancies and neutral vacancies in diamond crystals as a function of their symmetry and their response to strong external magnetic fields. The linear polarization degree, which exceeds 10% at room temperature, and rotation of the polarization plane of their zero-phonon lines significantly depend on the crystal rotation around specific axes demonstrating anisotropic angular evolutions. The sign of the polarization plane rotation is changed periodically through the crystal rotation, which indicates a switching between electron excited states of orthogonal linear polarizations. At external magnetic fields of up to 10 T, the angular dependencies of the linear polarization degree experience a remarkable phase shift. Moreover, the rotation of the linear polarization plane increases linearly with rising magnetic field at 6 K and room temperature, for the negatively charged nitrogen vacancies, which is attributed to magneto-optical Faraday rotation.

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

NASA Astrophysics Data System (ADS)

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

2009-08-01

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

On the local field method with the account of spatial dispersion. Application to the optical activity theory

NASA Astrophysics Data System (ADS)

Tyu, N. S.; Ekhilevsky, S. G.

1992-07-01

For the perfect molecular crystals the equations of the local field method (LFM) with the account of spatial dispersion are formulated. They are used to derive the expression for the crystal polarizability tensor. For the first time within the framework of this method the formula for the gyrotropy tensor of an arbitrary optically active molecular crystal is obtained. This formula is analog of well known relationships of Lorentz-Lorenz.

Dielectric, magnetic, and lattice dynamics properties of Y-type hexaferrite Ba{sub 0.5}Sr{sub 1.5}Zn{sub 2}Fe{sub 12}O{sub 22}: Comparison of ceramics and single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kamba, S.; Goian, V.; Savinov, M.

2010-05-15

We prepared multiferroic Y-type hexaferrite Ba{sub 0.5}Sr{sub 1.5}Zn{sub 2}Fe{sub 12}O{sub 22} ceramics and compared their magnetic and dielectric properties with single crystal. Magnetic susceptibility and microwave resonance measurement revealed magnetic phase transition at T{sub C}=312 K, similar as in single crystal. Ferroelectric (FE) phase can be induced by external magnetic field in all investigated samples and the phase diagram in ceramics qualitatively resembles that of the single crystal. The range of magnetic fields, where the FE phase is induced, broadens after annealing of single crystal. Ceramics quenched after sintering exhibit several orders of magnitude lower conductivity than the single crystal.more » Heavily damped magnetic resonance was discovered in terahertz spectra at 10 K and its frequency softens below 5 GHz near T{sub C}. Number and symmetry of observed infrared (IR) and Raman active phonons correspond to paraelectric phase with D{sub 3d}{sup 5} hexagonal structure. No evidence for a structural phase transition was found in the IR and Raman spectra on cooling (in zero magnetic field) or in the room-temperature IR spectra with external static magnetic field up to 0.3 T.« less

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.

Experimental study of the rotational magnetocaloric effect in KTm(MoO4)2

NASA Astrophysics Data System (ADS)

Tarasenko, Róbert; Tkáč, Vladimír; Orendáčová, Alžbeta; Orendáč, Martin; Feher, Alexander

2018-06-01

An experimental study is presented of the rotational magnetocaloric effect in a KTm(MoO4)2 single crystal at temperatures above 2 K associated with the rotation of a single crystal between the magnetic easy and hard axis in constant magnetic fields up to 5 T. The magnetocaloric properties of KTm(MoO4)2 single crystals are investigated by isothermal magnetization measurements. The maximal rotational entropy change -ΔSR ≈ 9.8 J/(kgK) is achieved at 10 K in a magnetic field of 5 T. The adiabatic rotation of a single crystal in a field of 5 T at an initial temperature of 4.2 K causes cooling of the sample down to 0.5 K, which indicates an interesting possibility of using this material for cooling processes at low temperatures.

Electron paramagnetic resonance study of alinement induced by magnetic fields in two smectic-A liquid crystals not exhibiting nematic phases

NASA Technical Reports Server (NTRS)

Fryburg, G. C.; Gelerinter, E.

1972-01-01

Using vanadyl acetylacetonate (VAAC) as a paramagnetic probe, the molecular ordering in two smectic-A liquid crystals that do not display nematic phases were studied. Reproducible alinement was attained by slow cooling throughout the isotropic smectic-A transition in dc magnetic fields of 1.1 and 2.15 teslas. The degree of order attained is small for a smectic-A liquid crystal. Measurements were made of the variation of the average hyperfine splitting of the alined samples as a function of orientation relative to the dc magnetic field of the spectrometer. This functional dependence is in agreement with the theoretical prediction except where the viscosity of the liquid crystal becomes large enough to slow the tumbling of the VAAC, as indicated by asymmetry in the end lines of the spectrum.

Colorimetric qualification of shear sensitive liquid crystal coatings

NASA Technical Reports Server (NTRS)

Muratore, Joseph J., Jr.

1993-01-01

The work that has been done to date on the Shear Sensitive Liquid Crystal Project demonstrated that cholesteric liquid crystal coatings respond to both the direction and magnitude of a shearing force. The response of the coating is to selectively scatter incident white light into a spectrum of colors. Discernible color changes at a fixed angle of observation and illumination are the result of an applied shear stress. The intention was to be able to convert these observable color patterns from a flow visualization technique into a quantitative tool. One of the earlier intentions was to be able to use liquid crystals in dynamic flow fields. This was assumed possible because liquid crystals had made it possible to visualize transients in surface shear forces. Although the transients were visualized by color changes to an order one micro second, the time response of a coating to align to a shearing force is dependent on the magnitude of the change between its initial and final states. Unfortunately, the response is not instantaneous. It is for this reason any future attempt at quantifying the magnitude and directions of a shearing force are limited to surface shear stress vector fields in three dimensional steady state flows. This limitation does not significantly detract from the utility of liquid crystal coatings. The measurement of skin friction in the study of transition on wings, prediction of drag forces, performance assessment, and the investigation of boundary layer behavior is of great importance in aerodynamics. There exist numerous examples of techniques for the measurement of surface shear stress. Most techniques require arduous calibrations and necessitate extensive preparation of the receiving surfaces. However, the main draw back of instruments such as Preston tubes, hot films, buried wire gages, and floating element balances is that they only provide a point measurement. The advantages of capturing global shear data would be appreciable when compared with conventional point measurement sensors. It has yet to be determined if a repeatable correlation exists between the measured color of a liquid crystal coating and the magnitude/directional components of a shear vector imposed onto it.

Calcite Formation in Soft Coral Sclerites Is Determined by a Single Reactive Extracellular Protein*

PubMed Central

Rahman, M. Azizur; Oomori, Tamotsu; Wörheide, Gert

2011-01-01

Calcium carbonate exists in two main forms, calcite and aragonite, in the skeletons of marine organisms. The primary mineralogy of marine carbonates has changed over the history of the earth depending on the magnesium/calcium ratio in seawater during the periods of the so-called “calcite and aragonite seas.” Organisms that prefer certain mineralogy appear to flourish when their preferred mineralogy is favored by seawater chemistry. However, this rule is not without exceptions. For example, some octocorals produce calcite despite living in an aragonite sea. Here, we address the unresolved question of how organisms such as soft corals are able to form calcitic skeletal elements in an aragonite sea. We show that an extracellular protein called ECMP-67 isolated from soft coral sclerites induces calcite formation in vitro even when the composition of the calcifying solution favors aragonite precipitation. Structural details of both the surface and the interior of single crystals generated upon interaction with ECMP-67 were analyzed with an apertureless-type near-field IR microscope with high spatial resolution. The results show that this protein is the main determining factor for driving the production of calcite instead of aragonite in the biocalcification process and that –OH, secondary structures (e.g. α-helices and amides), and other necessary chemical groups are distributed over the center of the calcite crystals. Using an atomic force microscope, we also explored how this extracellular protein significantly affects the molecular-scale kinetics of crystal formation. We anticipate that a more thorough investigation of the proteinaceous skeleton content of different calcite-producing marine organisms will reveal similar components that determine the mineralogy of the organisms. These findings have significant implications for future models of the crystal structure of calcite in nature. PMID:21768106

Deformation analysis of vesicles in an alternating-current electric field.

PubMed

Tang, Yu-Gang; Liu, Ying; Feng, Xi-Qiao

2014-08-01

In this paper the shape equation for axisymmetric vesicles subjected to an ac electric field is derived on the basis of the liquid-crystal model. The equilibrium morphology of a lipid vesicle is determined by the minimization of its free energy in coupled mechanical and ac electric fields. Besides elastic bending, the effects of the osmotic pressure difference, surface tension, Maxwell pressure, and flexoelectric and dielectric properties of phospholipid membrane as well are taken into account. The influences of elastic bending, osmotic pressure difference, and surface tension on the frequency-dependent behavior of a vesicle membrane in an ac electric field are examined. The singularity of the ac electric field is also investigated. Our theoretical results of vesicle deformation agree well with previous experimental and numerical results. The present study provides insights into the physical mechanisms underpinning the frequency-dependent morphological evolution of vesicles in the electric and mechanical fields.

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.

Evolution of major and trace elements and volatile contents of selected magmas in the Campi Flegrei and Procida volcanic fields, Italy, based on melt inclusion

NASA Astrophysics Data System (ADS)

Esposito, R.; Badescu, K.; Steele-MacInnis, M.; Lima, A.; De Vivo, B.; Cannatelli, C.; Manning, C. E.; Bodnar, R. J.

2017-12-01

The active Campi Flegrei (CF) volcanic field in southern Italy has been intensively studied owing to the volcanic risk to which the 1.5 million people in the area are exposed. The volcanic Island of Procida (IP) is located just southwest from CF but shows no signs of volcanic activity today. The IP volcanic products are the most primitive volcanic products of these two related volcanic fields. In this study, the major and minor element and volatile (H2O, CO2, S, Cl and F) compositions of melt inclusions (MI) hosted in sanidine, clinopyroxene, plagioclase and olivine were determined. MI data from this study and from the literature were compared with bulk rock data to test for agreement between MI compositions and compositions of CF and IP magmas determined by bulk rock analyses. Although MI compositions overlap with those of the bulk rock, some MI show anomalous compositions for one or a combination of Al2O3, FeO, P2O5, and TiO2. These MI represent melts produced by dissolution-reaction-mixing and were not included for the interpretation of volatile contents. Major elements and volatile concentrations of bubble-free MI that are interpreted to be representative of CF and IP were compared to crystal host compositions and to melt compositions obtained using rhyolite-MELTS simulations. Data suggest that less evolved magmas beneath the studied area crystallize either isobarically at ≥200 MPa (≥7.5 km) or polybarically during ascent to shallow depths under volatile-saturated conditions. Bubble-free MI representative of the least differentiated magmas can be divided into two groups. One group of MI is representative of simple fractional crystallization under volatile-saturated conditions from a primitive trachybasaltic melt. The other group of MI is representative of recharge of a primitive basaltic magma mixing with the preexisting primitive trachybasaltic magma before eruption. We suggest that the mixing process occurred at relatively great depth. Extensive isobaric crystallization of the trachybasaltic magmas beneath CF at 7.5 km may have generated trachy-phonolitic magmas, such as those associated with the Neapolitan Yellow Tuff that is characterized by a relatively high H2O content. These volatile saturated trachy-phonolitic magmas ascend through the crust and trigger high-magnitude eruptions.

Phase-equilibrium geobarometers for silicic rocks based on rhyolite-MELTS. Part 4: Plagioclase, orthopyroxene, clinopyroxene, glass geobarometer, and application to Mt. Ruapehu, New Zealand

NASA Astrophysics Data System (ADS)

Harmon, Lydia J.; Cowlyn, James; Gualda, Guilherme A. R.; Ghiorso, Mark S.

2018-01-01

A new phase equilibria geobarometer determines magmatic storage and crystallization conditions, including pressure, temperature, oxygen fugacity ({f_{{{o}_2}}}), and the presence of a fluid phase for glass-bearing rocks containing the assemblage plagioclase + pyroxene(s). This newly developed geobarometer can better constrain crystallization conditions of shallow (< 500 MPa; < 20 km), glass-bearing andesites to dacites. The geobarometer utilizes rhyolite-MELTS to determine crystallization conditions in natural pumice and scoria samples. The validity of the geobarometer is tested by comparing it to results from experiments. Uncertainties are assessed using Monte Carlo simulations. We apply the geobarometer to the plag + opx + cpx-bearing system of Mt. Ruapehu, in the southern Taupo Volcanic Zone, New Zealand. The samples from Mt. Ruapehu are tested from 5 to 400 MPa and from super-liquidus to 90% crystalline ( 1200 to 700 °C). Mt. Ruapehu serves as a methodological testing ground for the geobarometer, and results from our geobarometer agree with recent Mt. Ruapehu studies. Results show a distribution of crystallization pressures ranging from 50 to 150 MPa ( 2.0 to 5.9 km) for different eruptions, with modes of 110 MPa ( 4.3 km) and 130 MPa ( 5.1 km). These are consistent with field interpretations of different eruptive styles based on juvenile clast textures and previous knowledge of the magma plumbing system. Mt. Ruapehu magmas are fluid saturated, with {f_{{{o}_2}}} of ΔQFM + 1 (NNO).

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

NASA Astrophysics Data System (ADS)

Sabanskis, A.; Virbulis, J.

2018-05-01

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

The formation and optical properties of planar waveguide in laser crystal Nd:YGG by carbon ion implantation

NASA Astrophysics Data System (ADS)

Zhao, Jin-Hua; Qin, Xi-Feng; Wang, Feng-Xiang; Jiao, Yang; Guan, Jing; Fu, Gang

2017-10-01

As one kind of prominent laser crystal, Nd:Y3Ga5O12 (Nd:YGG) crystal has outstanding performance on laser excitation at multi-wavelength which have shown promising applications in optical communication field. In addition, Nd:YGG crystal has potential applications in medical field due to its ability of emit the laser at 1110 nm. Optical waveguide structure with high quality could improve the efficiency of laser emission. In this work, we fabricated the optical planar waveguide on Nd:YGG crystal by medium mass ion implantation which was convinced an effective method to realize a waveguide structure with superior optical properties. The sample is implanted by C ions at energy of 5.0 MeV with the fluence of 1 × 1015 ions/cm2. We researched the optical propagation properties in the Nd:YGG waveguide by end-face coupling and prism coupling method. The Nd ions fluorescent properties are obtained by a confocal micro-luminescence measurement. The fluorescent properties of Nd ions obtained good reservation after C ion implantation. Our work has reference value for the application of Nd:YGG crystal in the field of optical communication.

Fabrication of large binary colloidal crystals with a NaCl structure

PubMed Central

Vermolen, E. C. M.; Kuijk, A.; Filion, L. C.; Hermes, M.; Thijssen, J. H. J.; Dijkstra, M.; van Blaaderen, A.

2009-01-01

Binary colloidal crystals offer great potential for tuning material properties for applications in, for example, photonics, semiconductors and spintronics, because they allow the positioning of particles with quite different characteristics on one lattice. For micrometer-sized colloids, it is believed that gravity and slow crystallization rates hinder the formation of high-quality binary crystals. Here, we present methods for growing binary colloidal crystals with a NaCl structure from relatively heavy, hard-sphere-like, micrometer-sized silica particles by exploring the following external fields: electric, gravitational, and dielectrophoretic fields and a structured surface (colloidal epitaxy). Our simulations show that the free-energy difference between the NaCl and NiAs structures, which differ in their stacking of the hexagonal planes of the larger spheres, is very small (≈0.002 kBT). However, we demonstrate that the fcc stacking of the large spheres, which is crucial for obtaining the pure NaCl structure, can be favored by using a combination of the above-mentioned external fields. In this way, we have successfully fabricated large, 3D, oriented single crystals having a NaCl structure without stacking disorder. PMID:19805259

Magnetic order and electronic structure of 5d 3 double perovskite Sr 2ScOsO 6

DOE PAGES

Taylor, A. E.; Morrow, R.; Singh, D. J.; ...

2015-03-01

The magnetic susceptibility, crystal and magnetic structures, and electronic structure of double perovskite Sr 2ScOsO 6 are reported. Using both neutron and x-ray powder diffraction we find that the crystal structure is monoclinic P21/n from 3.5 to 300 K. Magnetization measurements indicate an antiferromagnetic transition at TN=92 K, one of the highest transition temperatures of any double perovskite hosting only one magnetic ion. Type I antiferromagnetic order is determined by neutron powder diffraction, with an Os moment of only 1.6(1) muB, close to half the spin-only value for a crystal field split 5d electron state with t2g^3 ground state. Densitymore » functional calculations show that this reduction is largely the result of strong Os-O hybridization, with spin-orbit coupling responsible for only a ~0.1 muB reduction in the moment.« less