WorldWideScience

Sample records for surface phonon dispersion

  1. Surface phonons

    CERN Document Server

    Wette, Frederik

    1991-01-01

    In recent years substantial progress has been made in the detection of surface phonons owing to considerable improvements in inelastic rare gas scattering tech­ niques and electron energy loss spectroscopy. With these methods it has become possible to measure surface vibrations in a wide energy range for all wave vectors in the two-dimensional Brillouin zone and thus to deduce the complete surface phonon dispersion curves. Inelastic atomic beam scattering and electron energy loss spectroscopy have started to play a role in the study of surface phonons similar to the one played by inelastic neutron scattering in the investigation of bulk phonons in the last thirty years. Detailed comparison between experimen­ tal results and theoretical studies of inelastic surface scattering and of surface phonons has now become feasible. It is therefore possible to test and to improve the details of interaction models which have been worked out theoretically in the last few decades. At this point we felt that a concise, co...

  2. Phonon dispersion in vanadium

    International Nuclear Information System (INIS)

    Ivanov, A.S.; Rumiantsev, A.Yu.

    1999-01-01

    Complete text of publication follows. Phonon dispersion curves in Vanadium metal are investigated by neutron inelastic scattering using three-axis spectrometers. Due to extremely low coherent scattering amplitude of neutrons in natural isotope mixture of vanadium the phonon frequencies could be determined in the energy range below about 15 meV. Several phonon groups were measured with the polarised neutron scattering set-up. It is demonstrated that the intensity of coherent inelastic scattering observed in the non-spin-flip channel vanishes in the spin-flip channel. The phonon density of states is measured on a single crystal keeping the momentum transfer equal to a vector of reciprocal lattice where the coherent inelastic scattering is suppressed. Phonon dispersion curves in vanadium, as measured by neutron and earlier by X-ray scattering, are described in frames of a charge-fluctuation model involving monopolar and dipolar degrees of freedom. The model parameters are compared for different transition metals with body-centred cubic-structure. (author)

  3. Phonon dispersion in Be

    International Nuclear Information System (INIS)

    Sharma, R.P.; Sharma, A.K.; Sharma, S.; Sinha, H.P.

    1979-01-01

    In a study of the lattice dynamics of Be a simple scheme has been developed in which the pairwise and long range forces are accounted on the lines of nonlocal theory and the short range three-body forces are included. This procedure of calculations has been applied to compute the phonon dispersion in Be and the results of investigation have been compared with the experimental data. (author)

  4. Measurement of surface phonon dispersion relations for LiF, NaF, and KCl through energy-analysed inelastic scattering of a helium atomic beam

    International Nuclear Information System (INIS)

    Doak, R.B.

    1981-01-01

    A crystal surface terminates abruptly one dimension of lattice periodicity, constituting a lattice defect with concomitant localized modes of vibration, termed surface phonons. Such surface phonons have previously been investigated in the long wavelength, non-dispersive regime. The present work reports the first observation of surface phonons in the short wavelength, dispersive range. The data allow for the first time a surface phonon dispersion curve to be plotted completely from origin to edge of the surface Brillouin zone. Measurements were made of phonons along the (anti GAMMA anti M) and (anti GAMMA anti X) azimuths of the LiF(001) surface and along the azimuth of NaF(001) and KC1(001) surfaces. The results are in substantial agreement with theoretical predictions, although for LiF the measured Rayleigh dispersion curve at M lies appreciably below the theoretical value, possibly reflecting the effects of surface relaxation. (orig.)

  5. Structure factors and phonon dispersion in liquid

    Indian Academy of Sciences (India)

    2Electronics Department, Narmada College of Science and Commerce, Bharuch 392 011,. India. E-mail: apratapmsu@yahoo.com. Abstract. The phonon spectra for .... Structure factors and phonon dispersion in liquid Li0.61Na0.39 alloy. [5] U Balucani and M Zoppi, Dynamics of the liquid state (Clarendon, Oxford, 1994).

  6. Phonon dispersion curves for CsCN

    International Nuclear Information System (INIS)

    Gaur, N.K.; Singh, Preeti; Rini, E.G.; Galgale, Jyostna; Singh, R.K.

    2004-01-01

    The motivation for the present work was gained from the recent publication on phonon dispersion curves (PDCs) of CsCN from the neutron scattering technique. We have applied the extended three-body force shell model (ETSM) by incorporating the effect of coupling between the translation modes and the orientation of cyanide molecules for the description of phonon dispersion curves of CsCN between the temperatures 195 and 295 K. Our results on PDCs in symmetric direction are in good agreement with the experimental data measured with inelastic neutron scattering technique. (author)

  7. Phonon dispersion curves of CsCN

    Indian Academy of Sciences (India)

    Abstract. The motivation for the present work was gained from the recent publication on phonon dispersion curves (PDCs) of CsCN from the neutron scattering technique. We have applied the extended three-body force shell model (ETSM) by incorporating the effect of coupling between the translation modes and the ...

  8. Phonon dispersion relation of liquid metals

    Indian Academy of Sciences (India)

    Abstract. The phonon dispersion curves of some liquid metals, viz. Na (Z = 1), Mg. (Z = 2), Al (Z = 3) and Pb (Z = 4), have been computed using our model potential. The charged hard sphere (CHS) reference system is applied to describe the structural information. Our model potential along with CHS reference system is ...

  9. Phonon dispersion relations for caesium thiocyanate

    International Nuclear Information System (INIS)

    Irving, M.A.; Smith, T.F.; Elcombe, M.M.

    1984-01-01

    Room temperature phonon dispersion relations for frequencies below 2 THz have been measured, along the three orthorhombic axes and selected diagonal directions by neutron inelastic scattering, for caesium thiocyanate. These curves, which represent 13 acoustic modes and 11 optic modes of vibration, do not agree with the dispersion behaviour calculated from the rigid-ion model developed by Ti and Ra to describe their Raman scattering observations

  10. Acoustic phonon dispersion of CoSi2

    International Nuclear Information System (INIS)

    Weiss, L.; Rumyantsev, A.Yu.; Ivanov, A.S.

    1985-01-01

    The acoustical phonon dispersion curves of CoSi 2 are measured at room temperature along the main symmetry directions by means of coherent one-phonon scattering of thermal neutrons. The dispersion curves are compared with those of Ge, Si, and the fluorite structure types as CaF 2 and UO 2 . From the slope of the phonon dispersion curves at the GAMMA-point the elastic constants have been obtained

  11. Phonon lineshapes in atom-surface scattering

    Energy Technology Data Exchange (ETDEWEB)

    MartInez-Casado, R [Department of Chemistry, Imperial College London, South Kensington, London SW7 2AZ (United Kingdom); Sanz, A S; Miret-Artes, S [Instituto de Fisica Fundamental, Consejo Superior de Investigaciones CientIficas, Serrano 123, E-28006 Madrid (Spain)

    2010-08-04

    Phonon lineshapes in atom-surface scattering are obtained from a simple stochastic model based on the so-called Caldeira-Leggett Hamiltonian. In this single-bath model, the excited phonon resulting from a creation or annihilation event is coupled to a thermal bath consisting of an infinite number of harmonic oscillators, namely the bath phonons. The diagonalization of the corresponding Hamiltonian leads to a renormalization of the phonon frequencies in terms of the phonon friction or damping coefficient. Moreover, when there are adsorbates on the surface, this single-bath model can be extended to a two-bath model accounting for the effect induced by the adsorbates on the phonon lineshapes as well as their corresponding lineshapes.

  12. Calculation Of Phonon Dispersion Frequencies For Bcc Tantalum ...

    African Journals Online (AJOL)

    The phonon dispersion frequencies are calculated from first principles for bcc Tantalum using a resonance pseudopotential model. It was also possible, using this scheme, to account for the anomalous feature of the Ta dispersion curve observed experimentally in the (ε,o,o,) direction where the frequencies of the transverse ...

  13. Structure factors and phonon dispersion in liquid

    Indian Academy of Sciences (India)

    Technology and Engineering, M.S. University of Baroda, Vadodara 390 001, India. 2Electronics Department, Narmada College of Science and Commerce, Bharuch 392 011,. India. E-mail: apratapmsu@yahoo.com. Abstract. The phonon spectra for liquid Li and Na have been computed through the phenomenological model ...

  14. DFT study of phonon dispersion in pure graphene

    Science.gov (United States)

    Mann, Sarita; Rani, Pooja; Kumar, Ranjan; Jindal, V. K.

    2015-08-01

    Ab-initio density functional perturbation theory (DFPT) study of pure graphene has been performed to study the phonon dispersion curve. The Specific heat at constant volume has been calculated and has been compared with theoretical and experimental results. The dynamical matrix has been calculated using VASP software under both simple DFT and DFPT approximation. The phonon frequencies have been calculated using phonopy code under harmonic approximation. The phonon frequencies are then used in calculating dispersion curve and specific heat at constant volume which is in reasonable agreement with available theoretical and experimental results for pure graphene. The specific heat of pristine graphene at constant value has been found to be 1.3 J g-1K-1.

  15. Ab initio phonon dispersions of face centered cubic Pb: effects of spin-orbit coupling

    International Nuclear Information System (INIS)

    Dal Corso, Andrea

    2008-01-01

    I present the ab initio phonon dispersions of face centered cubic Pb calculated within the framework of density functional perturbation theory, with plane waves and a fully relativistic ultrasoft pseudopotential which includes spin-orbit coupling effects. I find that, within the local density approximation, the theory gives phonon frequencies close to the experimental inelastic neutron scattering data. Many of the anomalies present in these dispersions are well reproduced by the fully relativistic pseudopotential theory and can be shown to appear only for small values of the smearing parameter that controls the sharpness of the Fermi surface.

  16. Phonon dispersions in graphene sheet and single-walled carbon ...

    Indian Academy of Sciences (India)

    generation reactive ... A better knowledge of the phonon dispersion of graphene is .... to the centre of cell (1)) is shown as an arrow. All the relevant lattice vectors thus obtained are listed below: r1 = (. 3b. 2. ) ˆx +. (√. 3b. 2. ) ˆy, r2 = 0ˆx +. √. 3b ˆy ...

  17. Phonon dispersion models for MgB{sub 2} with application of pressure

    Energy Technology Data Exchange (ETDEWEB)

    Alarco, Jose A., E-mail: jose.alarco@qut.edu.au; Talbot, Peter C., E-mail: p.talbot@qut.edu.au; Mackinnon, Ian D.R., E-mail: ian.mackinnon@qut.edu.au

    2017-05-15

    Highlights: • Ab initio DFT MgB{sub 2} phonon dispersion for pressures up to 20 GPa are presented. • Extent of E{sub 2g} phonon anomaly and thermal energy, T{sub δ,} are pressure dependent. • Phonon anomaly thermal energy equivalent to experimental T{sub c} values for MgB{sub 2}. • Computational method to measure T{sub δ} is an effective predictor of T{sub c}. - Abstract: We evaluate, via the Local Density and the Generalised Gradient Approximations to the Density Functional Theory (DFT), the change in form and extent of the E{sub 2g} phonon anomaly of MgB{sub 2} with increase in applied pressure up to 20 GPa. Ab initio DFT calculations on the phonon dispersion (PD) for MgB{sub 2} show a phonon anomaly symmetrically displaced around Γ, the reciprocal lattice origin. This anomaly is related to nesting between diametrically opposite sides of tubular elements of Fermi surfaces, which correspond to sigma bonding and run approximately parallel to the Γ–A reciprocal space direction. The anomaly is parallel to Γ–A and along Γ–M and Γ–K. The extent of the E{sub 2g} phonon anomaly, δ, along Γ–M and Γ–K is a measure of the thermal energy, T{sub δ}, that matches within error the experimental onset superconducting transition temperature, T{sub c}. Ab initio DFT calculations with pressure for −5 GPa < P < 20 GPa show a linear reduction in T{sub δ} that closely matches experimental T{sub c} values for MgB{sub 2}. For phonon-mediated superconductors with AlB{sub 2}–type structures, the thermal energy of the phonon anomaly, T{sub δ}, is a reliable predictor of T{sub c}.

  18. Simple model for phonon dispersion of nonstoichiometric transition metal carbides

    International Nuclear Information System (INIS)

    Splettstoesser, B.

    1977-09-01

    The simple shell model for the acoustic dispersion curves of ideal and nonstoichiometric Niobium Carbide is presented. The main emphasis is put on a qualitative understanding of the rather sharp dips, observed in some of the branches, and, in particular, their extreme sensitivity to C-vacancies. For comparison the 'normal' acoustic dispersion curves of TiC - which can be described with the same model - and their weak stoichiometry dependence are investigated. For both materials the one phonon cross section of the defect crystal is calculated in various approximations. The obtained phonon shifts and broadenings are small for TiC, but large for NbC in the dip regions - in good agreement with experimental results. Both, the dip structure observed for TaC and the 'normal' acoustic dispersion curves of HfC, ZrC can be described with our model as well. (orig.) [de

  19. The influence of the surface parameter changes onto the phonon states in ultrathin crystalline films

    Science.gov (United States)

    Šetrajčić, Jovan P.; Ilić, Dušan I.; Jaćimovski, Stevo K.

    2018-04-01

    In this paper, we have analytically investigated how the changes in boundary surface parameters influence the phonon dispersion law in ultrathin films of the simple cubic crystalline structure. Spectra of possible phonon states are analyzed using the method of two-time dependent Green's functions and for the diverse combination of boundary surface parameters, this problem was presented numerically and graphically. It turns out that for certain values and combinations of parameters, displacement of dispersion branches outside of bulk zone occurs, leading to the creation of localized phonon states. This fact is of great importance for the heat removal, electrical conductivity and superconducting properties of ultrathin films.

  20. Infrared surface phonon polariton waveguides on SiC Substrate

    Science.gov (United States)

    Yang, Yuchen; Manene, Franklin M.; Lail, Brian A.

    2015-08-01

    Surface plasmon polariton (SPP) waveguides harbor many potential applications at visible and near-infrared (NIR) wavelengths. However, dispersive properties of the metal in the waveguide yields weakly coupled and lossy plasmonic modes in the mid and long wave infrared range. This is one of the major reasons for the rise in popularity of surface phonon polariton (SPhP) waveguides in recent research and micro-fabrication pursuit. Silicon carbide (SiC) is a good candidate in SPhP waveguides since it has negative dielectric permittivity in the long-wave infrared (LWIR) spectral region, indicative that coupling to surface phonon polaritons is realizable. Introducing surface phonon polaritons for waveguiding provides good modal confinement and enhanced propagation length. A hybrid waveguide structure at long-wave infrared (LWIR) is demonstrated in which an eigenmode solver approach in Ansys HFSS was applied. The effect of a three layer configuration i.e., silicon wire on a benzocyclobutene (BCB) dielectric slab on SiC, and the effects of varying their dimensions on the modal field distribution and on the propagation length, is presented.

  1. Phonon dispersion models for MgB2 with application of pressure

    Science.gov (United States)

    Alarco, Jose A.; Talbot, Peter C.; Mackinnon, Ian D. R.

    2017-05-01

    We evaluate, via the Local Density and the Generalised Gradient Approximations to the Density Functional Theory (DFT), the change in form and extent of the E2g phonon anomaly of MgB2 with increase in applied pressure up to 20 GPa. Ab initio DFT calculations on the phonon dispersion (PD) for MgB2 show a phonon anomaly symmetrically displaced around Γ, the reciprocal lattice origin. This anomaly is related to nesting between diametrically opposite sides of tubular elements of Fermi surfaces, which correspond to sigma bonding and run approximately parallel to the Γ-A reciprocal space direction. The anomaly is parallel to Γ-A and along Γ-M and Γ-K. The extent of the E2g phonon anomaly, δ, along Γ-M and Γ-K is a measure of the thermal energy, Tδ, that matches within error the experimental onset superconducting transition temperature, Tc. Ab initio DFT calculations with pressure for -5 GPa mediated superconductors with AlB2-type structures, the thermal energy of the phonon anomaly, Tδ, is a reliable predictor of Tc.

  2. Relaxation between electrons and surface phonons of a ...

    Indian Academy of Sciences (India)

    Abstract. The energy relaxation between the hot degenerate electrons of a homoge- neously photoexcited metal film and the surface phonons (phonon wave vectors in two dimensions) is considered under Debye approximation. The state of electrons and phonons is described by equilibrium Fermi and Bose functions with ...

  3. Relaxation between electrons and surface phonons of a ...

    Indian Academy of Sciences (India)

    The energy relaxation between the hot degenerate electrons of a homogeneously photoexcited metal film and the surface phonons (phonon wave vectors in two dimensions) is considered under Debye approximation. The state of electrons and phonons is described by equilibrium Fermi and Bose functions with different ...

  4. Analysis of Lattice Thermal Conductivity of Si Considering the Effect of Phonon Dispersion on Three-phonon Processes

    Science.gov (United States)

    He, Ping; Li, Zhijian

    2001-03-01

    In this work we present the new relaxation time expressions considering the detailed information of the phonon dispersion. For the three-phonon processes, it is found that only limited types of three-phonon processes are allowed to occur and the attenuation of phonon that conduct heat varies roughly with the fifth power of frequency. By using these expressions, the data of thermal conductivity of bulk silicon is well fitted. And further, the data for thin films of single crystal silicon which cannot be well fitted by the widely used model that proposed by Holland is also well fitted using the new expressions for three-phonon processes and parameters got at the previous step.

  5. Phonon dispersion relation in zircon, ZrSiO4 using inelastic neutron scattering at a pulsed neutron source

    International Nuclear Information System (INIS)

    Mittal, R.; Chaplot, S.L.; Parthasarathy, R.; Bull, M.J.; Harris, M.J.

    2000-01-01

    The coherent inelastic neutron scattering technique is used for the measurements of phonon dispersion relation in a geophysically important mineral zircon using PRISMA spectrometer as ISIS, UK. Lattice dynamical calculations of the phonon dispersion relation are carried out using a shell model. The one-phonon structure factors are calculated for selecting the Bragg points for the measurements and assignment of phonons to different branches. The calculations are in good agreement with the measured phonon dispersion relation. (author)

  6. On Phonons in Simple Metals II. Calculated Dispersion Curves In Aluminium

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, R. [AB Atomenergi, Nykoeping (Sweden); Westin, A. [Dept. of Theore tical Physics, Univ. of Uppsala, Uppsala (Sweden)

    1969-07-15

    The real part of the dynamical matrix, derived earlier in a weak local potential ion-electron interaction model of the metal, is investigated in the case of aluminium. It is shown that the free electron, or Lindhard, dielectric function leads to a picture of the metal which is inconsistent with the dHvA observations of the Fermi surface. By adjusting one parameter, however, the experimental phonon frequencies are reproduced satisfactorily. Even some simple structure in the derivative d{omega}/dq can be reproduced in this way. Although corrections to the Lindhard dielectric matrix give no essential contributions to the dynamical matrix, the first order corrections, which are the most important, can explain the observed Fermi surface. Much of the observed structure in the phonon dispersion curves seems also to be due to these non-diagonal terms in the dielectric matrix.

  7. Experimental CC stretching phonon dispersion curves and electron phonon coupling in polyene derivatives

    Science.gov (United States)

    Bianco, A.; Del Zoppo, M.; Zerbi, G.

    2004-01-01

    We analyze the infrared and Raman spectra (both experimentally and with the aid of quantum chemical calculations) of a series of polyenals which provide us with the fortunate case of a set of polyene chains with one of the end groups consisting of a C=O group which not only does take part in the conjugation but also pulls electrons from the chain making the whole system highly polar, thus affecting the vibrational transition moments. In the following we show, for the first time, that it is possible to derive experimental phonon dispersion curves and these prove to be different for each chain length. We support our experimental findings with Density Functional Theory quantum chemical calculations which reproduce with sufficient accuracy the IR and Raman spectral pattern and at the same time help in disentangling the assignment of the fine structure observed in the experimental spectra.

  8. Subwavelength waveguiding of surface phonons in pillars-based phononic crystal

    Directory of Open Access Journals (Sweden)

    Mahmoud Addouche

    2014-12-01

    Full Text Available In this study, we theoretically analyze the guiding of surface phonons through locally resonant defects in pillars-based phononic crystal. Using finite element method, we simulate the propagation of surface phonons through a periodic array of cylindrical pillars deposited on a semi-infinite substrate. This structure displays several band gaps, some of which are due to local resonances of the pillar. By introducing pillar defects inside the phononic structure, we show the possibility to perform a waveguiding of surface phonons based on two mechanisms that spatially confine the elastic energy in very small waveguide apertures. A careful choice of the height of the defect pillars, allows to shift the frequency position of the defect modes inside or outside the locally resonant band gaps and create two subwavelenght waveguiding mechanisms. The first is a classical mechanism that corresponds to the presence of the defect modes inside the locally resonant band gap. The seconde is due to the hybridation between the phonon resonances of defect modes and the surface phonons of the semi-infinite homogenous medium. We discuss the nature and the difference between both waveguiding phenomena.

  9. Phonon anomalies and electron-phonon coupling of metal surfaces and thin films; Phononenanomalien und Elektron-Phonon-Kopplung an Metalloberflaechen und duennen Schichten

    Energy Technology Data Exchange (ETDEWEB)

    Flach, B.

    2000-01-01

    This thesis has two topics: One is the investigation of an adsorbate induced phonon anomaly on W(110) and Mo{sub 1-x}Re{sub x}(110) (x = 5, 15, 25%) with inelastic helium atom scattering (HAS). The other one is the study of the growth, morphology and dynamics of ultra-thin lithium films deposited on W(110). In 1992 a giant phonon anomaly was found by J. Luedecke on the hydrogen saturated W(110) and Mo(110) surfaces. The anomaly consists of a deep and sharp indentation in the phonon dispersion curves in which the phonon energy nearly drops to zero ({omega}{sub 1}). In addition, a small and broad dip in the surface Rayleigh mode is observed ({omega}{sub 2}). The anomaly appears in the anti {gamma}-H- as well as in the anti {gamma}-S-direction of the surface Brillouin zone (SBZ). Since its first discovery, numerous other experimental and theoretical studies have followed. In the present work the effects is reinvestigated and experimental parameters, such as the crystal temperature and the incident energy, were changed in order to study their influence on the anomalous phonon behavior. In the case of H/Mo(110) the substrate was changed as well by alloying with small amounts of rhenium. In the present experiments a strong crystal temperature dependence of the {omega}{sub 2}-branch was found which leads to lower energies at the 'dip' for smaller temperatures, while the {omega}{sub 1}-anomaly remains unchanged. Such behavior agrees well with the picture that the {omega}{sub 2}-branch is due to a Kohn anomaly. (orig.)

  10. A Neutron Study for Phonon Dispersion Relations in HgTe

    DEFF Research Database (Denmark)

    Kepa, H.; Gebicki, W.; Giebultowicz, T.

    1980-01-01

    Dispersion relations for acoustic phonons in mercury telluride in three high symmetry directions [111], [110] and [001] are presented. The eleven-parameter rigid-ion model is fitted to the experimental data....

  11. Phonon dynamics of the Sn/Ge(111)-(3 x 3) surface

    International Nuclear Information System (INIS)

    Farias, D.; Kaminski, W.; Lobo, J.; Ortega, J.; Hulpke, E.; Perez, R.; Flores, F.; Michel, E.G.

    2004-01-01

    We present a theoretical and experimental study on the phonon dynamics of the low-temperature Sn/Ge(111)-(3 x 3) structure. High-resolution helium atom scattering (HAS) data show that, besides the Rayleigh wave, there are three surface phonon branches with low dispersion related to the (3 x 3) surface phase. Their energies are approximately 6.5, 4, and 3meV at the Γ-bar point. In addition, we detect phonon peaks in the Q range 0.4-0.5A -1 at ∼2meV, which correspond to (3 x 3) folding of the Rayleigh wave. Ab initio DFT-GGA total energy calculations have been performed to determine the frequencies associated with the vertical displacements of the three Sn atoms in the unit cell. The values obtained are in good agreement with the experiment

  12. Optical phonon features of triclinic montebrasite : dispersion analysis and non-polar Raman modes.

    OpenAIRE

    Almeida, Rafael M.; Höfer, Sonja; Mayerhöfer, Thomas G.; Popp, Jürgen; Krambrock, Klaus; Lobo, Ricardo P. S. M.; Dias, Anderson; Moreira, Roberto Luiz

    2015-01-01

    Polarized infrared and Raman spectra of triclinic LiAl(PO4)(OH) [montebrasite] single crystal were recorded for appropriate optical configurations. Dispersion analysis was applied on the infrared reflectivity spectra taken at low incidence angle (11 ) to determine the oscillator parameters and the dipole directions of the polar phonons. In particular, all the 27 polar phonons, predicted by group theory for triclinic P1 structure,were determined. The obtained dielectric tensor para...

  13. Electromagnetic excitation of phonons at C(001) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Perez-Sanchez, F L [Escuela de Ciencias, Universidad Autonoma ' Benito Juarez' de Oaxaca, Avenida Universidad S/N, Ex-Hacienda de Cinco Senores, Ciudad Universitaria, Oaxaca de Juarez, Oaxaca, 68120 (Mexico); Perez-Rodriguez, F, E-mail: fperez@sirio.ifuap.buap.m [Instituto de Fisica, Benemerita Universidad Autonoma de Puebla, Apartado Post. J-48, Puebla 72570 (Mexico)

    2009-09-02

    The photon-phonon coupling at C(001)-(2 x 1) surfaces and its manifestation in far-infrared reflectance anisotropy spectra (FIR-RAS) are theoretically investigated. We solve the coupled system of equations for the electromagnetic field and lattice vibrations, described within the adiabatic bond charge model (ABCM), with the method of expansion into bulk phonon and photon modes. The calculated FIR-RAS exhibit resonances associated with zone-center surface phonons in good agreement with available HREELS experiments and predictions of vibrational modes for diamond (001)-(2 x 1) surfaces from ABCM and ab initio calculations. Interestingly, the reflectance anisotropy spectra for a C(001)-(2 x 1) surface turn out to be qualitatively different from the spectra for a Si(001)-(2 x 1) surface, reported previously.

  14. Electromagnetic excitation of phonons at C(001) surfaces

    International Nuclear Information System (INIS)

    Perez-Sanchez, F L; Perez-Rodriguez, F

    2009-01-01

    The photon-phonon coupling at C(001)-(2 x 1) surfaces and its manifestation in far-infrared reflectance anisotropy spectra (FIR-RAS) are theoretically investigated. We solve the coupled system of equations for the electromagnetic field and lattice vibrations, described within the adiabatic bond charge model (ABCM), with the method of expansion into bulk phonon and photon modes. The calculated FIR-RAS exhibit resonances associated with zone-center surface phonons in good agreement with available HREELS experiments and predictions of vibrational modes for diamond (001)-(2 x 1) surfaces from ABCM and ab initio calculations. Interestingly, the reflectance anisotropy spectra for a C(001)-(2 x 1) surface turn out to be qualitatively different from the spectra for a Si(001)-(2 x 1) surface, reported previously.

  15. Phonon dispersions in graphene sheet and single-walled carbon ...

    Indian Academy of Sciences (India)

    Abstract. In the present research paper, phonons in graphene sheet have been calculated by constructing a dynamical matrix using the force constants derived from the second-generation reactive empirical bond order potential by Brenner and co-workers. Our results are comparable to inelastic X-ray scattering as well as ...

  16. Terahertz instability of surface optical-phonon polaritons that interact with surface plasmon polaritons in the presence of electron drift

    International Nuclear Information System (INIS)

    Sydoruk, O.; Solymar, L.; Shamonina, E.; Kalinin, V.

    2010-01-01

    Traveling-wave interaction between optical phonons and electrons drifting in diatomic semiconductors has potential for amplification and generation of terahertz radiation. Existing models of this interaction were developed for infinite materials. As a more practically relevant configuration, we studied theoretically a finite semiconductor slab surrounded by a dielectric. This paper analyzes the optical-phonon instability in the slab including the Lorentz force and compares it to the instability in an infinite material. As the analysis shows, the slab instability occurs because of the interaction of surface optical-phonon polaritons with surface plasmon polaritons in the presence of electron drift. The properties of the instability depend on the slab thickness when the thickness is comparable to the wavelength. For large slab thicknesses, however, the dispersion relation of the slab is similar to that of an infinite material, although the coupling is weaker. The results could be used for the design of practical terahertz traveling-wave oscillators and amplifiers.

  17. Full-dispersion Monte Carlo simulation of phonon transport in micron-sized graphene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Mei, S., E-mail: smei4@wisc.edu; Knezevic, I., E-mail: knezevic@engr.wisc.edu [Department of Electrical and Computer Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States); Maurer, L. N. [Department of Physics, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States); Aksamija, Z. [Department of Electrical and Computer Engineering, University of Massachusetts-Amherst, Amherst, Massachusetts 01003 (United States)

    2014-10-28

    We simulate phonon transport in suspended graphene nanoribbons (GNRs) with real-space edges and experimentally relevant widths and lengths (from submicron to hundreds of microns). The full-dispersion phonon Monte Carlo simulation technique, which we describe in detail, involves a stochastic solution to the phonon Boltzmann transport equation with the relevant scattering mechanisms (edge, three-phonon, isotope, and grain boundary scattering) while accounting for the dispersion of all three acoustic phonon branches, calculated from the fourth-nearest-neighbor dynamical matrix. We accurately reproduce the results of several experimental measurements on pure and isotopically modified samples [S. Chen et al., ACS Nano 5, 321 (2011);S. Chen et al., Nature Mater. 11, 203 (2012); X. Xu et al., Nat. Commun. 5, 3689 (2014)]. We capture the ballistic-to-diffusive crossover in wide GNRs: room-temperature thermal conductivity increases with increasing length up to roughly 100 μm, where it saturates at a value of 5800 W/m K. This finding indicates that most experiments are carried out in the quasiballistic rather than the diffusive regime, and we calculate the diffusive upper-limit thermal conductivities up to 600 K. Furthermore, we demonstrate that calculations with isotropic dispersions overestimate the GNR thermal conductivity. Zigzag GNRs have higher thermal conductivity than same-size armchair GNRs, in agreement with atomistic calculations.

  18. Enhanced Electron-Phonon Coupling at Metal Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Plummer, Ward E.

    2010-08-04

    The Born-Oppenheimer approximation (BOA) decouples electronic from nuclear motion, providing a focal point for most quantum mechanics textbooks. However, a multitude of important chemical, physical and biological phenomena are driven by violations of this approximation. Vibronic interactions are a necessary ingredient in any process that makes or breaks a covalent bond, for example, conventional catalysis or enzymatically delivered biological reactions. Metastable phenomena associated with defects and dopants in semiconductors, oxides, and glasses entail violation of the BOA. Charge exchange in inorganic polymers, organic slats and biological systems involves charge- induced distortions of the local structure. A classic example is conventional superconductivity, which is driven by the electron-lattice interaction. High-resolution angle-resolved photoemission experiments are yielding new insight into the microscopic origin of electron-phonon coupling (EPC) in anisotropic two-dimensional systems. Our recent surface phonon measurement on the surface of a high-Tc material clearly indicates an important momentum dependent EPC in these materials. In the last few years we have shifted our research focus from solely looking at electron phonon coupling to examining the structure/functionality relationship at the surface of complex transition metal compounds. The investigation on electron phonon coupling has allowed us to move to systems where there is coupling between the lattice, the electrons and the spin.

  19. Acoustic modes of the phonon dispersion relation of NbD/sub x/ alloys

    International Nuclear Information System (INIS)

    Rowe, J.M.; Vagelatos, N.; Rush, J.J.; Flotow, H.E.

    1975-01-01

    The acoustic modes of the phonon dispersion relation in Nb, NbD 0 . 15 , and NbD 0 . 45 were measured at 473 0 K for phonons with wave vectors along the [100], [110], and [111] axes by coherent neutron scattering. The observed neutron groups for both alloys were well defined, with little or no apparent broadening. Results are compared to similar data for Nb--Mo alloys and with previous lattice-dynamics results for PdD 0 . 63 . This comparison shows that despite differences in detail, the general features of the dispersion relations of NbD/sub x/ and Nb--Mo are similar after allowing for the differences in lattice parameters for the two alloys. The measured dispersion curves and derived phonon frequency distributions for the Nb--D alloys are quite different from the analogous results for PdD 0 . 63 in that the average acoustic phonon frequencies increase with increasing deuterium concentration and lattice parameter

  20. The determination of the acoustical phonon dispersion branches of CePd3 by inelastic neutron diffraction

    International Nuclear Information System (INIS)

    Severing, A.

    1985-07-01

    The result of this thesis is, that the phonon dispersion of CePd 3 , measured by inelastic neutron scattering, does not show any phonon softening effects due to valence fluctuations as it is observed in the phonon dispersion spectra of TmSe, SmS under pressure and SMsub(.75)Ysub(.25)S in dependence of the temperature. Even at low temperature no softening effects could be detected in comparison to the room temperature data. However we see indications for the existence of intermediate valence induced electron-phonon couplings in the linewidth of the longitudinal acoustic phonon in -direction with reduced wavevector xi=0.2. This phonon seems to be broadened at 135 K. If this broadening is a real intermediate valence effect, this effects manifest themselves much weaker in CePd 3 than in the substances with NaCl-structure. The question whether such couplings realy exist can only be answered by further measurements. (orig.)

  1. Phonon Surface Scattering and Thermal Energy Distribution in Superlattices.

    Science.gov (United States)

    Kothari, Kartik; Maldovan, Martin

    2017-07-17

    Thermal transport at small length scales has attracted significant attention in recent years and various experimental and theoretical methods have been developed to establish the reduced thermal conductivity. The fundamental understanding of how phonons move and the physical mechanisms behind nanoscale thermal transport, however, remains poorly understood. Here we move beyond thermal conductivity calculations and provide a rigorous and comprehensive physical description of thermal phonon transport in superlattices by solving the Boltzmann transport equation and using the Beckman-Kirchhoff surface scattering theory with shadowing to precisely describe phonon-surface interactions. We show that thermal transport in superlattices can be divided in two different heat transport modes having different physical properties at small length scales: layer-restricted and extended heat modes. We study how interface conditions, periodicity, and composition can be used to manipulate the distribution of thermal energy flow among such layer-restricted and extended heat modes. From predicted frequency and mean free path spectra of superlattices, we also investigate the existence of wave effects. The results and insights in this paper advance the fundamental understanding of heat transport in superlattices and the prospects of rationally designing thermal systems with tailored phonon transport properties.

  2. Magnon and phonon dispersion, lifetime, and thermal conductivity of iron from spin-lattice dynamics simulations

    Science.gov (United States)

    Wu, Xufei; Liu, Zeyu; Luo, Tengfei

    2018-02-01

    In recent years, the fundamental physics of spin-lattice (e.g., magnon-phonon) interaction has attracted significant experimental and theoretical interests given its potential paradigm-shifting impacts in areas like spin-thermoelectrics, spin-caloritronics, and spintronics. Modelling studies of the transport of magnons and phonons in magnetic crystals are very rare. In this paper, we use spin-lattice dynamics (SLD) simulations to model ferromagnetic crystalline iron, where the spin and lattice systems are coupled through the atomic position-dependent exchange function, and thus the interaction between magnons and phonons is naturally considered. We then present a method combining SLD simulations with spectral energy analysis to calculate the magnon and phonon harmonic (e.g., dispersion, specific heat, and group velocity) and anharmonic (e.g., scattering rate) properties, based on which their thermal conductivity values are calculated. This work represents an example of using SLD simulations to understand the transport properties involving coupled magnon and phonon dynamics.

  3. Surface acoustic waves in two dimensional phononic crystal with anisotropic inclusions

    Directory of Open Access Journals (Sweden)

    Ketata H.

    2012-06-01

    Full Text Available An analysis is given to the band structure of the two dimensional solid phononic crystal considered as a semi infinite medium. The lattice includes an array of elastic anisotropic materials with different shapes embedded in a uniform matrix. For illustration two kinds of phononic materials are assumed. A particular attention is devoted to the computational procedure which is mainly based on the plane wave expansion (PWE method. It has been adapted to Matlab environment. Numerical calculations of the dispersion curves have been achieved by introducing particular functions which transform motion equations into an Eigen value problem. Significant improvements are obtained by increasing reasonably the number of Fourier components even when a large elastic mismatch is assumed. Such approach can be generalized to different types of symmetry and permit new physical properties as piezoelectricity to be added. The actual semi infinite phononic structure with a free surface has been shown to support surface acoustic waves (SAW. The obtained dispersion curves reveal band gaps in the SAW branches. It has been found that the influence, of the filling factor and anisotropy on their band gaps, is different from that of bulk waves.

  4. Study of Phonon Dispersion Relations in Cuprous Oxide by Inelastic Neutron Scattering

    DEFF Research Database (Denmark)

    Beg, M. M.; Shapiro, S. M.

    1976-01-01

    Phonon dispersion relations in Cu2O have been studied at 20°C using inelastic neutron scattering. Seven acoustic branches and twelve optical branches have been studied in detail in the three symmetry directions [00ζ], [ζζ0], and [ζζζ] of the cubic lattice. Four of the six zone-center phonons have...... been observed and the assignments and energies are confirmed as Γ25=87±2 cm-1, Γ12′=105±3 cm-1, Γ15=146±1 cm-1, and Γ2′≈347 cm-1. The dispersion relations agree only qualitatively with the rigid-ion-model calculations. It is suggested that more detailed calculations may be performed in the light...

  5. Dispersion, mode-mixing and the electron-phonon interaction in nanostructures

    Science.gov (United States)

    Dyson, A.; Ridley, B. K.

    2018-03-01

    The electron-phonon interaction with polar optical modes in nanostructures is re-examined in the light of phonon dispersion relations and the role of the Fuchs-Kliewer (FK) mode. At an interface between adjacent polar materials the frequencies of the FK mode are drawn from the dielectric constants of the adjacent materials and are significantly smaller than the corresponding frequencies of the longitudinal optic (LO) modes at the zone centre. The requirement that all polar modes satisfy mechanical and electrical boundary conditions forces the modes to become hybrids. For a hybrid to have both FK and LO components the LO mode must have the FK frequency, which can only come about through the reduction associated with phonon dispersion relations. We illustrate the effect of phonon dispersion relations on the Fröhlich interaction by considering a simple linear-chain model of the zincblende lattice. Optical and acoustic modes become mixed towards short wavelengths in both optical and acoustic branches. A study of GaAs, InP and cubic GaN and AlN shows that the polarity of the optical branch and the acousticity of the acoustic branch are reduced by dispersion in equal measures, but the effect is relatively weak. Coupling coefficients quantifying the strengths of the interaction with electrons for optical and acoustic components of mixed modes in the optical branch show that, in most cases, the polar interaction dominates the acoustic interaction, and it is reduced from the long-wavelength result towards the zone boundary by only a few percent. The effect on the lower-frequency FK mode can be large.

  6. Structure factors and phonon dispersion in liquid Li0.61Na0.39 alloy

    International Nuclear Information System (INIS)

    Pratap, Arun; Lad, Kirit N.; Raval, K.G.

    2004-01-01

    The phonon spectra for liquid Li and Na have been computed through the phenomenological model of Bhatia and Singh for disordered systems like liquids and glasses and the obtained results have been compared with the available data obtained by inelastic neutron scattering (INS) and inelastic X-ray scattering (IXS) experiments. The effective pair potentials and their space derivatives are important ingredients in the computation of the dispersion curves. The pair potentials are obtained using the pseudo-potential theory. The empty core model proposed by Ashcroft is widely used for pseudo-potential calculations for alkali metals. But, it is thought to be unsuitable for Li because of its simple 1s electronic structure. However, it can be used with an additional term known as Born-Mayer (BM) core term. The influence of the BM core term on the phonon dispersion is discussed. The same pseudo-potential formalism has been employed to obtain the dispersion relation in liquid Li 0.61 Na 0.39 alloy. Apart from the phonon spectra, the Ashcroft-Langreth structure factors in the alloy are derived in the Percus-Yevick approximation. (author)

  7. Strong Energy-momentum Dispersion of Phonon Dressed Carriers in the Lightly Doped Band Insulator SrTiO3

    Energy Technology Data Exchange (ETDEWEB)

    Meevasana, Warawat

    2010-05-26

    Much progress has been made recently in the study of the effects of electron-phonon (el-ph) coupling in doped insulators using angle resolved photoemission (ARPES), yielding evidence for the dominant role of el-ph interactions in underdoped cuprates. As these studies have been limited to doped Mott insulators, the important question arises how this compares with doped band insulators where similar el-ph couplings should be at work. The archetypical case is the perovskite SrTiO{sub 3} (STO), well known for its giant dielectric constant of 10000 at low temperature, exceeding that of La{sub 2}CuO{sub 4} by a factor of 500. Based on this fact, it has been suggested that doped STO should be the archetypical bipolaron superconductor. Here we report an ARPES study from high-quality surfaces of lightly doped SrTiO{sub 3}. Comparing to lightly doped Mott insulators, we find the signatures of only moderate electron-phonon coupling: a dispersion anomaly associated with the low frequency optical phonon with a {lambda}{prime} {approx} 0.3 and an overall bandwidth renormalization suggesting an overall {lambda}{prime} {approx} 0.7 coming from the higher frequency phonons. Further, we find no clear signatures of the large pseudogap or small polaron phenomena. These findings demonstrate that a large dielectric constant itself is not a good indicator of el-ph coupling and highlight the unusually strong effects of the el-ph coupling in doped Mott insulators.

  8. Rayleigh waves, surface disorder, and phonon localization in nanostructures

    Science.gov (United States)

    Maurer, L. N.; Mei, S.; Knezevic, I.

    2016-07-01

    We introduce a technique to calculate thermal conductivity in disordered nanostructures: a finite-difference time-domain solution of the elastic-wave equation combined with the Green-Kubo formula. The technique captures phonon wave behavior and scales well to nanostructures that are too large or too surface disordered to simulate with many other techniques. We investigate the role of Rayleigh waves and surface disorder on thermal transport by studying graphenelike nanoribbons with free edges (allowing Rayleigh waves) and fixed edges (prohibiting Rayleigh waves). We find that free edges result in a significantly lower thermal conductivity than fixed ones. Free edges both introduce Rayleigh waves and cause all low-frequency modes (bulk and surface) to become more localized. Increasing surface disorder on free edges draws energy away from the center of the ribbon and toward the disordered edges, where it gets trapped in localized surface modes. These effects are not seen in ribbons with fixed boundary conditions and illustrate the importance of phonon-surface modes in nanostructures.

  9. Phonon dispersion in the ferromagnetic shape memory alloy Ni2MnGa studied by neutron spectroscopy

    International Nuclear Information System (INIS)

    Vorderwisch, P.; Shapiro, S.M.

    2006-01-01

    Neutron spectroscopy is an ideal technique to study the structure and dynamics of crystals. For the ferromagnetic shape memory alloy Ni 2 MnGa, all previously obtained information from inelastic neutron scattering experiments is restricted to the phonon dispersion in the austenitic (fcc) phase of alloys with different compositions. For the (tetragonally distorted) martensitic phase recent inelastic neutron scattering data are presented. These new data were taken on a single crystal with stoichiometric composition. A single-variant martensitic phase of the sample has been obtained by the application of magnetic fields in horizontal or vertical direction with respect to the scattering plane used in the experiments. The measured phonon-dispersion curves are compared with recently published ab initio (zero-temperature) phonon-dispersion calculations. The anomalous phonon behavior observed in both, the austenitic and martensitic phase is discussed

  10. Estimation of Phonon Dispersion Relations Using Correlation Effects Among Thermal Displacements of Atoms

    Directory of Open Access Journals (Sweden)

    Y. Ishikawa

    2015-04-01

    Full Text Available Neutron diffraction measurement of powder α-Fe sample at 295 K was carried out at the high resolution powder diffractometer installed at Japan Proton Accelerator Research Complex (J-PARC. Crystal parameters were determined from Rietveld analysis. The correlation effects among thermal displacements of atoms were estimated from a generalized equation based on the results of fomer diffuse scattering analysis. The force constants among atoms were obtained using an equation for transforming of the correlation effects to force constants. The force constants and the crystal structure of α-Fe were used to estimate the phonon dispersion relations, phonon density of states, and specific heat by computer simulation. The obtained force constants among first-nearest-neighboring atoms is 2.3 eV/Å2 at 295 K and the specific heat is 185 meV/K at 150 K. The calculated phonon dispersion relations and specific heat of α-Fe are similar to those obtained from inelastic neutron scattering and specific heat measurements, respectively

  11. Compositional Variation of the Phonon Dispersion Curves of bcc Fe-Ga Alloys

    International Nuclear Information System (INIS)

    Zarestky, Jerel L.; Garlea, Vasile O.; Lograsso, Tom; Schlagel, D.L.; Stassis, C.

    2005-01-01

    Inelastic neutron scattering techniques have been used to measure the phonon dispersion curves of bcc Fe1-xGax x=10.8, 13.3, 16.0, 22.5 alloys as a function of Ga concentration. The phonon frequencies of every branch were found to decrease significantly with increasing Ga concentration. The softening was most pronounced for the T2 0 branch and, to a lesser extent, the L branch in the vicinity of = 2 3. The concentration dependence of the shear elastic constant C =1/2 C11-C12 , calculated from the slope of the T2 0 branch, was found to agree with the results of sound velocity measurements. For the higher concentration sample measured, 22.5 at. % Ga, new branches appeared, an effect associated with the increase in the number of atoms per unit cell.

  12. Metals: Phonon states, electron states and Fermi surfaces. Subvolume a

    International Nuclear Information System (INIS)

    Dederichs, P.H.; Schober, H.; Sellmyer, D.J.

    1981-01-01

    This collection of tables and diagrams is the first contribution to a larger programme aiming at a complete and critical tabulation of reliable data relevant to metal physics. No such complete collection exists at present, and these tables should fill a long felt need of both experimentalists and theoreticians. Group III in the New Series of the Landolt-Boernstein tables deals with Crystal and Solid State Physics. Volume III/13 to which this subvolume 13a belongs will cover all data published up to 1980 on phonon and electron states and Fermi surfaces in metals. Both experimental and theoretical results are included. (orig./WL)

  13. Phonon dispersion curves determination in (delta)-phase Pu-Ga alloys

    Energy Technology Data Exchange (ETDEWEB)

    Wong, J; Clatterbuck, D; Occelli, F; Farber, D; Schwartz, A; Wall, M; Boro, C; Krisch, M; Beraud, A; Chiang, T; Xu, R; Hong, H; Zschack, P; Tamura, N

    2006-02-07

    We have designed and successfully employed a novel microbeam on large grain sample concept to conduct high resolution inelastic x-ray scattering (HRIXS) experiments to map the full phonon dispersion curves of an fcc {delta}-phase Pu-Ga alloy. This approach obviates experimental difficulties with conventional inelastic neutron scattering due to the high absorption cross section of the common {sup 239}Pu isotope and the non-availability of large (mm size) single crystal materials for Pu and its alloys. A classical Born von-Karman force constant model was used to model the experimental results, and no less than 4th nearest neighbor interactions had to be included to account for the observation. Several unusual features including, a large elastic anisotropy, a small shear elastic modulus, (C{sub 11}-C{sub 12})/2, a Kohn-like anomaly in the T{sub 1}[011] branch, and a pronounced softening of the T[111] branch towards the L point in the Brillouin are found. These features may be related to the phase transitions of plutonium and to strong coupling between the crystal structure and the 5f valence instabilities. Our results represent the first full phonon dispersions ever obtained for any Pu-bearing material, thus ending a 40-year quest for this fundamental data. The phonon data also provide a critical test for theoretical treatments of highly correlated 5f electron systems as exemplified by recent dynamical mean field theory (DMFT) calculations for {delta}-plutonium. We also conducted thermal diffuse scattering experiments to study the T(111) dispersion at low temperatures with an attempt to gain insight into bending of the T(111) branch in relationship to the {delta} {yields} {alpha}{prime} transformation.

  14. The non-pair forces and phonon dispersion in heavy alkali metals

    International Nuclear Information System (INIS)

    Aradhana, Km.; Rathore, R.P.S.

    1990-01-01

    Two types of non-pair forces, one from the Born-Mayer and the other from the Morse potential, are derived to discuss the response of electrons in heavy alkali metals, i.e., rubidium and cesium. The potentials are added to the two-body potential of Morse to account also for the ion-ion interactions. The potentials so obtained are employed to predict the phonon dispersion relations in bcc metals, which are also compared with recent precise neutron scattering data. (author). 1 fig, 3 tabs., 24 refs

  15. Nano-imaging and nano-spectroscopy of tunable surface phonon polaritons in hexagonal boron nitride

    Science.gov (United States)

    Dai, Siyuan; Fei, Zhe; Ma, Qiong; Rodin, Aleksandr; Wagner, Martin; McLeod, Alexander; Liu, Mengkun; Gannett, Will; Regan, William; Thiemens, Mark; Dominguez, Gerardo; Castro Neto, Antonio; Zettl, Alex; Keilmann, Fritz; Jarillo-Herrero, Pablo; Fogler, Michael; Basov, Dimitri

    2014-03-01

    Van der Waals crystals such as graphene, topological insulators, cuprate high-temperature superconductors, and many other layered structures reveal a rich variety of enigmatic electronic, photonic and magnetic properties. We report infrared (IR) nano-imaging of surface phonon polaritons in a prototypical van-der-Waals crystal: hexagonal boron nitride (hBN). In the setting of an antenna-based IR spectroscopic nanoscope, we accomplished launching, detecting, and real space imaging of the polaritonic waves. We were able to alter both the wavelength and the amplitude of such waves by varying the number of crystal layers in our specimens. We demonstrated a new nano-photonics method for mapping the polariton dispersion. The dispersion is shown to be governed by the crystal thickness according to a scaling law that persists down to a few monolayers. Our results point to novel functionalities of van-der-Waals crystals as reconfigurable nano-photonic materials.

  16. Raman selection rule of surface optical phonon in ZnS nanobelts

    KAUST Repository

    Ho, Chih-Hsiang

    2016-02-18

    We report Raman scattering results of high-quality wurtzite ZnS nanobelts (NBs) grown by chemical vapor deposition. In Raman spectrum, the ensembles of ZnS NBs exhibit first order phonon modes at 274 cm-1 and 350 cm-1, corresponding to A1/E1 transverse optical and A1/E1 longitudinal optical phonons, in addition with strong surface optical (SO) phonon mode at 329 cm-1. The existence of SO band is confirmed by its shift with different surrounding dielectric media. Polarization dependent Raman spectrum was performed on a single ZnS NB and for the first time SO phonon band has been detected on a single nanobelt. Different selection rules of SO phonon modeshown from their corresponding E1/A1 phonon modeswere attributed to the anisotropic translational symmetry breaking on the NB surface.

  17. Phonon dispersion relation of uranium nitrate above and below the Neel temperature

    International Nuclear Information System (INIS)

    Dolling, G.; Holden, T.M.; Evensson, E.C.; Buyers, W.J.L.; Lander, G.H.

    1977-01-01

    Neutron coherent inelastic scattering measurements have been made of the phonon dispersion relation of uranium nitride both above and below the Neel temperature T/sub N/ = 50 K. Within the precision of the measurements, about 1% in frequency and 10% in line width and in scattered neutron intensity, no significant changes in these phonon properties were observed as a function of temperature other than those arising from population factor changes and a small stiffening of the lattice as the temperature decreases. At 4.2 K, two acoustic and two optic branches have been determined for each of the [001], [110] and [111] directions. The optic mode measurements revealed (a) a 20% variation in frequency across the Brillouin zone and (b) an interesting disposition of the LO and TO modes, such that nu/sub LO/ > nu/sub TO/ along [001] and [110], while the reverse is true along the [111] directions. Within the experimental resolution, the LO and TO modes are degenerate near q = 0. We have been unable to obtain any satisfactory description of these results on the basis of conventional theoretical treatments (e.g. rigid-ion or shell models). Other possible interpretations of the results are discussed

  18. Phonon dispersion relation of uranium nitride above and below the Neel temperature

    International Nuclear Information System (INIS)

    Dolling, G.; Holden, T.M.; Svensson, E.C.; Buyers, W.J.L.; Lander, G.H.

    1977-01-01

    Neutron coherent inelastic scattering measurements have been made of the phonon dispersion relation of uranium nitride both above and below the Neel temperature T N = 50 K. Within the precision of the measurements, about 1% in frequency and 10% in line width and in scattered neutron intensity, no significant changes in these phonon properties were observed as a function of temperature other than those arising from population factor changes and a small stiffening of the lattice as the temperature decreases. At 4.2 K, two acoustic and two optic branches have been determined for each of the [001], [110] and [111] directions. The optic mode measurements revealed (a) a 20% variation in frequency across the Brillouin zone and (b) and interesting disposition of the LO and TO modes, such that ν LO > ν TO along [001] and [11-], while the reverse is true along the [111] directions. Within the experimental resolution, the LO and TO modes are degenerate near q = 0. We have been unable to obtain any satisfactory description of these results on the basis of conventional theoretical treatments (e.g. rigid-ion or shell models). Other possible interpretations of the results are discussed. (author)

  19. Phonon dispersion relations in PrBa2Cu3O6+x (x approximate to 0.2)

    DEFF Research Database (Denmark)

    Gardiner, C.H.; Boothroyd, A.T.; Larsen, B.H.

    2004-01-01

    We report measurements of the phonon dispersion relations in nonsuperconducting, oxygen-deficient PrBa2Cu3O6+x (xapproximate to0.2) by inelastic neutron scattering. The data are compared with a model of the lattice dynamics based on a common interatomic potential. Good agreement is achieved for all...

  20. Phonon dispersion relations in PrBa2Cu3O6+x (x≅0.2)

    International Nuclear Information System (INIS)

    Gardiner, C.H.; Boothroyd, A.T.; Larsen, B.H.; Reichardt, W.; Zhokhov, A.A.; Andersen, N.H.; Lister, S.J.S.; Wildes, A.R.

    2004-01-01

    We report measurements of the phonon dispersion relations in nonsuperconducting, oxygen-deficient PrBa 2 Cu 3 O 6+x (x≅0.2) by inelastic neutron scattering. The data are compared with a model of the lattice dynamics based on a common interatomic potential. Good agreement is achieved for all but two phonon branches, which are significantly softer than predicted. These modes are found to arise predominantly from motion of the oxygen ions in the CuO 2 planes. Analogous modes in YBa 2 Cu 3 O 6 are well described by the common interatomic potential model

  1. Picosecond phase-velocity dispersion of hypersonic phonons imaged with ultrafast electron microscopy

    International Nuclear Information System (INIS)

    Cremons, Daniel R.; Du, Daniel X.; Flannigan, David J.

    2017-01-01

    We describe the direct imaging—with four-dimensional ultrafast electron microscopy—of the emergence, evolution, dispersion, and decay of photoexcited, hypersonic coherent acoustic phonons in nanoscale germanium wedges. Coherent strain waves generated via ultrafast in situ photoexcitation were imaged propagating with initial phase velocities of up to 35 km/s across discrete micrometer-scale crystal regions. We then observe that, while each wave front travels at a constant velocity, the entire wave train evolves with a time-varying phase-velocity dispersion, displaying a single-exponential decay to the longitudinal speed of sound (5 km/s) and with a mean lifetime of 280 ps. We also find that the wave trains propagate along a single in-plane direction oriented parallel to striations introduced during specimen preparation, independent of crystallographic direction. Elastic-plate modeling indicates the dynamics arise from excitation of a single, symmetric (dilatational) guided acoustic mode. Further, by precisely determining the experiment time-zero position with a plasma-lensing method, we find that wave-front emergence occurs approximately 100 ps after femtosecond photoexcitation, which matches well with Auger recombination times in germanium. We conclude by discussing the similarities between the imaged hypersonic strain-wave dynamics and electron/hole plasma-wave dynamics in strongly photoexcited semiconductors.

  2. Picosecond phase-velocity dispersion of hypersonic phonons imaged with ultrafast electron microscopy

    Science.gov (United States)

    Cremons, Daniel R.; Du, Daniel X.; Flannigan, David J.

    2017-12-01

    Here, we describe the direct imaging—with four-dimensional ultrafast electron microscopy—of the emergence, evolution, dispersion, and decay of photoexcited, hypersonic coherent acoustic phonons in nanoscale germanium wedges. Coherent strain waves generated via ultrafast in situ photoexcitation were imaged propagating with initial phase velocities of up to 35 km/s across discrete micrometer-scale crystal regions. We observe that, while each wave front travels at a constant velocity, the entire wave train evolves with a time-varying phase-velocity dispersion, displaying a single-exponential decay to the longitudinal speed of sound (5 km/s) and with a mean lifetime of 280 ps. We also find that the wave trains propagate along a single in-plane direction oriented parallel to striations introduced during specimen preparation, independent of crystallographic direction. Elastic-plate modeling indicates the dynamics arise from excitation of a single, symmetric (dilatational) guided acoustic mode. Further, by precisely determining the experiment time-zero position with a plasma-lensing method, we find that wave-front emergence occurs approximately 100 ps after femtosecond photoexcitation, which matches well with Auger recombination times in germanium. We conclude by discussing the similarities between the imaged hypersonic strain-wave dynamics and electron/hole plasma-wave dynamics in strongly photoexcited semiconductors.

  3. Dispersion and density of states of phonons and electrons in an α-B12 crystal determined from first principles

    Science.gov (United States)

    Mavrin, B. N.; Reshetnyak, V. V.

    2017-07-01

    Using the DFT method, we study the phonon properties of an α-B12 rhombohedral crystal in the basis set of plane waves and its electronic structure in the localized basis set of Gaussians. It follows from the phonon dispersion that the crystal possesses a dynamical stability. The effective Born charges, the oscillator strengths, the transverse-longitudinal splitting, and the dielectric functions of dipole modes are calculated. We show that charge transfer from polar to equatorial atoms takes place in a B12 icosahedron, while B-B bonds have predominantly a covalent character. In the density of states of acoustic modes, we reveal a structure that can manifest itself in the spectra of disordered boron compounds. From the dispersion of electronic bands, the occurrence of an indirect energy gap follows. The overlap of partial densities implies the hybridization of s and p electronic states in boron atoms.

  4. Theoretical study of phonon dispersion, elastic, mechanical and thermodynamic properties of barium chalcogenides

    Science.gov (United States)

    Musari, A. A.; Orukombo, S. A.

    2018-03-01

    Barium chalcogenides are known for their high-technological importance and great scientific interest. Detailed studies of their elastic, mechanical, dynamical and thermodynamic properties were carried out using density functional theory and plane-wave pseudo potential method within the generalized gradient approximation. The optimized lattice constants were in good agreement when compared with experimental data. The independent elastic constants, calculated from a linear fit of the computed stress-strain function, were used to determine the Young’s modulus (E), bulk modulus (B), shear modulus (G), Poisson’s ratio (σ) and Zener’s anisotropy factor (A). Also, the Debye temperature and sound velocities for barium chalcogenides were estimated from the three independent elastic constants. The calculations of phonon dispersion showed that there are no negative frequencies throughout the Brillouin zone. Hence barium chalcogenides have dynamically stable NaCl-type crystal structure. Finally, their thermodynamic properties were calculated in the temperature range of 0-1000 K and their constant-volume specific heat capacities at room-temperature were reported.

  5. Analyzing Dirac Cone and Phonon Dispersion in Highly Oriented Nanocrystalline Graphene.

    Science.gov (United States)

    Nai, Chang Tai; Xu, Hai; Tan, Sherman J R; Loh, Kian Ping

    2016-01-26

    Chemical vapor deposition (CVD) is one of the most promising growth techniques to scale up the production of monolayer graphene. At present, there are intense efforts to control the orientation of graphene grains during CVD, motivated by the fact that there is a higher probability for oriented grains to achieve seamless merging, forming a large single crystal. However, it is still challenging to produce single-crystal graphene with no grain boundaries over macroscopic length scales, especially when the nucleation density of graphene nuclei is high. Nonetheless, nanocrystalline graphene with highly oriented grains may exhibit single-crystal-like properties. Herein, we investigate the spectroscopic signatures of graphene film containing highly oriented, nanosized grains (20-150 nm) using angle-resolved photoemission spectroscopy (ARPES) and high-resolution electron energy loss spectroscopy (HREELS). The robustness of the Dirac cone, as well as dispersion of its phonons, as a function of graphene's grain size and before and after film coalescence, was investigated. In view of the sensitivity of atomically thin graphene to atmospheric adsorbates and intercalants, ARPES and HREELS were also used to monitor the changes in spectroscopic signatures of the graphene film following exposure to the ambient atmosphere.

  6. Orbital dependent Rashba splitting and electron-phonon coupling of 2D Bi phase on Cu(100) surface

    Energy Technology Data Exchange (ETDEWEB)

    Gargiani, Pierluigi; Lisi, Simone; Betti, Maria Grazia [Dipartimento di Fisica, Università di Roma “La Sapienza,” Piazzale A. Moro 5, I-00185 Roma (Italy); Ibrahimi, Amina Taleb; Bertran, François; Le Fèvre, Patrick [Synchrotron SOLEIL, Saint-Aubin-BP 48, F-91192 Gif sur Yvette (France); Chiodo, Letizia [Center for Life Nano Science - Sapienza, Istituto Italiano di Tecnologia and European Theoretical Spectroscopy Facility (ETSF), Viale Regina Elena 291, I-00161, Roma (Italy)

    2013-11-14

    A monolayer of bismuth deposited on the Cu(100) surface forms a highly ordered c(2×2) reconstructed phase. The low energy single particle excitations of the c(2×2) Bi/Cu(100) present Bi-induced states with a parabolic dispersion in the energy region close to the Fermi level, as observed by angle-resolved photoemission spectroscopy. The electronic state dispersion, the charge density localization, and the spin-orbit coupling have been investigated combining photoemission spectroscopy and density functional theory, unraveling a two-dimensional Bi phase with charge density well localized at the interface. The Bi-induced states present a Rashba splitting, when the charge density is strongly localized in the Bi plane. Furthermore, the temperature dependence of the spectral density close to the Fermi level has been evaluated. Dispersive electronic states offer a large number of decay channels for transitions coupled to phonons and the strength of the electron-phonon coupling for the Bi/Cu(100) system is shown to be stronger than for Bi surfaces and to depend on the electronic state symmetry and localization.

  7. Dispersion relations of elastic waves in one-dimensional piezoelectric/piezomagnetic phononic crystal with initial stresses.

    Science.gov (United States)

    Guo, Xiao; Wei, Peijun

    2016-03-01

    The dispersion relations of elastic waves in a one-dimensional phononic crystal formed by periodically repeating of a pre-stressed piezoelectric slab and a pre-stressed piezomagnetic slab are studied in this paper. The influences of initial stress on the dispersive relation are considered based on the incremental stress theory. First, the incremental stress theory of elastic solid is extended to the magneto-electro-elasto solid. The governing equations, constitutive equations, and boundary conditions of the incremental stresses in a magneto-electro-elasto solid are derived with consideration of the existence of initial stresses. Then, the transfer matrices of a pre-stressed piezoelectric slab and a pre-stressed piezomagnetic slab are formulated, respectively. The total transfer matrix of a single cell in the phononic crystal is obtained by the multiplication of two transfer matrixes related with two adjacent slabs. Furthermore, the Bloch theorem is used to obtain the dispersive equations of in-plane and anti-plane Bloch waves. The dispersive equations are solved numerically and the numerical results are shown graphically. The oblique propagation and the normal propagation situations are both considered. In the case of normal propagation of elastic waves, the analytical expressions of the dispersion equation are derived and compared with other literatures. The influences of initial stresses, including the normal initial stresses and shear initial stresses, on the dispersive relations are both discussed based on the numerical results. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. Continuous multispectral imaging of surface phonon polaritons on silicon carbide with an external cavity quantum cascade laser

    Science.gov (United States)

    Dougakiuchi, Tatsuo; Kawada, Yoichi; Takebe, Gen

    2018-03-01

    We demonstrate the continuous multispectral imaging of surface phonon polaritons (SPhPs) on silicon carbide excited by an external cavity quantum cascade laser using scattering-type scanning near-field optical microscopy. The launched SPhPs were well characterized via the confirmation that the theoretical dispersion relation and measured in-plane wave vectors are in excellent agreement in the entire measurement range. The proposed scheme, which can excite and observe SPhPs with an arbitrary wavelength that effectively covers the spectral gap of CO2 lasers, is expected to be applicable for studies of near-field optics and for various applications based on SPhPs.

  9. Databases of surface wave dispersion

    Directory of Open Access Journals (Sweden)

    L. Boschi

    2005-06-01

    Full Text Available Observations of seismic surface waves provide the most important constraint on the elastic properties of the Earth’s lithosphere and upper mantle. Two databases of fundamental mode surface wave dispersion were recently compiled and published by groups at Harvard (Ekström et al., 1997 and Utrecht/Oxford (Trampert and Woodhouse, 1995, 2001, and later employed in 3-d global tomographic studies. Although based on similar sets of seismic records, the two databases show some significant discrepancies. We derive phase velocity maps from both, and compare them to quantify the discrepancies and assess the relative quality of the data; in this endeavour, we take careful account of the effects of regularization and parametrization. At short periods, where Love waves are mostly sensitive to crustal structure and thickness, we refer our comparison to a map of the Earth’s crust derived from independent data. On the assumption that second-order effects like seismic anisotropy and scattering can be neglected, we find the measurements of Ekström et al. (1997 of better quality; those of Trampert and Woodhouse (2001 result in phase velocity maps of much higher spatial frequency and, accordingly, more difficult to explain and justify geophysically. The discrepancy is partly explained by the more conservative a priori selection of data implemented by Ekström et al. (1997. Nevertheless, it becomes more significant with decreasing period, which indicates that it could also be traced to the different measurement techniques employed by the authors.

  10. Strong energy-momentum dispersion of phonon-dressed carriers in the lightly doped band insulator SrTiO3

    International Nuclear Information System (INIS)

    Meevasana, W; Chen, C-C; He, R H; Mo, S-K; Shen, Z-X; Zhou, X J; Moritz, B; Lu, D H; Moore, R G; Devereaux, T P; Fujimori, S-I; Baumberger, F; Van der Marel, D; Nagaosa, N; Zaanen, J

    2010-01-01

    Much progress has been made recently in the study of the effects of electron-phonon (el-ph) coupling in doped insulators using angle-resolved photoemission (ARPES), yielding evidence for the dominant role of el-ph interactions in underdoped cuprates. As these studies have been limited to doped Mott insulators, the important question arises as to how this compares with doped band insulators where similar el-ph couplings should be at work. The archetypical case is that of perovskite SrTiO 3 (STO), well known for its giant dielectric constant of 10 000 at low temperatures, exceeding that of La 2 CuO 4 by a factor of 500. Based on this fact, it has been suggested that doped STO should be the archetypical bipolaron superconductor. Here we report an ARPES study from high-quality surfaces of lightly doped STO. In comparison to lightly doped Mott insulators, we find the signatures of only moderate el-ph coupling; a dispersion anomaly associated with the low-frequency optical phonon with a λ ' ∼0.3 and an overall bandwidth renormalization suggesting an overall λ ' ∼0.7 coming from the higher frequency phonons. Furthermore, we find no clear signatures of the large pseudogap or small-polaron phenomena. These findings demonstrate that a large dielectric constant itself is not a good indicator of el-ph coupling and highlight the unusually strong effects of the el-ph coupling in doped Mott insulators.

  11. Anisotropic surface acoustic waves in tungsten/lithium niobate phononic crystals

    Science.gov (United States)

    Sun, Jia-Hong; Yu, Yuan-Hai

    2018-02-01

    Phononic crystals (PnC) were known for acoustic band gaps for different acoustic waves. PnCs were already applied in surface acoustic wave (SAW) devices as reflective gratings based on the band gaps. In this paper, another important property of PnCs, the anisotropic propagation, was studied. PnCs made of circular tungsten films on a lithium niobate substrate were analyzed by finite element method. Dispersion curves and equal frequency contours of surface acoustic waves in PnCs of various dimensions were calculated to study the anisotropy. The non-circular equal frequency contours and negative refraction of group velocity were observed. Then PnC was applied as an acoustic lens based on the anisotropic propagation. Trajectory of SAW passing PnC lens was calculated and transmission of SAW was optimized by selecting proper layers of lens and applying tapered PnC. The result showed that PnC lens can suppress diffraction of surface waves effectively and improve the performance of SAW devices.

  12. Molecular-dynamics theory of the temperature-dependent surface phonons of W(001)

    International Nuclear Information System (INIS)

    Wang, C.Z.; Fasolino, A.; Tosatti, E.

    1987-04-01

    We study the temperature-dependent zone-boundary surface phonons across the c(2x2)→1x1 reconstruction phase transition of the clean W(001) surface. Velocity-velocity correlations and hence the phonon spectral densities are calculated by molecular dynamics for the surface atoms of a finite thickness (001) slab, with interatomic potentials established in a previous study of the surface statics. Our calculated k = (1/2,1/2)(2π/a) surface phonon are dominated by three main low-frequency modes. Of these, the longitudinal and the shear horizontal are reconstruction-related and display critical broadening and softening at the phase transition, while the third, the shear vertical, is basically unaffected. The reconstruction phase mode, shear horizontal, appears to be responsible for the phase fluctuations which destroy long-range order at the transition. (author). 30 refs, 12 figs

  13. Semiclassical multi-phonon theory for atom-surface scattering: Application to the Cu(111) system.

    Science.gov (United States)

    Daon, Shauli; Pollak, Eli

    2015-05-07

    The semiclassical perturbation theory of Hubbard and Miller [J. Chem. Phys. 80, 5827 (1984)] is further developed to include the full multi-phonon transitions in atom-surface scattering. A practically applicable expression is developed for the angular scattering distribution by utilising a discretized bath of oscillators, instead of the continuum limit. At sufficiently low surface temperature good agreement is found between the present multi-phonon theory and the previous one-, and two-phonon theory derived in the continuum limit in our previous study [Daon, Pollak, and Miret-Artés, J. Chem. Phys. 137, 201103 (2012)]. The theory is applied to the measured angular distributions of Ne, Ar, and Kr scattered from a Cu(111) surface. We find that the present multi-phonon theory substantially improves the agreement between experiment and theory, especially at the higher surface temperatures. This provides evidence for the importance of multi-phonon transitions in determining the angular distribution as the surface temperature is increased.

  14. A force field and phonon dispersion curves. I: Application to Cs2 MX6 type systems

    International Nuclear Information System (INIS)

    Cortes, E.; Acevedo, R.

    1998-01-01

    A physical symmetry adapted formalism of general applicability is put forward to gain understanding of both the short and the long range interactions included in the dynamic matrix in solid state Physics. This formalism is carried out with reference to the Cs 2 U Br 6 which belongs to the Fm 3m(O 5 h ) space group. This system has been chosen since many theoretical and experimental studies have been already reported. This research article represents a new effort to gain understanding with reference to the N- body problem in lattice dynamics. based upon new and non published experimental data we have developed an strategy to work out convergence tests so that to carry out through studies of the lattice sums on both, the direct and the reciprocal spaces. This article reports updated information of the phonon dispersion curves along different polarizations directions, with explicit applications to the Cs 2 U Br 6 crystal. The lattice dynamic of this crystal has been worked out, utilising a model which includes a total of 13 force constants, which are derived when a mixed force field: general valence force field (GVFF)-Urey-Bradley force field (UBFF) is employed and a total of three effective charges on the Cesium, Uranium and Bromide ions. It is shown that our model is suitable to describe both the short and the long range interactions. Furthermore and for reasons of completeness, we have included interactions among atoms belonging to different unit cells. This is indeed a rather important breakthrough of the model reported in the literature previously. The advantages and disadvantages of the current formalism are discussed in the text, though we many anticipate a fair degree of success in the description in the description of several important physical observable and in particular in the description of the LO-TO energy gap. (author)

  15. Interface nano-confined acoustic waves in polymeric surface phononic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Travagliati, Marco, E-mail: marco.travagliati@iit.it [Center for Nanotechnology Innovation@NEST, Istituto Italiano di Tecnologia, Piazza San Silvestro 12, 56127 Pisa (Italy); NEST, Scuola Normale Superiore and Istituto Nanoscienze-CNR, Piazza San Silvestro 12, 56127 Pisa (Italy); Nardi, Damiano [JILA and Department of Physics, University of Colorado, 440 UCB, Boulder, Colorado 80309 (United States); Giannetti, Claudio; Ferrini, Gabriele; Banfi, Francesco, E-mail: francesco.banfi@unicatt.it [i-LAMP and Dipartimento di Matematica e Fisica, Università Cattolica del Sacro Cuore, Via Musei 41, 25121 Brescia (Italy); Gusev, Vitalyi [LAUM, UMR-CNRS 6613, Université du Maine, av. O. Messiaen, 72085 Le Mans (France); Pingue, Pasqualantonio [NEST, Scuola Normale Superiore and Istituto Nanoscienze-CNR, Piazza San Silvestro 12, 56127 Pisa (Italy); Piazza, Vincenzo [Center for Nanotechnology Innovation@NEST, Istituto Italiano di Tecnologia, Piazza San Silvestro 12, 56127 Pisa (Italy)

    2015-01-12

    The impulsive acoustic dynamics of soft polymeric surface phononic crystals is investigated here in the hypersonic frequency range by near-IR time-resolved optical diffraction. The acoustic response is analysed by means of wavelet spectral methods and finite element modeling. An unprecedented class of acoustic modes propagating within the polymer surface phononic crystal and confined within 100 nm of the nano-patterned interface is revealed. The present finding opens the path to an alternative paradigm for characterizing the mechanical properties of soft polymers at interfaces and for sensing schemes exploiting polymers as embedding materials.

  16. Correlation between phonon anomaly along [211] and the Fermi surface nesting features with associated electron-phonon interactions in Ni2FeGa: A first principles study

    International Nuclear Information System (INIS)

    Chabungbam, Satyananda; Sahariah, Munima B.

    2015-01-01

    First principles calculation reaffirms the presence of phonon anomaly along [211] direction in Ni 2 FeGa shape memory alloy supporting the experimental findings of J. Q. Li et al. Fermi surface scans have been performed in both austenite and martensite phase to see the possible Fermi nesting features in this alloy. The magnitude of observed Fermi surface nesting vectors in (211) plane exactly match the phonon anomaly wavevectors along [211] direction. Electron-phonon calculation in the austenite phase shows that there is significant electron-phonon coupling in this alloy which might arise out of the lattice coupling between lower acoustic modes and higher optical modes combined with the observed strong Fermi nesting features in the system. - Highlights: • Transverse acoustic (TA 2 ) modes show anomaly along [211] direction in Ni 2 FeGa. • The phonon anomaly wavevector has been correlated with the Fermi nesting vectors. • Electron-phonon coupling calculation shows significant coupling in this system. • Max. el-ph coupling occurs in transition frequencies from acoustic to optical modes

  17. Surface dependent behaviour of CdS LO-phonon mode

    International Nuclear Information System (INIS)

    Molina-Contreras, J R; Medina-Gutierrez, C; Frausto-Reyes, C; Trejo-Vazquez, R; Villalobos-Pina, F J; Romo-Luevano, G; Calixto, S

    2007-01-01

    In this paper, we develop a sensitive optical method to monitor the surface roughness in the investigation of surfaces. By applying this method to measure the RMS surface roughness of various surfaces, we found RMS values which are comparable to those obtained by atomic force microscopy measurements. In addition, we present a simple empirical model to calculate the RMS surface roughness which shows very good agreement with the surface roughness measurements taken by the method reported in this paper. Finally, the application of our method to the study of the LO-phonon mode of CdS suggests that its intensity is dominated by the surface roughness. This roughness dependent behaviour of the CdS LO-phonon mode is experimentally confirmed by using an excitation wavelength near its E 0 transition

  18. Surface dependent behaviour of CdS LO-phonon mode

    Energy Technology Data Exchange (ETDEWEB)

    Molina-Contreras, J R [Departamento de IngenierIa Electrica y Electronica, Instituto Tecnologico de Aguascalientes, Av. Lopez Mateos 1081 Oriente, Fracc. Bonna Gens, CP 20256. Aguascalientes, Ags. (Mexico); Medina-Gutierrez, C [Universidad de Guadalajara, Centro Universitario de los Lagos, Av. Enrique DIaz de Leon s/n, Fracc. Paseos de la Montana, CP 47460, Lagos de Moreno, Jal. (Mexico); Frausto-Reyes, C [Centro de Investigaciones en Optica AC, Unidad Aguascalientes, Prolong., Constitucion 607, Fracc. Reserva Loma Bonita, CP 20200, Apartado Postal 507, Ags. (Mexico); Trejo-Vazquez, R [Departamento de IngenierIa Electrica y Electronica, Instituto Tecnologico de Aguascalientes, Av. Lopez Mateos 1081 Oriente, Fracc. Bonna Gens, CP 20256. Aguascalientes, Ags. (Mexico); Villalobos-Pina, F J [Departamento de IngenierIa Electrica y Electronica, Instituto Tecnologico de Aguascalientes, Av. Lopez Mateos 1081 Oriente, Fracc. Bonna Gens, CP 20256. Aguascalientes, Ags. (Mexico); Romo-Luevano, G [Intel TecnologIa de Mexico, SA de CV, Systems Research Center-Mexico, Parque Industrial Tecnologico II, Periferico Sur 7980, edificio 4-E, 45600 Tlaquepaque, Jalisco (Mexico); Calixto, S [Centro de Investigaciones en Optica, AC, Loma del Bosque 115, Colonia Lomas del Campestre, CP 37150 Leon, Guanajuato (Mexico)

    2007-08-21

    In this paper, we develop a sensitive optical method to monitor the surface roughness in the investigation of surfaces. By applying this method to measure the RMS surface roughness of various surfaces, we found RMS values which are comparable to those obtained by atomic force microscopy measurements. In addition, we present a simple empirical model to calculate the RMS surface roughness which shows very good agreement with the surface roughness measurements taken by the method reported in this paper. Finally, the application of our method to the study of the LO-phonon mode of CdS suggests that its intensity is dominated by the surface roughness. This roughness dependent behaviour of the CdS LO-phonon mode is experimentally confirmed by using an excitation wavelength near its E{sub 0} transition.

  19. INTRODUCTION: Surface Dynamics, Phonons, Adsorbate Vibrations and Diffusion

    Science.gov (United States)

    Bruch, L. W.

    2004-07-01

    understanding of the underlying factors determining the optical quality of GaInNAs, such as composition, growth and annealing conditions. We are still far from establishing an understanding of the band structure and its dependence on composition. Fundamental electronic interactions such as electron-electron and electron-phonon scattering, dependence of effective mass on composition, strain and orientation, quantum confinement effects, effects of localized nitrogen states on high field transport and on galvanometric properties, and mechanisms for light emission in these materials, are yet to be fully understood. Nature and formation mechanisms of grown-in and processing-induced defects that are important for material quality and device performance are still unknown. Such knowledge is required in order to design strategies to efficiently control and eliminate harmful defects. For many potential applications (such as solar cells, HBTs) it is essential to get more information on the transport properties of dilute nitride materials. The mobility of minority carriers is known to be low in GaInNAs and related material. The experimental values are far from reaching the theoretical ones, due to defects and impurities introduced in the material during the growth. The role of the material inhomogeneities on the lateral carrier transport also needs further investigation. From the device's point of view most attention to date has been focused on the GaInNAs/GaAs system, mainly because of its potential for optoelectronic devices covering the 1.3-1.55 µm data and telecommunications wavelength bands. As is now widely appreciated, these GaAs-compatible structures allow monolithic integration of AlGaAs-based distributed Bragg reflector mirrors (DBRs) for vertical cavity surface-emitting lasers with low temperature sensitivity and compatibility with AlOx-based confinement techniques. In terms of conventional edge-emitting lasers (EELs), the next step is to extend the wavelength range for cw room

  20. Vibrational Surface Electron-Energy-Loss Spectroscopy Probes Confined Surface-Phonon Modes

    Directory of Open Access Journals (Sweden)

    Hugo Lourenço-Martins

    2017-12-01

    Full Text Available Recently, two reports [Krivanek et al. Nature (London 514, 209 (2014NATUAS0028-083610.1038/nature13870, Lagos et al. Nature (London 543, 529 (2017NATUAS0028-083610.1038/nature21699] have demonstrated the amazing possibility to probe vibrational excitations from nanoparticles with a spatial resolution much smaller than the corresponding free-space phonon wavelength using electron-energy-loss spectroscopy (EELS. While Lagos et al. evidenced a strong spatial and spectral modulation of the EELS signal over a nanoparticle, Krivanek et al. did not. Here, we show that discrepancies among different EELS experiments as well as their relation to optical near- and far-field optical experiments [Dai et al. Science 343, 1125 (2014SCIEAS0036-807510.1126/science.1246833] can be understood by introducing the concept of confined bright and dark surface phonon modes, whose density of states is probed by EELS. Such a concise formalism is the vibrational counterpart of the broadly used formalism for localized surface plasmons [Ouyang and Isaacson Philos. Mag. B 60, 481 (1989PMABDJ1364-281210.1080/13642818908205921, García de Abajo and Aizpurua Phys. Rev. B 56, 15873 (1997PRBMDO0163-182910.1103/PhysRevB.56.15873, García de Abajo and Kociak Phys. Rev. Lett. 100, 106804 (2008PRLTAO0031-900710.1103/PhysRevLett.100.106804, Boudarham and Kociak Phys. Rev. B 85, 245447 (2012PRBMDO1098-012110.1103/PhysRevB.85.245447]; it makes it straightforward to predict or interpret phenomena already known for localized surface plasmons such as environment-related energy shifts or the possibility of 3D mapping of the related surface charge densities [Collins et al. ACS Photonics 2, 1628 (2015APCHD52330-402210.1021/acsphotonics.5b00421].

  1. Vibrational Surface Electron-Energy-Loss Spectroscopy Probes Confined Surface-Phonon Modes

    Science.gov (United States)

    Lourenço-Martins, Hugo; Kociak, Mathieu

    2017-10-01

    Recently, two reports [Krivanek et al. Nature (London) 514, 209 (2014), 10.1038/nature13870, Lagos et al. Nature (London) 543, 529 (2017), 10.1038/nature21699] have demonstrated the amazing possibility to probe vibrational excitations from nanoparticles with a spatial resolution much smaller than the corresponding free-space phonon wavelength using electron-energy-loss spectroscopy (EELS). While Lagos et al. evidenced a strong spatial and spectral modulation of the EELS signal over a nanoparticle, Krivanek et al. did not. Here, we show that discrepancies among different EELS experiments as well as their relation to optical near- and far-field optical experiments [Dai et al. Science 343, 1125 (2014), 10.1126/science.1246833] can be understood by introducing the concept of confined bright and dark surface phonon modes, whose density of states is probed by EELS. Such a concise formalism is the vibrational counterpart of the broadly used formalism for localized surface plasmons [Ouyang and Isaacson Philos. Mag. B 60, 481 (1989), 10.1080/13642818908205921, García de Abajo and Aizpurua Phys. Rev. B 56, 15873 (1997), 10.1103/PhysRevB.56.15873, García de Abajo and Kociak Phys. Rev. Lett. 100, 106804 (2008), 10.1103/PhysRevLett.100.106804, Boudarham and Kociak Phys. Rev. B 85, 245447 (2012), 10.1103/PhysRevB.85.245447]; it makes it straightforward to predict or interpret phenomena already known for localized surface plasmons such as environment-related energy shifts or the possibility of 3D mapping of the related surface charge densities [Collins et al. ACS Photonics 2, 1628 (2015), 10.1021/acsphotonics.5b00421].

  2. Stress Induced Phononic Properties and Surface Waves in 2D Model of Auxetic Crystal

    International Nuclear Information System (INIS)

    Trzupek, D.; Twarog, D.; Zielinski, P.

    2009-01-01

    Elastic stiffness parameters are determined in a 2D model system of rigid rods interacting by harmonic force constants. Any positive ('' normal '' crystal) or negative (auxetic crystal) Poisson ratio can be obtained in this model as a function of the external stress. Conditions for opening an absolute stop band (phononic crystal) and for various kinds of surface waves are obtained. (authors)

  3. Phonon dispersions and elastic constants of disordered Pd-Ni alloys

    Energy Technology Data Exchange (ETDEWEB)

    Kart, S. Oezdemir [Department of Physics, Middle East Technical University, 06531 Ankara (Turkey)]. E-mail: ozsev@newton.physics.metu.edu.tr; Tomak, M. [Department of Physics, Middle East Technical University, 06531 Ankara (Turkey); Cagin, T. [Department of Chemical Engineering, Texas A and M University, College Station, TX 77845-3122 (United States)

    2005-01-31

    Phonon frequencies of Pd-Ni alloys are calculated by molecular dynamics (MD) simulation. Lattice dynamical properties computed from Sutton-Chen (SC) and quantum Sutton-Chen (Q-SC) potentials as a function of temperature are compared with each other. We present all interatomic force constants up to the 8th nearest-neighbor shell obtained by using the calculated potential. Elastic constants evaluated by two methods are consistent with each other. The transferability of the potential is also tested. The results are in good agreement with experimental data and other calculations.

  4. Phonon dispersions and elastic constants of disordered Pd-Ni alloys

    International Nuclear Information System (INIS)

    Kart, S. Oezdemir; Tomak, M.; Cagin, T.

    2005-01-01

    Phonon frequencies of Pd-Ni alloys are calculated by molecular dynamics (MD) simulation. Lattice dynamical properties computed from Sutton-Chen (SC) and quantum Sutton-Chen (Q-SC) potentials as a function of temperature are compared with each other. We present all interatomic force constants up to the 8th nearest-neighbor shell obtained by using the calculated potential. Elastic constants evaluated by two methods are consistent with each other. The transferability of the potential is also tested. The results are in good agreement with experimental data and other calculations

  5. Experimental determination of the phonon state density in the bulk and finely dispersed polycrystalline Fe1-xO

    International Nuclear Information System (INIS)

    Bulat, I.A.; Pashkovskij, Yu.L.; Semencheva, O.P.

    1990-01-01

    Density of phonon states, that is, g(ε) of polycrystalline Fe 1-x O at x=0.08 and intermediate crystallites equl to 100 and smaller, than 1μm is measured using inelastic scattering of cold neutrons at E 0 =4.43 MeV and T=293 K. Technique of separation of contributions of neutron lattice and magnetic scattering at transitions of Fe 2+ ion orbital moment which is incompletely frozen was used for measurements. Additional peculiarities of E(ε) at low energy values and density of finely dispersed powder states which is essentially suppressed, within optical frequency range are explained by presence of vacancies and defect clusters

  6. Surface acoustic waves in finite slabs of three-dimensional phononic crystals

    OpenAIRE

    Sainidou, R.; Djafari-Rouhani, B.; Vasseur, J. O.

    2008-01-01

    We study theoretically, by means of layer-multiple-scattering techniques, the propagation of elastic waves through finite slabs of phononic crystals consisting of metallic spheres in a polyester matrix, embedded in air. In particular, we focus on the study of modes localized on the surfaces of the structure. Their origin and behavior, as well as the physical parameters that influence and determine their appearance, are investigated in detail. Our results reveal the existence of absolute phono...

  7. Observation of surface-guided waves in holey hypersonic phononic crystal

    Science.gov (United States)

    Benchabane, Sarah; Gaiffe, Olivier; Ulliac, Gwenn; Salut, Roland; Achaoui, Younes; Laude, Vincent

    2011-04-01

    We observe experimentally the propagation of surface-guided waves in a hypersonic phononic crystal, both in the radiative and nonradiative regions of the spectrum. Combining electrical measurements in reflection and transmission as well as optical maps of the surface displacement, a band gap extending from 0.6 to 0.95 GHz is identified in a square lattice array of 1 μm radius air holes milled in lithium niobate. The optical measurements reveal the transmission of surface-guided waves above the band gap, well inside the sound cone.

  8. Surface optical phonons in GaAs nanowires grown by Ga-assisted chemical beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    García Núñez, C., E-mail: carlos.garcia@uam.es; Braña, A. F.; Pau, J. L.; Ghita, D.; García, B. J. [Grupo de Electrónica y Semiconductores, Departamento de Física Aplicada, Universidad Autónoma de Madrid, 28049 Madrid (Spain); Shen, G.; Wilbert, D. S.; Kim, S. M.; Kung, P. [Department of Electrical and Computer Engineering, The University of Alabama, Tuscaloosa, Alabama 35487 (United States)

    2014-01-21

    Surface optical (SO) phonons were studied by Raman spectroscopy in GaAs nanowires (NWs) grown by Ga-assisted chemical beam epitaxy on oxidized Si(111) substrates. NW diameters and lengths ranging between 40 and 65 nm and between 0.3 and 1.3 μm, respectively, were observed under different growth conditions. The analysis of the Raman peak shape associated to either longitudinal or surface optical modes gave important information about the crystal quality of grown NWs. Phonon confinement model was used to calculate the density of defects as a function of the NW diameter resulting in values between 0.02 and 0.03 defects/nm, indicating the high uniformity obtained on NWs cross section size during growth. SO mode shows frequency downshifting as NW diameter decreases, this shift being sensitive to NW sidewall oxidation. The wavevector necessary to activate SO phonon was used to estimate the NW facet roughness responsible for SO shift.

  9. Reinvestigation of the dispersion relation of A{sub 1} phonon-polariton in LiNbO{sub 3} by the improved heterodyne ISRS study

    Energy Technology Data Exchange (ETDEWEB)

    Watanuki, Takeo; Yoshioka, Shinya; Kasahara, Masaru; Yagi, Toshirou [Research Institute for Electronic Science, Hokkaido University, Sapporo, Hokkaido (Japan); Crimmins, T.F.; Nelson, K.A. [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA (United States)

    2001-09-01

    The dispersion relation of the A{sub 1} phonon-polariton of ferroelectric LiNbO{sub 3} has been studied by the impulsive stimulated Raman scattering (ISRS) experiment improved with optical phase masks and heterodyne detection. A simple dispersion relation is revealed in contrast to the previous heterodyne ISRS study where several avoided crossing points were reported. The static dielectric constant obtained from the gradient of the dispersion curve with respect to the wave vector shows a good agreement with the previous dielectric measurement. (author)

  10. Reinvestigation of the Dispersion Relation of A1 Phonon-Polariton in LiNbO3 by the Improved Heterodyne ISRS Study

    Science.gov (United States)

    Watanuki, Takeo; Yoshioka, Shinya; Kasahara, Masaru; Crimmins, Timothy; Nelson, Keith; Yagi, Toshirou

    2001-09-01

    The dispersion relation of the A1 phonon-polariton of ferroelectric LiNbO3 has been studied by the impulsive stimulated Raman scattering (ISRS) experiment improved with optical phase masks and heterodyne detection. A simple dispersion relation is revealed in contrast to the previous heterodyne ISRS study where several avoided crossing points were reported. The static dielectric constant obtained from the gradient of the dispersion curve with respect to the wave vector shows a good agreement with the previous dielectric measurement.

  11. Evanescent coupling between surface and linear-defect guided modes in phononic crystals

    Science.gov (United States)

    Cicek, Ahmet; Salman, Aysevil; Adem Kaya, Olgun; Ulug, Bulent

    2016-01-01

    Evanescent coupling between surface and linear-defect waveguide modes in a two-dimensional phononic crystal of steel cylinders in air is numerically demonstrated. When the ratio of scatterer radii to the lattice constant is set to 0.47 in the square phononic crystal, the two types of modes start interacting if there is one-row separation between the surface and waveguide. Supercell band structure computations through the Finite Element Method suggest that the waveguide band is displaced significantly, whereas the surface band remains almost intact when the waveguide and surface are in close proximity. The two resultant hybrid bands are such that the coupling length, which varies between 8 and 22 periods, initially changes linearly with frequency, while a much sharper variation is observed towards the top of the lower hybrid band. Such small values facilitate the design of compact devices based on heterogeneous coupling. Finite-element simulations demonstrate bilateral coupling behaviour, where waves incident from either the surface or waveguide can efficiently couple to the other side. The coupling lengths calculated from simulation results are in agreement with the values predicted from the supercell band structure. The possible utilisation of the coupling scheme in sensing applications, especially in acoustic Doppler velocimetry, is discussed.

  12. Direct measurements of surface scattering in Si nanosheets using a microscale phonon spectrometer: implications for Casimir-limit predicted by Ziman theory.

    Science.gov (United States)

    Hertzberg, Jared B; Aksit, Mahmut; Otelaja, Obafemi O; Stewart, Derek A; Robinson, Richard D

    2014-02-12

    Thermal transport in nanostructures is strongly affected by phonon-surface interactions, which are expected to depend on the phonon's wavelength and the surface roughness. Here we fabricate silicon nanosheets, measure their surface roughness (∼ 1 nm) using atomic force microscopy (AFM), and assess the phonon scattering rate in the sheets with a novel technique: a microscale phonon spectrometer. The spectrometer employs superconducting tunnel junctions (STJs) to produce and detect controllable nonthermal distributions of phonons from ∼ 90 to ∼ 870 GHz. This technique offers spectral resolution nearly 10 times better than a thermal conductance measurement. We compare measured phonon transmission rates to rates predicted by a Monte Carlo model of phonon trajectories, assuming that these trajectories are dominated by phonon-surface interactions and using the Ziman theory to predict phonon-surface scattering rates based on surface topology. Whereas theory predicts a diffuse surface scattering probability of less than 40%, our measurements are consistent with a 100% probability. Our nanosheets therefore exhibit the so-called "Casimir limit" at a much lower frequency than expected if the phonon scattering rates follow the Ziman theory for a 1 nm surface roughness. Such a result holds implications for thermal management in nanoscale electronics and the design of nanostructured thermoelectrics.

  13. An efficient zero-order description of the fine structure in the infrared reflection band of cubic ionic crystals and the phonon-polariton dispersion using Lorentz gauge

    Science.gov (United States)

    Meskers, Stefan C. J.

    2018-03-01

    The reflection of infrared light by ionic crystals with cubic symmetry such as lithium fluoride, LiF, is analyzed in terms of phonon-polaritons. In contrast to the conventional view on phonon-polaritons that uses the Coulomb gauge and assumes a purely local dielectric response of the material, we here develop an alternative description making use of the Lorentz gauge. This involves retarded interactions between charges, implying a non-local response of the material to electromagnetic radiation. The resulting new phonon-polariton dispersion relation features polaritons with negative group velocity in the frequency range in between the transverse (ωT) and longitudinal frequency (ωL). By contrast, the conventional description predicts, in zero order, the absence of any propagating polaritons in the frequency interval between ωT and ωL. The new dispersion relation provides an efficient, zero-order description of the fine structure within the reststrahlen band of LiF. The local minimum near the middle of the reflectance band is due to excitation of a phonon-polariton whose energy and momentum matches that of the incoming photon. The Lorentz gauge description can also describe off-normal reflection and accounts for the experimentally observed widening of the reflection band with increasing angle of incidence.

  14. Precise parallel optical spectrum analysis using the advanced two-phonon light scattering combined with the cross-disperser technique.

    Science.gov (United States)

    Shcherbakov, A S; Arellanes, A O; Chavushyan, V

    2016-12-01

    We develop an advanced approach to the optical spectrometer with acousto-optical dynamic grating for the Guillermo Haro astrophysical observatory (Mexico). The progress consists of two principle novelties. First is the use of the acousto-optical nonlinearity of two-phonon light scattering in crystals with linear acoustic losses. This advanced regime of light scattering exhibits a recently revealed additional degree of freedom, which allows tuning of the frequency of elastic waves and admits the nonlinear apodization improving the dynamic range. The second novelty is the combination of the cross-disperser with acousto-optical processing. A similar pioneering step provides an opportunity to operate over all the visible range in a parallel regime with maximal achievable resolution. The observation window of the optical spectrometer in that observatory is ∼9  cm, so that the theoretical estimations of maximal performances for a low-loss LiNbO3 crystal for this optical aperture at λ=405  nm give spectral resolution of 0.0523 Å, resolving power of 77,400, and 57,500 spots. The illustrative proof-of-principle experiments with a 6 cm LiNbO3 crystal have been performed.

  15. Phonon-mediated decay of an atom in a surface-induced potential

    International Nuclear Information System (INIS)

    Kien, Fam Le; Hakuta, K.; Dutta Gupta, S.

    2007-01-01

    We study phonon-mediated transitions between translational levels of an atom in a surface-induced potential. We present a general master equation governing the dynamics of the translational states of the atom. In the framework of the Debye model, we derive compact expressions for the rates for both upward and downward transitions. Numerical calculations for the transition rates are performed for a deep silica-induced potential allowing for a large number of bound levels as well as free states of a cesium atom. The total absorption rate is shown to be determined mainly by the bound-to-bound transitions for deep bound levels and by bound-to-free transitions for shallow bound levels. Moreover, the phonon emission and absorption processes can be orders of magnitude larger for deep bound levels as compared to the shallow bound ones. We also study various types of transitions from free states. We show that, for thermal atomic cesium with a temperature in the range from 100 μK to 400 μK in the vicinity of a silica surface with a temperature of 300 K, the adsorption (free-to-bound decay) rate is about two times larger than the heating (free-to-free upward decay) rate, while the cooling (free-to-free downward decay) rate is negligible

  16. Phonon density of states in nanocrystalline Fe

    Indian Academy of Sciences (India)

    Kara and Rahman [10] did the cluster calculations using the interaction potential based on the embedded ... It is found that in the interior of the clusters large capillary pressure is built up and the surface tension derived .... results due to flatness of phonon dispersion relations in the transverse branch in the [111] direction at ζ ...

  17. Size and environment dependence of surface phonon modes of gallium arsenide nanowires as measured by Raman spectroscopy.

    Science.gov (United States)

    Spirkoska, D; Abstreiter, G; Fontcuberta I Morral, A

    2008-10-29

    Gallium arsenide nanowires were synthesized by gallium-assisted molecular beam epitaxy. By varying the growth time, nanowires with diameters ranging from 30 to 160 nm were obtained. Raman spectra of the nanowire ensembles were measured. The small linewidth of the optical phonon modes agree with an excellent crystalline quality. A surface phonon mode was also revealed, as a shoulder at lower frequencies of the longitudinal optical mode. In agreement with the theory, the surface mode shifts to lower wavenumbers when the diameter of the nanowires is decreased or the environment dielectric constant increased.

  18. Surface effect on band structure of flexural wave propagating in magneto-elastic phononic crystal nanobeam

    International Nuclear Information System (INIS)

    Zhang, Shunzu; Gao, Yuanwen

    2017-01-01

    A theoretical model is established to study the size-dependent performance of flexural wave propagation in magneto-elastic phononic crystal (PC) nanobeam with surface effect based on Euler–Bernoulli beam theory and Gurtin–Murdoch theory. Considering the magneto-mechanical coupling constitutive relation of magnetostrictive material, the influence of surface effect on band structure is calculated by the plane wave expansion method for PC nanobeam subjected to pre-stress and magnetic field loadings. Through the example of an epoxy/Terfenol-D PC nanobeam, it can be observed that the characteristics of flexural wave band structures are size-dependent, and remarkably affected by surface effect when the dimension of the PC beam reduces to the nanoscale. The edges and width of the band gap with surface effect are higher than those without surface effect, especially for high frequency region. And surface effect gradually reduces with the increasing of bulk layer-to-surface layer thickness ratio until the band gap descends to a constant for the conventional one in the absence of surface effect. The effects of surface elasticity and piezomagneticity on band gap are more prominent than the residual surface stress. In addition, a distinctly nonlinear variation of band gap appears under the combined effects of pre-stress and magnetic field. Moreover, with the varying of filling fraction, multi-peaks of the width of the band gap are obtained and discussed. These results could be helpful for the intelligent regulation of magneto-elastic PC nanobeam and the design of nanobeam-based devices. (paper)

  19. Surface effect on band structure of flexural wave propagating in magneto-elastic phononic crystal nanobeam

    Science.gov (United States)

    Zhang, Shunzu; Gao, Yuanwen

    2017-11-01

    A theoretical model is established to study the size-dependent performance of flexural wave propagation in magneto-elastic phononic crystal (PC) nanobeam with surface effect based on Euler-Bernoulli beam theory and Gurtin-Murdoch theory. Considering the magneto-mechanical coupling constitutive relation of magnetostrictive material, the influence of surface effect on band structure is calculated by the plane wave expansion method for PC nanobeam subjected to pre-stress and magnetic field loadings. Through the example of an epoxy/Terfenol-D PC nanobeam, it can be observed that the characteristics of flexural wave band structures are size-dependent, and remarkably affected by surface effect when the dimension of the PC beam reduces to the nanoscale. The edges and width of the band gap with surface effect are higher than those without surface effect, especially for high frequency region. And surface effect gradually reduces with the increasing of bulk layer-to-surface layer thickness ratio until the band gap descends to a constant for the conventional one in the absence of surface effect. The effects of surface elasticity and piezomagneticity on band gap are more prominent than the residual surface stress. In addition, a distinctly nonlinear variation of band gap appears under the combined effects of pre-stress and magnetic field. Moreover, with the varying of filling fraction, multi-peaks of the width of the band gap are obtained and discussed. These results could be helpful for the intelligent regulation of magneto-elastic PC nanobeam and the design of nanobeam-based devices.

  20. Influence of elastic strain gradient on the upper limit of flexocoupling strength, spatially modulated phases, and soft phonon dispersion in ferroics

    Science.gov (United States)

    Morozovska, Anna N.; Eliseev, Eugene A.; Scherbakov, Christian M.; Vysochanskii, Yulian M.

    2016-11-01

    Using the Landau-Ginzburg-Devonshire theory, we established the role of the flexoelectric coupling between the gradients of elastic strain and polarization in the stability of spatially modulated phases in ferroics, such as incipient and proper ferroelectrics with commensurate and incommensurate long-range-ordered phases. We included the square of elastic strain gradient in the Landau-Ginzburg-Devonshire functional because this term provides the functional stability for all values of the strain gradient. Analytical expressions for polarization, strain, dielectric susceptibility, and stability threshold were derived for a one-dimensional case. The expressions show that the maximal possible values of the static flexoelectric effect coefficients (upper limits) established by Yudin, Ahluwalia, and Tagantsev without the square of elastic strain gradient and other higher order gradients terms lose their direct meaning. Considering the gradients, the temperature dependent condition for the flexocoupling magnitude exists instead of the upper limits. Also, we established that spatially modulated phases appear and become stable in commensurate ferroelectrics if the flexocoupling constant exceeds a critical value. The critical value depends on the electrostriction and elastic constants, temperature, and gradient coefficients in the Landau-Ginzburg-Devonshire functional. We calculated soft phonon dispersion in commensurate and incommensurate long-range-ordered phases of ferroelectrics with the square of elastic strain gradient, static, and dynamic flexocoupling. It appeared that the dispersion of the optical mode is slightly sensitive to the flexocoupling, and the dispersion of acoustic mode strongly depends on the coupling magnitude. Obtained results demonstrate that nontrivial differences in the dispersion of optical and acoustic modes occur with the change of flexocoupling constant. Therefore, experimental determination of soft phonon dispersion might be very informative to

  1. Surface defects characterization in a quantum wire by coherent phonons scattering

    Energy Technology Data Exchange (ETDEWEB)

    Rabia, M. S. [Laboratoire de Mécanique des Structures et Energétique, Faculté du Génie de la Construction, Université. Mammeri de Tizi-Ouzou, BP 17 RP Hasnaoua II, Tizi-Ouzou 15000, Algérie m2msr@yahoo.fr (Algeria)

    2015-03-30

    The influence of surface defects on the scattering properties of elastic waves in a quasi-planar crystallographic waveguide is studied in the harmonic approximation using the matching method formalism. The structural model is based on three infinite atomic chains forming a perfect lattice surmounted by an atomic surface defect. Following the Landauer approach, we solve directly the Newton dynamical equation with scattering boundary conditions and taking into account the next nearest neighbour’s interaction. A detailed study of the defect-induced fluctuations in the transmission spectra is presented for different adatom masses. As in the electronic case, the presence of localized defect-induced states leads to Fano-like resonances. In the language of mechanical vibrations, these are called continuum resonances. Numerical results reveal the intimate relation between transmission spectra and localized defect states and provide a basis for the understanding of conductance spectroscopy experiments in disordered mesoscopic systems. The results could be useful for the design of phononic devices.

  2. Surface defects characterization in a quantum wire by coherent phonons scattering

    International Nuclear Information System (INIS)

    Rabia, M. S.

    2015-01-01

    The influence of surface defects on the scattering properties of elastic waves in a quasi-planar crystallographic waveguide is studied in the harmonic approximation using the matching method formalism. The structural model is based on three infinite atomic chains forming a perfect lattice surmounted by an atomic surface defect. Following the Landauer approach, we solve directly the Newton dynamical equation with scattering boundary conditions and taking into account the next nearest neighbour’s interaction. A detailed study of the defect-induced fluctuations in the transmission spectra is presented for different adatom masses. As in the electronic case, the presence of localized defect-induced states leads to Fano-like resonances. In the language of mechanical vibrations, these are called continuum resonances. Numerical results reveal the intimate relation between transmission spectra and localized defect states and provide a basis for the understanding of conductance spectroscopy experiments in disordered mesoscopic systems. The results could be useful for the design of phononic devices

  3. Enhanced creation of dispersive monolayer phonons in Xe/Pt(111) by inelastic helium atom scattering at low energies

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Bruch, Ludwig Walter

    2007-01-01

    Conditions likely to lead to enhanced inelastic atomic scattering that creates shear horizontal (SH) and longitudinal acoustic (LA) monolayer phonons are identified, specifically examining the inelastic scattering of He-4 atoms by a monolayer solid of Xe/Pt(111) at incident energies of 2-25 meV. ...

  4. Analysis of the phonon surface specific heat using Green function techniques

    International Nuclear Information System (INIS)

    Silva Carrico, A. da; Albuquerque, E.L. de

    1981-01-01

    Green functions are derived for the displacement associated with acoustic vibrations in isotropic elastic media and used to evaluate the surface specific heat in the harmonic approximation. Only the low-temperature limit case is considered since, provided K sub(B) T/h is very small, the dispersion relation for the three acoustic branches can be replaced by its long-wavelenght form. The contributions of surface elastic waves of the Rayleigh and Love types are pointed out and their features discussed. The nature of the result and their relations to previous work in this field is also presented and discussed. (Author) [pt

  5. Analysis of the phonon surface specific heat using Green function techniques

    International Nuclear Information System (INIS)

    Carrico, A.S.; Albuquerque, E.L.

    1980-01-01

    Green functions are derived for the displacement associated with acoustic vibrations in isotropic elastic media and used to evaluate the surface specific heat in the harmonic approximation. We consider only the low-temperature limit case since, provided K B 1/h is very samll, we can replace the dispersion relation for the three acoustic branches by its long-wavelenghts form. The contributions of surface elastic waves ot the Rayleigh and Love types are pointed out and their features discussed. The nature of the result and their relations to previous work in this field is also presented and discussed. (author) [pt

  6. Angular dispersion of oblique phonon modes in BiFeO.sub.3./sub. from micro-Raman scattering

    Czech Academy of Sciences Publication Activity Database

    Hlinka, Jiří; Pokorný, Jan; Karimi, S.; Reaney, I. M.

    2011-01-01

    Roč. 83, č. 2 (2011), "020101-1"-"020101-4" ISSN 1098-0121 R&D Projects: GA ČR GAP204/10/0616 Institutional research plan: CEZ:AV0Z10100520 Keywords : BiFeO 3 * Raman scattering * phonon modes * multiferroic Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.691, year: 2011 http://link.aps.org/doi/10.1103/PhysRevB.83.020101

  7. Phonon engineering for nanostructures.

    Energy Technology Data Exchange (ETDEWEB)

    Aubry, Sylvie (Stanford University); Friedmann, Thomas Aquinas; Sullivan, John Patrick; Peebles, Diane Elaine; Hurley, David H. (Idaho National Laboratory); Shinde, Subhash L.; Piekos, Edward Stanley; Emerson, John Allen

    2010-01-01

    Understanding the physics of phonon transport at small length scales is increasingly important for basic research in nanoelectronics, optoelectronics, nanomechanics, and thermoelectrics. We conducted several studies to develop an understanding of phonon behavior in very small structures. This report describes the modeling, experimental, and fabrication activities used to explore phonon transport across and along material interfaces and through nanopatterned structures. Toward the understanding of phonon transport across interfaces, we computed the Kapitza conductance for {Sigma}29(001) and {Sigma}3(111) interfaces in silicon, fabricated the interfaces in single-crystal silicon substrates, and used picosecond laser pulses to image the thermal waves crossing the interfaces. Toward the understanding of phonon transport along interfaces, we designed and fabricated a unique differential test structure that can measure the proportion of specular to diffuse thermal phonon scattering from silicon surfaces. Phonon-scale simulation of the test ligaments, as well as continuum scale modeling of the complete experiment, confirmed its sensitivity to surface scattering. To further our understanding of phonon transport through nanostructures, we fabricated microscale-patterned structures in diamond thin films.

  8. Plasmon-enhanced electron-phonon coupling in Dirac surface states of the thin-film topological insulator Bi{sub 2}Se{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Glinka, Yuri D., E-mail: ydglinka@mail.wvu.edu [Department of Physics and Astronomy, West Virginia University, Morgantown, West Virginia 26506-6315 (United States); Institute of Physics, National Academy of Sciences of Ukraine, Kiev 03028 (Ukraine); Babakiray, Sercan; Lederman, David [Department of Physics and Astronomy, West Virginia University, Morgantown, West Virginia 26506-6315 (United States)

    2015-10-07

    Raman measurements of a Fano-type surface phonon mode associated with Dirac surface states (SS) in Bi{sub 2}Se{sub 3} topological insulator thin films allowed an unambiguous determination of the electron-phonon coupling strength in Dirac SS as a function of film thickness ranging from 2 to 40 nm. A non-monotonic enhancement of the electron-phonon coupling strength with maximum for the 8–10 nm thick films was observed. The non-monotonicity is suggested to originate from plasmon-phonon coupling which enhances electron-phonon coupling when free carrier density in Dirac SS increases with decreasing film thickness and becomes suppressed for thinnest films when anharmonic coupling between in-plane and out-of-plane phonon modes occurs. The observed about four-fold enhancement of electron-phonon coupling in Dirac SS of the 8–10 nm thick Bi{sub 2}Se{sub 3} films with respect to the bulk samples may provide new insights into the origin of superconductivity in this-type materials and their applications.

  9. Theoretical study on photon-phonon coupling at (001)-(2 x 1) surfaces of Ge and {alpha}-Sn

    Energy Technology Data Exchange (ETDEWEB)

    Perez-Sanchez, F.L. [Escuela de Ciencias, Universidad Autonoma ' ' Benito Juarez' ' de Oaxaca, Av. Universidad S/N, Ex-Hacienda de Cinco Senores, Ciudad Universitaria, Oaxaca de Juarez, Oax., 68120 (Mexico); Perez-Rodriguez, F. [Instituto de Fisica, Benemerita Universidad Autonoma de Puebla, Apdo. Post. J-48, Puebla, Pue. 72570 (Mexico)

    2011-06-15

    We present a study of the far-infrared reflectance anisotropy spectra for (001) surfaces of Ge and {alpha}-Sn in the (2 x 1) asymmetric dimer geometry, which exhibit a resonance structure associated with the excitation of surface phonon modes. We have employed a theoretical formalism, based on the adiabatic bond-charge model (ABCM), for computing the far-infrared reflectance anisotropy spectra. In comparison with previous theoretical results for silicon and diamond surfaces, the resonance structure in the reflectance anisotropy spectrum for Ge(001)-(2 x 1) turns out to be similar to that observed in the spectrum for the Si(001)-(2 x 1) surface, whereas the spectrum for {alpha}-Sn(001)-(2 x 1) surface is noticeably different from the others. We have established a trend of far-infrared reflectance anisotropy spectra for IV(001) surfaces: the weaker dimer strength, the stronger resonances of low-frequency surface phonons. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. Phonon-induced optical superlattice.

    Science.gov (United States)

    de Lima, M M; Hey, R; Santos, P V; Cantarero, A

    2005-04-01

    We demonstrate the formation of a dynamic optical superlattice through the modulation of a semiconductor microcavity by stimulated acoustic phonons. The high coherent phonon population produces a folded optical dispersion relation with well-defined energy gaps and renormalized energy levels, which are accessed using reflection and diffraction experiments.

  11. Phonon linewidths in YNi2B2C

    Indian Academy of Sciences (India)

    Abstract. Phonons in a metal interact with conduction electrons which give rise to a finite linewidth. In the normal state, this leads to a Lorentzian shape of the phonon line. Density functional theory is able to predict the phonon linewidths as a function of wave vector for each branch of the phonon dispersion. An experimental ...

  12. Phonon dispersion relations of Sb2S3 and Bi2S3 using the supercell force-constant method

    Science.gov (United States)

    Gan, Chee Kwan; Chua, Kun Ting Eddie; Liu, Yun

    2015-03-01

    We present a lattice dynamical study on the orthorhombic antimony sulphide (Sb2S3) and bismuth sulphide (Bi2S3) using the supercell force-constant method. We find that the slow decay of the interatomic force constants for these compounds in the Pnma setting critically demand the use of a large supercell of 2 × 4 × 2 that consists of 320 atoms. To enable a practical calculation the space group information is fully utilized where only inequivalent atoms within the primitive cell are displaced for the force calculations. The effect of Born effective charges is incorporated into the method. We compare our results with that obtained from the density-functional perturbation theory. We found that smaller supercells could lead to unphysical acoustic phonon softening and lifting of the degeneracies along high symmetry directions. Our results provide a proper guideline for the use of the supercell force-constant method: the supercell size must be carefully be tested along with other parameters such as the kinetic energy cutoff, the Brillouin zone sampling or the self-consistent convergence criteria.

  13. Skeletonized wave equation of surface wave dispersion inversion

    KAUST Repository

    Li, Jing

    2016-09-06

    We present the theory for wave equation inversion of dispersion curves, where the misfit function is the sum of the squared differences between the wavenumbers along the predicted and observed dispersion curves. Similar to wave-equation travel-time inversion, the complicated surface-wave arrivals in traces are skeletonized as simpler data, namely the picked dispersion curves in the (kx,ω) domain. Solutions to the elastic wave equation and an iterative optimization method are then used to invert these curves for 2D or 3D velocity models. This procedure, denoted as wave equation dispersion inversion (WD), does not require the assumption of a layered model and is less prone to the cycle skipping problems of full waveform inversion (FWI). The synthetic and field data examples demonstrate that WD can accurately reconstruct the S-wave velocity distribution in laterally heterogeneous media.

  14. Influence of the electron-phonon iinteraction on phonon heat conduction in a molecular nanowire

    Directory of Open Access Journals (Sweden)

    Galović Slobodanka P.

    2006-01-01

    Full Text Available A model for phonon heat conduction in a molecular nanowire is developed. The calculation takes into account modification of the acoustic phonon dispersion relation due to the electron-phonon interaction. The results obtained are compared with models based upon a simpler, Callaway formula.

  15. Laboratory Study of Dispersion of Buoyant Surface Plumes

    DEFF Research Database (Denmark)

    Petersen, Ole; Larsen, Torben

    1990-01-01

    A laboratory a study on surface dispersion of buoyant plumes in open channel turbulence in made, where the buoyancy is due to both salinity and heat. The measured parameters are the downstream derivative of a plume width and height, which are integral-characteristics of the distributions of density...

  16. An energy dispersive time resolved liquid surface reflectometer

    CERN Document Server

    Garrett, R F; King, D J; Dowling, T L; Fullagar, W

    2001-01-01

    Two designs are presented for an energy dispersive liquid surface reflectometer with time resolution in the milli-second domain. The designs utilise rotating crystal and Laue analyser optics respectively to energy analyse a pink synchrotron X-ray beam after reflection from a liquid surface. Some performance estimates are presented, along with results of a test experiment using a laboratory source and solid state detector.

  17. Optimizing phonon scattering by tuning surface-interdiffusion-driven intermixing to break the random-alloy limit of thermal conductivity

    Science.gov (United States)

    Yang, Xiaolong; Li, Wu

    2018-01-01

    We investigate the evolution of the cross-plane thermal conductivity κ of superlattices (SLs) as interfaces change from perfectly abrupt to totally intermixed, by using nonequilibrium molecular dynamics simulations in combination with the spectral heat current calculations. We highlight the role of surface-interdiffusion-driven intermixing by calculating the κ of SLs with changing interface roughness, whose tuning allows for κ values much lower than the "alloy limit" and the abrupt interface limit in same cases. The interplay between alloy and interface scattering in different frequency ranges provides a physical basis to predict a minimum of thermal conductivity. More specifically, we also explore how the interface roughness affects the thermal conductivities for SL materials with a broad span of atomic mass and bond strength. In particular, we find that (i) only when the "spacer" thickness of SLs increases up to a critical value, κ of rough SLs can break the corresponding "alloy limit," since SLs with different "spacer" thickness have different characteristic length of phonon transport, which is influenced by surface-interdiffusion-driven intermixing to different extend. (ii) Whether κ changes monotonically with interface roughness strongly depends on the period length and intrinsic behavior of phonon transport for SL materials. Especially, for the SL with large period length, there exists an optimal interface roughness that can minimize the thermal conductivity. (iii) Surface-interdiffusion-driven intermixing is more effective in achieving a low κ below the alloy limit for SL materials with large mass mismatch than with small one. (iv) It is possible for SL materials with large lattice mismatch (i.e., bond strength) to design an ideally abrupt interface structure with κ much below the alloy limit. These results have clear implications for optimization of thermal transport for heat management and for the development of thermoelectric materials.

  18. Optimized nonlinear inversion of surface-wave dispersion data

    International Nuclear Information System (INIS)

    Raykova, Reneta B.

    2014-01-01

    A new code for inversion of surface wave dispersion data is developed to obtain Earth’s crustal and upper mantle velocity structure. The author developed Optimized Non–Linear Inversion ( ONLI ) software, based on Monte-Carlo search. The values of S–wave velocity VS and thickness h for a number of horizontal homogeneous layers are parameterized. Velocity of P–wave VP and density ρ of relevant layers are calculated by empirical or theoretical relations. ONLI explores parameters space in two modes, selective and full search, and the main innovation of software is evaluation of tested models. Theoretical dispersion curves are calculated if tested model satisfied specific conditions only, reducing considerably the computation time. A number of tests explored impact of parameterization and proved the ability of ONLI approach to deal successfully with non–uniqueness of inversion problem. Key words: Earth’s structure, surface–wave dispersion, non–linear inversion, software

  19. Carbon nanowires: Phonon and π -electron confinement

    Science.gov (United States)

    Milani, Alberto; Tommasini, Matteo; Del Zoppo, Mirella; Castiglioni, Chiara; Zerbi, Giuseppe

    2006-10-01

    The phonon dispersion of an isolated linear chain of carbon atoms is studied by density functional theory. It is shown that the longitudinal optical phonon at the Γ point is affected by Kohn anomaly. Moreover the slope of this phonon branch is modulated by the degree of bond length alternation of the chain and reaches its maximum value in the case of the cumulenic structure (equalized bonds). Phonon dispersion curves of the infinite system computed for different values of the bond length alternation can be put in correspondence with the Raman active modes of finite carbon chains.

  20. Enhancement of dissolution of Telmisartan through use of solid dispersion technique surface solid dispersion

    Directory of Open Access Journals (Sweden)

    Bhumika Patel

    2012-01-01

    Full Text Available The present study was aimed to increase the solubility of the poorly water soluble drug Telmisartan by using Surface solid dispersion (SSD made of polymers like Poloxamer 407, PEG 6000 by Solvent evaporation method. The drug was solubilized by surfactants and/or polymers then adsorbed onto the surface of extremely fine carriers to increase its surface area and to form the SSD which give the more Surface area for absorption of the drug. A 2 2 full factorial design was used to investigate for each carrier the joint influence of formulation variables: Amount of carrier and adsorbent. Saturation solubility studies shows the improvement in solubility of drug batch SSD 8 give more solubility improvement than the other batch, in-vitro dissolution of pure drug, physical mixtures and SSDs were carried out in that SSDs were found to be effective in increasing the dissolution rate of Telmisartan in form of SSD when compared to pure drug. Also FT-IR spectroscopy, differential scanning calorimetry and X-ray diffractometry studies were carried out in order to characterize the drug and Surface solid dispersion. Furthermore, both DSC and X-ray diffraction showed a decrease in the melting enthalpy and reduced drug crystallinity consequently in SSDs. However, infrared spectroscopy revealed no drug interactions with the carriers.

  1. Surface spectroscopy using inelastic scattering of He atoms

    International Nuclear Information System (INIS)

    Doak, R.B.

    1986-01-01

    A low energy (∼0 meV) neutral helium atomic beam has been scattered from crystal surfaces. Energy gain and face phonons may be measured by time-of-flight analysis of single phonon scattering dominates, allowing the frequency and wave vector of individual surface phonons to be determined and their dispersion relations plotted. Resonant interaction with bound states of the helium in the surface potential well is found to greatly affect the inelastic scattering cross-sections. 23 references, 27 figures

  2. Temperature dependence of phonons in pyrolitic graphite

    International Nuclear Information System (INIS)

    Brockhouse, B.N.; Shirane, G.

    1977-01-01

    Dispersion curves for longitudinal and transverse phonons propagating along and near the c-axis in pyrolitic graphite at temperatures between 4 0 K and 1500 0 C have been measured by neutron spectroscopy. The observed frequencies decrease markedly with increasing temperature (except for the transverse optical ''rippling'' modes in the hexagonal planes). The neutron groups show interesting asymmetrical broadening ascribed to interference between one phonon and many phonon processes

  3. Hydration-controlled bacterial motility and dispersal on surfaces

    DEFF Research Database (Denmark)

    Dechesne, Arnaud; Wang, G.; Gulez, Gamze

    2010-01-01

    Flagellar motility, a mode of active motion shared by many prokaryotic species, is recognized as a key mechanism enabling population dispersal and resource acquisition in microbial communities living in marine, freshwater, and other liquid-replete habitats. By contrast, its role in variably...... resume motility in response to periodic increases in hydration. We propose a biophysical model that captures key effects of hydration and liquid-film thickness on individual cell velocity and use a simple roughness network model to simulate colony expansion. Model predictions match experimental results...... the costs associated with flagella synthesis and explain the sustained presence of flagellated prokaryotes in partially saturated habitats such as soil surfaces....

  4. SURFACE-MODIFIED COALS FOR ENHANCED CATALYST DISPERSION AND LIQUEFACTION

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Yaw D. Yeboah

    1999-09-01

    This is the final report of the Department of Energy Sponsored project DE-FGF22-95PC95229 entitled, surface modified coals for enhanced catalyst dispersion and liquefaction. The aims of the study were to enhance catalyst loading and dispersion in coal for improved liquefaction by preadsorption of surfactants and catalysts on the coal and to train and educate minority scientists in catalysts and separation science. Illinois No. 6 Coal (DEC-24) was selected for the study. The surfactants investigated included dodecyl dimethyl ethyl ammonium bromide (DDAB), a cationic surfactant, sodium dodecyl sulfate, an anionic surfactant, and Triton x-100, a neutral surfactant. Ammonium molybdate tetrahydrate was used as the molybdenum catalyst precursor. Zeta potential, BET, FTIR, AFM, UV-Vis and luminescence intensity measurements were undertaken to assess the surface properties and the liquefaction activities of the coal. The parent coal had a net negative surface charge over the pH range 2-12. However, in the presence of DDAB the negativity of the surface charge decreased. At higher concentrations of DDAB, a positive surface charge resulted. In contrast to the effect of DDAB, the zeta potential of the coal became more negative than the parent coal in the presence of SDS. Adsorption of Triton reduced the net negative charge density of the coal samples. The measured surface area of the coal surface was about 30 m{sup 2}/g compared to 77m{sup 2}/g after being washed with deionized water. Addition of the surfactants decreased the surface area of the samples. Adsorption of the molybdenum catalyst increased the surface area of the coal sample. The adsorption of molybdenum on the coal was significantly promoted by preadsorption of DDAB and SDS. Molybdenum adsorption showed that, over a wide range of concentrations and pH values, the DDAB treated coal adsorbed a higher amount of molybdenum than the samples treated with SDS. The infrared spectroscopy (FTIR) and the atomic force

  5. New aspects of electronic excitations at the bismuth surface: Topology, thermalization and coupling to coherent phonons

    Energy Technology Data Exchange (ETDEWEB)

    Perfetti, L., E-mail: luca.perfetti@polytechnique.edu [Laboratoire des Solides Irradiés, Ecole Polytechnique – CEA/DSM – CNRS UMR 7642, 91128 Palaiseau (France); Faure, J. [Laboratoire d’Optique Appliquée, Ecole Polytechnique – ENSTA – CNRS UMR 7639, 91761 Palaiseau (France); Papalazarou, E.; Mauchain, J.; Marsi, M.; Goerbig, M.O. [Laboratoire de Physique des Solides, CNRS UMR 8502, Université Paris-Sud, F-91405 Orsay (France); Taleb-Ibrahimi, A.; Ohtsubo, Y. [Synchrotron SOLEIL, Saint-Aubin-BP 48, F-91192 Gif sur Yvette (France)

    2015-05-15

    We review measurements of angle and time resolved photoelectron spectroscopy on the surface states of the Bi(1 1 1) surface. The work covers several aspects of these surface states, discussing the topological properties, the strong anisotropy of the spin–orbit splitting and the dynamical relaxation of photoexcited electrons. Since time resolved experiments disentagle interaction processes in real time, the reported data offer a novel perspective on the motion of charge carriers in surface states and will serve as an unuseful reference for other systems with strong spin–orbit coupling.

  6. Rode's iterative calculation of surface optical phonon scattering limited electron mobility in N-polar GaN devices

    International Nuclear Information System (INIS)

    Ghosh, Krishnendu; Singisetti, Uttam

    2015-01-01

    N-polar GaN channel mobility is important for high frequency device applications. Here, we report theoretical calculations on the surface optical (SO) phonon scattering rate of two-dimensional electron gas (2DEG) in N-polar GaN quantum well channels with high-k dielectrics. Rode's iterative calculation is used to predict the scattering rate and mobility. Coupling of the GaN plasmon modes with the SO modes is taken into account and dynamic screening is employed under linear polarization response. The effect of SO phonons on 2DEG mobility was found to be small at >5 nm channel thickness. However, the SO mobility in 3 nm N-polar GaN channels with HfO 2 and ZrO 2 high-k dielectrics is low and limits the total mobility. The SO scattering for SiN dielectric on GaN was found to be negligible due to its high SO phonon energy. Using Al 2 O 3 , the SO phonon scattering does not affect mobility significantly only except the case when the channel is too thin with a low 2DEG density

  7. Semi-Dirac points in phononic crystals

    KAUST Repository

    Zhang, Xiujuan

    2014-01-01

    A semi-Dirac cone refers to a peculiar type of dispersion relation that is linear along the symmetry line but quadratic in the perpendicular direction. It was originally discovered in electron systems, in which the associated quasi-particles are massless along one direction, like those in graphene, but effective-mass-like along the other. It was reported that a semi-Dirac point is associated with the topological phase transition between a semi-metallic phase and a band insulator. Very recently, the classical analogy of a semi-Dirac cone has been reported in an electromagnetic system. Here, we demonstrate that, by accidental degeneracy, two-dimensional phononic crystals consisting of square arrays of elliptical cylinders embedded in water are also able to produce the particular dispersion relation of a semi-Dirac cone in the center of the Brillouin zone. A perturbation method is used to evaluate the linear slope and to affirm that the dispersion relation is a semi-Dirac type. If the scatterers are made of rubber, in which the acoustic wave velocity is lower than that in water, the semi-Dirac dispersion can be characterized by an effective medium theory. The effective medium parameters link the semi-Dirac point to a topological transition in the iso-frequency surface of the phononic crystal, in which an open hyperbola is changed into a closed ellipse. This topological transition results in drastic change in wave manipulation. On the other hand, the theory also reveals that the phononic crystal is a double-zero-index material along the x-direction and photonic-band-edge material along the perpendicular direction (y-direction). If the scatterers are made of steel, in which the acoustic wave velocity is higher than that in water, the effective medium description fails, even though the semi-Dirac dispersion relation looks similar to that in the previous case. Therefore different wave transport behavior is expected. The semi-Dirac points in phononic crystals described in

  8. Phonon manipulation with phononic crystals.

    Energy Technology Data Exchange (ETDEWEB)

    Kim Bongsang; Hopkins, Patrick Edward; Leseman, Zayd C.; Goettler, Drew F.; Su, Mehmet F. (University of New Mexico, Albuquerque, NM); El-Kady, Ihab Fathy; Reinke, Charles M.; Olsson, Roy H., III

    2012-01-01

    In this work, we demonstrated engineered modification of propagation of thermal phonons, i.e. at THz frequencies, using phononic crystals. This work combined theoretical work at Sandia National Laboratories, the University of New Mexico, the University of Colorado Boulder, and Carnegie Mellon University; the MESA fabrication facilities at Sandia; and the microfabrication facilities at UNM to produce world-leading control of phonon propagation in silicon at frequencies up to 3 THz. These efforts culminated in a dramatic reduction in the thermal conductivity of silicon using phononic crystals by a factor of almost 30 as compared with the bulk value, and about 6 as compared with an unpatterned slab of the same thickness. This work represents a revolutionary advance in the engineering of thermoelectric materials for optimal, high-ZT performance. We have demonstrated the significant reduction of the thermal conductivity of silicon using phononic crystal structuring using MEMS-compatible fabrication techniques and in a planar platform that is amenable to integration with typical microelectronic systems. The measured reduction in thermal conductivity as compared to bulk silicon was about a factor of 20 in the cross-plane direction [26], and a factor of 6 in the in-plane direction. Since the electrical conductivity was only reduced by a corresponding factor of about 3 due to the removal of conductive material (i.e., porosity), and the Seebeck coefficient should remain constant as an intrinsic material property, this corresponds to an effective enhancement in ZT by a factor of 2. Given the number of papers in literature devoted to only a small, incremental change in ZT, the ability to boost the ZT of a material by a factor of 2 simply by reducing thermal conductivity is groundbreaking. The results in this work were obtained using silicon, a material that has benefitted from enormous interest in the microelectronics industry and that has a fairly large thermoelectric power

  9. Interface optical phonons and their electron-phonon interactions in ZnS/CdS multi-shell spherical quantum dots

    Science.gov (United States)

    Huang, Wen Deng; Bao, Li Fu; Ren, Ya Jie; Yuan, Zhao Lin

    2018-04-01

    The properties of interface optical phonons and their electron-phonon interactions in ZnS/CdS multi-shell spherical quantum dots are studied by adopting dielectric continuum model. The dispersion curves and electron-phonon coupling strengths for interface optical phonons in ZnS/CdS multi-shell dots are calculated and analyzed in detail. It is shown that the number of interface optical phonon branches increase with the increase of layers of multi-shell quantum dots. The number of interface optical phonons increase two branches for increasing one layer material. The dispersions of interface optical phonon with low quantum number l are weak. The electron-interface optical phonon interactions are mainly localized at hetero-interfaces. The interface optical phonons with low quantum number l have important contribution to electron-interface optical phonon interactions.

  10. Resonant surface-enhanced Raman scattering by optical phonons in a monolayer of CdSe nanocrystals on Au nanocluster arrays

    Energy Technology Data Exchange (ETDEWEB)

    Milekhin, Alexander G., E-mail: milekhin@isp.nsc.ru [A.V. Rzhanov Institute of Semiconductor Physics, pr. Lavrentjeva, 13, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, Pirogov str. 2, 630090 Novosibirsk (Russian Federation); Sveshnikova, Larisa L.; Duda, Tatyana A. [A.V. Rzhanov Institute of Semiconductor Physics, pr. Lavrentjeva, 13, 630090 Novosibirsk (Russian Federation); Rodyakina, Ekaterina E. [A.V. Rzhanov Institute of Semiconductor Physics, pr. Lavrentjeva, 13, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, Pirogov str. 2, 630090 Novosibirsk (Russian Federation); Dzhagan, Volodymyr M. [Semiconductor Physics, Technische Universität Chemnitz, D-09107 Chemnitz (Germany); Sheremet, Evgeniya [Solid Surfaces Analysis, Technische Universität Chemnitz, D-09107 Chemnitz (Germany); Gordan, Ovidiu D. [Semiconductor Physics, Technische Universität Chemnitz, D-09107 Chemnitz (Germany); Himcinschi, Cameliu [Institut für Theoretische Physik, TU Bergakademie Freiberg, 09596 Freiberg (Germany); Latyshev, Alexander V. [A.V. Rzhanov Institute of Semiconductor Physics, pr. Lavrentjeva, 13, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, Pirogov str. 2, 630090 Novosibirsk (Russian Federation); Zahn, Dietrich R.T. [Semiconductor Physics, Technische Universität Chemnitz, D-09107 Chemnitz (Germany)

    2016-05-01

    Highlights: • Regular Au nanocluster and dimer arrays as well as single Au dimers are fabricated. • Resonant SERS by monolayers of CdSe nanocrystals deposited on the Au nanostructures is observed. • LO energy change for CdSe NCs on different single Au dimers indicates SERS by single or a few NCs. - Abstract: Here we present the results on an investigation of resonant Stokes and anti- Stokes surface-enhanced Raman scattering (SERS) by optical phonons in colloidal CdSe nanocrystals (NCs) homogeneously deposited on arrays of Au nanoclusters using the Langmuir–Blodgett technology. The thickness of deposited NCs, determined by transmission and scanning electron microscopy, amounts to approximately 1 monolayer. Special attention is paid to the determination of the localized surface plasmon resonance (LSPR) energy in the arrays of Au nanoclusters as a function of the nanocluster size by means of micro-ellipsometry. SERS by optical phonons in CdSe NCs shows a significant enhancement factor with a maximal value of 2 × 10{sup 3} which depends resonantly on the Au nanocluster size and thus on the LSPR energy. The deposition of CdSe NCs on the arrays of Au nanocluster dimers enabled us to study the polarization dependence of SERS. It was found that a maximal SERS signal is observed for the light polarization along the dimer axis. Finally, SERS by optical phonons was observed for CdSe NCs deposited on the structures with a single Au dimer. A difference of the LO phonon energy is observed for CdSe NCs on different single dimers. This effect is explained as the confinement-induced shift which depends on the CdSe nanocrystal size and indicates quasi-single NC Raman spectra being obtained.

  11. Terahertz acoustic phonon detection from a compact surface layer of spherical nanoparticles powder mixture of aluminum, alumina and multi-walled carbon nanotube

    Science.gov (United States)

    Abouelsayed, A.; Ebrahim, M. R.; El hotaby, W.; Hassan, S. A.; Al-Ashkar, Emad

    2017-10-01

    We present terahertz spectroscopy study on spherical nanoparticles powder mixture of aluminum, alumina, and MWCNTs induced by surface mechanical attrition treatment (SMAT) of aluminum substrates. Surface alloying of AL, Al2O3 0.95% and MWCNTs 0.05% powder mixture was produced during SMAT process, where a compact surface layer of about 200 μm due to ball bombardment was produced from the mixture. Al2O3 alumina powder played a significant role in MWCNTs distribution on surface, those were held in deformation surface cites of micro-cavities due to SMAT process of Al. The benefits are the effects on resulted optical properties of the surface studied at the terahertz frequency range due to electrical isolation confinement effects and electronic resonance disturbances exerted on Al electronic resonance at the same range of frequencies. THz acoustic phonon around 0.53-0.6 THz (17-20 cm-1) were observed at ambient conditions for the spherical nanoparticles powder mixture of Al, Al2O3 and MWCNTs. These results suggested that the presence of Al2O3 and MWCNTs during SMAT process leads to the optically detection of such acoustic phonon in the THz frequency range.

  12. Electron-phonon interactions from first principles

    Science.gov (United States)

    Giustino, Feliciano

    2017-01-01

    This article reviews the theory of electron-phonon interactions in solids from the point of view of ab initio calculations. While the electron-phonon interaction has been studied for almost a century, predictive nonempirical calculations have become feasible only during the past two decades. Today it is possible to calculate from first principles many materials properties related to the electron-phonon interaction, including the critical temperature of conventional superconductors, the carrier mobility in semiconductors, the temperature dependence of optical spectra in direct and indirect-gap semiconductors, the relaxation rates of photoexcited carriers, the electron mass renormalization in angle-resolved photoelectron spectra, and the nonadiabatic corrections to phonon dispersion relations. In this article a review of the theoretical and computational framework underlying modern electron-phonon calculations from first principles as well as landmark investigations of the electron-phonon interaction in real materials is given. The first part of the article summarizes the elementary theory of electron-phonon interactions and their calculations based on density-functional theory. The second part discusses a general field-theoretic formulation of the electron-phonon problem and establishes the connection with practical first-principles calculations. The third part reviews a number of recent investigations of electron-phonon interactions in the areas of vibrational spectroscopy, photoelectron spectroscopy, optical spectroscopy, transport, and superconductivity.

  13. Response surface analysis to improve dispersed crude oil biodegradation

    Energy Technology Data Exchange (ETDEWEB)

    Zahed, Mohammad A.; Aziz, Hamidi A.; Mohajeri, Leila [School of Civil Engineering, Universiti Sains Malaysia, Nibong Tebal, Penang (Malaysia); Isa, Mohamed H. [Civil Engineering Department, Universiti Teknologi PETRONAS, Tronoh, Perak (Malaysia)

    2012-03-15

    In this research, the bioremediation of dispersed crude oil, based on the amount of nitrogen and phosphorus supplementation in the closed system, was optimized by the application of response surface methodology and central composite design. Correlation analysis of the mathematical-regression model demonstrated that a quadratic polynomial model could be used to optimize the hydrocarbon bioremediation (R{sup 2} = 0.9256). Statistical significance was checked by analysis of variance and residual analysis. Natural attenuation was removed by 22.1% of crude oil in 28 days. The highest removal on un-optimized condition of 68.1% were observed by using nitrogen of 20.00 mg/L and phosphorus of 2.00 mg/L in 28 days while optimization process exhibited a crude oil removal of 69.5% via nitrogen of 16.05 mg/L and phosphorus 1.34 mg/L in 27 days therefore optimization can improve biodegradation in shorter time with less nutrient consumption. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  14. Three-dimensional phonon population anisotropy in silicon nanomembranes

    Energy Technology Data Exchange (ETDEWEB)

    McElhinny, Kyle M.; Gopalakrishnan, Gokul; Holt, Martin V.; Czaplewski, David A.; Evans, Paul G.

    2017-07-01

    Nanoscale single crystals possess modified phonon dispersions due to the truncation of the crystal. The introduction of surfaces alters the population of phonons relative to the bulk and introduces anisotropy arising from the breaking of translational symmetry. Such modifications exist throughout the Brillouin zone, even in structures with dimensions of several nanometers, posing a challenge to the characterization of vibrational properties and leading to uncertainty in predicting the thermal, optical, and electronic properties of nanomaterials. Synchrotron x-ray thermal diffuse scattering studies find that freestanding Si nanomembranes with thicknesses as large as 21 nm exhibit a higher scattering intensity per unit thickness than bulk silicon. In addition, the anisotropy arising from the finite thickness of these membranes produces particularly intense scattering along reciprocal-space directions normal to the membrane surface compared to corresponding in-plane directions. These results reveal the dimensions at which calculations of materials properties and device characteristics based on bulk phonon dispersions require consideration of the nanoscale size of the crystal.

  15. Four-phonon scattering reduces intrinsic thermal conductivity of graphene and the contributions from flexural phonons

    Science.gov (United States)

    Feng, Tianli; Ruan, Xiulin

    2018-01-01

    We have developed a formalism of the exact solution to linearized phonon Boltzmann transport equation (BTE) for thermal conductivity calculation including three- and four-phonon scattering. We find strikingly high four-phonon scattering rates in single-layer graphene (SLG) based on the optimized Tersoff potential. The reflection symmetry in graphene, which forbids the three-ZA (out-of-plane acoustic) scattering, allows the four-ZA processes ZA +ZA ⇌ZA +ZA and ZA ⇌ZA +ZA + ZA. As a result, the large phonon population of the low-energy ZA branch originated from the quadratic phonon dispersion leads to high four-phonon scattering rates, even much higher than the three-phonon scattering rates at room temperature. These four-phonon processes are dominated by the normal processes, which lead to a failure of the single mode relaxation time approximation. Therefore, we have solved the exact phonon BTE using an iterative scheme and then calculated the length- and temperature-dependent thermal conductivities. We find that the predicted thermal conductivity of SLG is lower than the previously predicted value from the three-phonon scattering only. The relative contribution of the ZA branch is reduced from 70% to 30% when four-phonon scattering is included. Furthermore, we have demonstrated that the four-phonon scattering in multilayer graphene and graphite is not strong due to the ZA splitting by interlayer van der Waals interaction. We also demonstrate that the five-phonon process in SLG is not strong due to the restriction of reflection symmetry.

  16. Investigating the conformation of polymeric dispersant molecules on nanoparticle surface

    International Nuclear Information System (INIS)

    Yasin, S.; Luckham, P.F.; Iqbal, T

    2016-01-01

    Block copolymers are widely used as stabilizers in industrial dispersions. These polymers adsorb on surfaces by an anchor chain and extend by a hydrophilic chain. Scaling model or de Gennes theory has been used to determine the grafting density of the block copolymers. By implementing this theory to the block copolymers, conformation of the polymer molecules as a function of distance between adjacent anchor chains can be determined. The scaling model was applied to a selection of block copolymers (PE/F 103, PE/F 108, NPE1800, Triton X100, Triton X405, Lugalvan BNO12, Hypermer LP1, Hypermer B246 and OLOA 11000) in this study. The cross sectional area sc, distance s (square root of sc) and the Flory radius (end to end dimension of polymer), Rf, for all the polymers was determined. The cross sectional area per PEO (Poly Ethylene Oxide) chain (nm2) was found to be increasing with the size of stabilizing chain. Triton X100 and Lugalvan BNO12 has the smaller stabilizing chains so occupy smaller cross sectional areas whereas PE/F108 and triton X405 have larger number of PEO units and occupy a larger cross sectional area. This shows that stabilizing chain regulates the adsorption amounts that are lower in case of lower number of EO units. The application of de Gennes theory to experimental results suggested brush configuration of adsorbed polymer molecules in case of PE/F 103, PE/F 108, Triton X100, Triton X405, NPE1800, Lugalvan BNO12, Hypermer B246 and OLOA 11000. Whereas, Hypermer LP1 is more likely found to be adsorbed on graphitic carbon black in loops and trains. (author)

  17. Dispersion analysis of passive surface-wave noise generated during hydraulic-fracturing operations

    Science.gov (United States)

    Forghani-Arani, Farnoush; Willis, Mark; Snieder, Roel; Haines, Seth S.; Behura, Jyoti; Batzle, Mike; Davidson, Michael

    2014-01-01

    Surface-wave dispersion analysis is useful for estimating near-surface shear-wave velocity models, designing receiver arrays, and suppressing surface waves. Here, we analyze whether passive seismic noise generated during hydraulic-fracturing operations can be used to extract surface-wave dispersion characteristics. Applying seismic interferometry to noise measurements, we extract surface waves by cross-correlating several minutes of passive records; this approach is distinct from previous studies that used hours or days of passive records for cross-correlation. For comparison, we also perform dispersion analysis for an active-source array that has some receivers in common with the passive array. The active and passive data show good agreement in the dispersive character of the fundamental-mode surface-waves. For the higher mode surface waves, however, active and passive data resolve the dispersive properties at different frequency ranges. To demonstrate an application of dispersion analysis, we invert the observed surface-wave dispersion characteristics to determine the near-surface, one-dimensional shear-wave velocity.

  18. Effect of surface energy on dispersion and mechanical properties of polymer/nanocrystalline cellulose nanocomposites.

    Science.gov (United States)

    Khoshkava, V; Kamal, M R

    2013-09-09

    Dispersion quality and polymer-filler interaction are important factors in determining the final properties of polymer nanocomposites. Surface energy of nanocrystalline cellulose (NCC) and some polymers (polypropylene, PP, and polylactic acid, PLA) was measured at room and high temperatures. NCC had higher polarity and surface energy than PP and PLA at room temperature but had a lower surface energy at higher temperatures. The effect of surface modification with alkenyl succinic anhydride (ASA) on NCC surface energy at room and high temperature was studied. Total surface energy of NCC was lowered after surface modification. Thermodynamic work of adhesion for PP/NCC and PLA/NCC was lowered by NCC surface modification. A thermodynamic analysis is proposed to estimate the dispersion energy, based on surface energy measurements at room and high temperatures. Also, a dispersion factor is defined to provide a quantitative indication of the dispersibility of nanoparticles in a polymer matrix under various conditions. The required dispersion energy was reduced by lowering the interfacial tension. On the other hand, it increased as the quality of NCC dispersion (i.e., the nanoparticle surface area) in the system was improved. Surface modification of NCC with ASA had a negative effect on the compatibility between NCC and PLA, whereas it had a positive influence on compatibility between PP and NCC.

  19. Surface modification and characterization for dispersion stability of inorganic nanometer-scaled particles in liquid media

    International Nuclear Information System (INIS)

    Kamiya, Hidehiro; Iijima, Motoyuki

    2010-01-01

    Inorganic nanoparticles are indispensable for science and technology as materials, pigments and cosmetics products. Improving the dispersion stability of nanoparticles in various liquids is essential for those applications. In this review, we discuss why it is difficult to control the stability of nanoparticles in liquids. We also overview the role of surface interaction between nanoparticles in their dispersion and characterization, e.g. by colloid probe atomic force microscopy (CP-AFM). Two types of surface modification concepts, post-synthesis and in situ modification, were investigated in many previous studies. Here, we focus on post-synthesis modification using adsorption of various kinds of polymer dispersants and surfactants on the particle surface, as well as surface chemical reactions of silane coupling agents. We discuss CP-AFM as a technique to analyze the surface interaction between nanoparticles and the effect of surface modification on the nanoparticle dispersion in liquids. (topical review)

  20. Surface modification and characterization for dispersion stability of inorganic nanometer-scaled particles in liquid media

    Directory of Open Access Journals (Sweden)

    Hidehiro Kamiya and Motoyuki Iijima

    2010-01-01

    Full Text Available Inorganic nanoparticles are indispensable for science and technology as materials, pigments and cosmetics products. Improving the dispersion stability of nanoparticles in various liquids is essential for those applications. In this review, we discuss why it is difficult to control the stability of nanoparticles in liquids. We also overview the role of surface interaction between nanoparticles in their dispersion and characterization, e.g. by colloid probe atomic force microscopy (CP-AFM. Two types of surface modification concepts, post-synthesis and in situ modification, were investigated in many previous studies. Here, we focus on post-synthesis modification using adsorption of various kinds of polymer dispersants and surfactants on the particle surface, as well as surface chemical reactions of silane coupling agents. We discuss CP-AFM as a technique to analyze the surface interaction between nanoparticles and the effect of surface modification on the nanoparticle dispersion in liquids.

  1. Manipulation of Phonons with Phononic Crystals

    Energy Technology Data Exchange (ETDEWEB)

    Leseman, Zayd Chad [Univ. of New Mexico, Albuquerque, NM (United States)

    2015-07-09

    There were three research goals associated with this project. First, was to experimentally demonstrate phonon spectrum control at THz frequencies using Phononic Crystals (PnCs), i.e. demonstrate coherent phonon scattering with PnCs. Second, was to experimentally demonstrate analog PnC circuitry components at GHz frequencies. The final research goal was to gain a fundamental understanding of phonon interaction using computational methods. As a result of this work, 7 journal papers have been published, 1 patent awarded, 14 conference presentations given, 4 conference publications, and 2 poster presentations given.

  2. Surface decoration and dispersibility of carbon nanofibers in aqueous surfactant solution

    Science.gov (United States)

    Wang, B. M.; Zhang, Y.; Liu, S.

    2014-03-01

    As a novel functional nanomaterial, the dispersion effect of carbon nanofibers (CNFs) has a significant influence on the application of CNFs in the composites. Two effective surfactants, methylcellulose (MC) and polycarboxylate superplasticizer, were used to analyze the dispersion of CNFs in aqueous solution. A method utilizing ultrasonic processing was employed to achieve a homogenous CNF suspension, and the dispersion effect was further characterized by the method of measuring ultraviolet absorbency (UV absorbency), zeta potential, surface tension and transmission electron microscopy (TEM) micrographs. The results show that the zeta potential and surface tension reach the saturation plateau at MC concentration and polycarboxylate superplasticizer concentration of about 0.4 and 0.8 g/L, respectively, which reflects that the optimum concentration ratio of MC to CNFs is 2: 1, and the optimum dispersing polycarboxylate superplasticizer to CNFs ratio of 4: 1 is required to achieve dispersions with maximum achievable dispersion of CNFs.

  3. Surface composition and contact angle relationships for differently prepared solid dispersions.

    Science.gov (United States)

    Dahlberg, Carina; Millqvist-Fureby, Anna; Schuleit, Michael

    2008-10-01

    Solid dispersions are promising drug delivery forms which offer the possibility to disperse a hydrophobic drug in a hydrophilic matrix and thereby improve the dissolution behavior and the bioavailability of the drug. One important aspect and a prerequisite in understanding the drug dissolution mechanism from solid dispersions is a better analytical monitoring of the solid dispersion surface properties, such as powder surface composition and water adsorption properties. In this paper, we have considered chemical and structural surface analysis data for solid dispersions processed by spray drying or roto-evaporation and compared these data with information obtained by contact angle measurements. Firstly, we establish the usefulness and suitability of X-ray photoelectron spectroscopy (XPS) for determination of surface chemical composition and scanning electron microscopy (SEM) for determining the structure of solid dispersions composed of different types of carriers, drugs and drug concentrations. Secondly, we measure contact angles of solid dispersions to describe wettability, to finally establish a link between the surface chemical composition, the powder structure and the wetting behavior. These experimental methods offer a rapid screening tool for the selection of carrier, drug concentration and/or process in early development. In addition, they provide a useful tool for investigating structural aspects of solid dispersions which have intrinsic relevance for drug dissolution and stability.

  4. Long wave dispersion relations for surface waves in a magnetically structured atmosphere

    International Nuclear Information System (INIS)

    Rae, I.C.; Roberts, B.

    1983-01-01

    A means of obtaining approximate dispersion relations for long wavelength magnetoacoustic surface waves propagating in a magnetically structured atmosphere is presented. A general dispersion relation applying to a wide range of magnetic profiles is obtained, and illustrated for the special cases of a single interface and a magnetic slab. In the slab geometry, for example, the dispersion relation contains both the even (sausage) and odd (kink) modes in one formalism

  5. The complex dispersion relation of surface plasmon polaritons at gold/para-hexaphenylene interfaces

    DEFF Research Database (Denmark)

    Lemke, Christoph; Leißner, Till; Klick, Alwin

    2014-01-01

    Two-photon photoemission electron microscopy (2P-PEEM) is used to measure the real and imaginary part of the dispersion relation of surface plasmon polaritons at different interface systems. A comparison of calculated and measured dispersion data for a gold/vacuum interface demonstrates...

  6. Dissecting the structure of surface stabilizer on the dispersion of inorganic nanoparticles in aqueous medium

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Yong; Yu, Zongzhi; Zheng, Junping, E-mail: jpzheng@tju.edu.cn [Tianjin University, Tianjin Key Laboratory of Composite and Functional Materials, School of Materials Science and Engineering (China)

    2017-03-15

    Dispersing inorganic nanoparticles in aqueous solutions is a key requirement for a great variety of products and processes, including carriers in drug delivery or fillers in polymers. To be highly functional in the final product, inorganic particles are required to be finely dispersed in nanoscale. In this study, silica was selected as a representative inorganic particle. Surface stabilizers with different chain length and charged group were designed to reveal the influence of electrostatic and van der Waals forces between silica and stabilizer on the dispersion of silica particles in aqueous medium. Results showed surface stabilizer with longer alkyl chain and charged group exerted best ability to deaggregate silica, leading to a hydrodynamic size of 51.1 nm. Surface stabilizer designing with rational structure is a promising solution for deagglomerating and reducing process time and energy. Giving the designability and adaptability of surface stabilizer, this method is of potential for dispersion of other inorganic nanoparticles.

  7. Nearest-neighbour-interaction model in the coupled-optical-phonon-mode theory of the infrared dispersion in monoclinic crystals: Application to Tutton salt single crystal.

    Science.gov (United States)

    Ivanovski, V; Ivanovski, G

    2010-05-01

    The coupled-optical-phonon-mode theory of Barker and Hopfield of two mode interaction in isotropic crystals has been extended to monoclinic crystals. The analytical expressions for the calculation of the dielectric tensor elements in the ac crystal plane have been derived. It has been shown that the interaction dielectric model is a generalized expression of the dielectric tensor for monoclinic case when no interaction between modes is present. Also, the results of Barker and Hopfield are obtained from this more general theory, when an isotropic case is considered. In order to be able to investigate real crystals, meaning extending the interactions to a large number of pairs of modes, but at the same time to make the fitting procedure possible, a model dielectric function taking into account the interaction between modes with closest frequencies has been derived. The validity of the model obtained has been tested on a Tutton salt single crystal of K(2)Co(SO(4))(2).6H(2)O. The recorded spectra from the ac crystal plane were fitted in order to obtain best fit parameters. The comparison between the experimentally recorded spectra and the model reflectance function give good results and verify this model to be applicable. Copyright 2010 Elsevier B.V. All rights reserved.

  8. Phonon and thermal properties of achiral single wall carbon ...

    Indian Academy of Sciences (India)

    A detailed theoretical study of the phonon and thermal properties of achiral single wall carbon nanotubes has been carried out using force constant model considering up to third nearest-neighbor interactions. We have calculated the phonon dispersions, density of states, radial breathing modes (RBM) and the specific heats ...

  9. Surface-plasmon dispersion relation for the inhomogeneous charge-density medium

    International Nuclear Information System (INIS)

    Harsh, O.K.; Agarwal, B.K.

    1989-01-01

    The surface-plasmon dispersion relation is derived for the plane-bounded electron gas when there is an inhomogeneous charge-density distribution in the plasma. The hydrodynamical model is used. Both cphi and dcphi/dx are taken to be continuous at the surface of the slab, where cphi is the scalar potential. The dispersion relation is compared with the theoretical works of Stern and Ferrell and of Harsh and Agarwal. It is also compared with the observations of Kunz. A dispersion relation for the volume-plasmon oscillations is derived which resembles the well-known relation of Bohm and Pines

  10. Phonons in fcc binary alloys

    International Nuclear Information System (INIS)

    Sharma, Amita; Rathore, R.P.S.

    1992-01-01

    Born-Mayer potential has been modified to account for the unpaired (three body) forces among the common nearest neighbours of the ordered binary fcc alloys i.e. Ni 3 Fe 7 , Ni 5 Fe 5 and Ni 75 Fe 25 . The three body potential is added to the two body form of Morse to formalize the total interaction potential. Measured inverse ionic compressibility, cohesive energy, lattice constant and one measured phonon frequency are used to evaluate the defining parameters of the potential. The potential seeks to bring about the binding among 140 and 132 atoms though pair wise (two body) and non-pair wise (three body) forces respectively. The phonon-dispersion relations obtained by solving the secular equation are compared with the experimental findings on the aforesaid alloys. (author). 19 refs., 3 figs

  11. Observation of chiral phonons

    KAUST Repository

    Zhu, Hanyu

    2018-02-01

    Chirality reveals symmetry breaking of the fundamental interaction of elementary particles. In condensed matter, for example, the chirality of electrons governs many unconventional transport phenomena such as the quantum Hall effect. Here we show that phonons can exhibit intrinsic chirality in monolayer tungsten diselenide. The broken inversion symmetry of the lattice lifts the degeneracy of clockwise and counterclockwise phonon modes at the corners of the Brillouin zone. We identified the phonons by the intervalley transfer of holes through hole-phonon interactions during the indirect infrared absorption, and we confirmed their chirality by the infrared circular dichroism arising from pseudoangular momentum conservation. The chiral phonons are important for electron-phonon coupling in solids, phonon-driven topological states, and energy-efficient information processing.

  12. Theoretical study of the transverse acoustic phonons of GaSb at ...

    Indian Academy of Sciences (India)

    Abstract. We have investigated the phonon dispersion curves and one-phonon density of states up to the pressure of 8 GPa using a theoretical model, namely the rigid ion model. The transverse acoustic phonons as a function of pressure have been compared with the recently measured inelastic neutron scattering data ...

  13. Phonon structures of GaN-based random semiconductor alloys

    Science.gov (United States)

    Zhou, Mei; Chen, Xiaobin; Li, Gang; Zheng, Fawei; Zhang, Ping

    2017-12-01

    Accurate modeling of thermal properties is strikingly important for developing next-generation electronics with high performance. Many thermal properties are closely related to phonon dispersions, such as sound velocity. However, random substituted semiconductor alloys AxB1-x usually lack translational symmetry, and simulation with periodic boundary conditions often requires large supercells, which makes phonon dispersion highly folded and hardly comparable with experimental results. Here, we adopt a large supercell with randomly distributed A and B atoms to investigate substitution effect on the phonon dispersions of semiconductor alloys systematically by using phonon unfolding method [F. Zheng, P. Zhang, Comput. Mater. Sci. 125, 218 (2016)]. The results reveal the extent to which phonon band characteristics in (In,Ga)N and Ga(N,P) are preserved or lost at different compositions and q points. Generally, most characteristics of phonon dispersions can be preserved with indium substitution of gallium in GaN, while substitution of nitrogen with phosphorus strongly perturbs the phonon dispersion of GaN, showing a rapid disintegration of the Bloch characteristics of optical modes and introducing localized impurity modes. In addition, the sound velocities of both (In,Ga)N and Ga(N,P) display a nearly linear behavior as a function of substitution compositions. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjb/e2017-80481-0.

  14. [Response surface method optimize of nano-silica solid dispersion technology assistant enzymatic hydrolysis preparation genistein].

    Science.gov (United States)

    Jin, Xin; Zhang, Zhen-Hai; Zhu, Jing; Sun, E; Yu, Dan-Hong; Chen, Xiao-Yun; Liu, Qi-Yuan; Ning, Qing; Jia, Xiao-Bin

    2012-04-01

    This article reports that nano-silica solid dispersion technology was used to raise genistein efficiency through increasing the enzymatic hydrolysis rate. Firstly, genistin-nano-silica solid dispersion was prepared by solvent method. And differential scanning calorimetry (DSC) and transmission electron microscopy (TEM) were used to verify the formation of solid dispersion, then enzymatic hydrolysis of solid dispersion was done by snailase to get genistein. With the conversion of genistein as criteria, single factor experiments were used to study the different factors affecting enzymatic hydrolysis of genistin and its solid dispersion. And then, response surface method was used to optimize of nano-silica solid dispersion technology assistant enzymatic hydrolysis. The optimum condition to get genistein through enzymatic hydrolysis of genistin-nano-silica solid dispersion was pH 7.1, temperature 52.2 degrees C, enzyme concentration 5.0 mg x mL(-1) and reaction time 7 h. Under this condition, the conversion of genistein was (93.47 +/- 2.40)%. Comparing with that without forming the genistin-nano-silica solid dispersion, the conversion increased 2.62 fold. At the same time, the product of hydrolysis was purified to get pure genistein. The method of enzymatic hydrolysis of genistin-nano-silica solid dispersion by snailase to obtain genistein is simple, efficiency and suitable for the modern scale production.

  15. Neutron-Phonon Interaction Studies in Copper, Zinc and Magnesium Single Crystals

    International Nuclear Information System (INIS)

    Maliszewski, E.; Sosnowski, J.; Blinowski, K.; Kozubowski, J.; Padlo, L.; Sledziewska, D.

    1963-01-01

    The phonon dispersion relations in copper single crystals has been studied by means of a triple-axis crystal neutron spectrometer. In the [100] direction the transversal branch, not reported in the papers of Cabie and Jacrot, has been found. This branch fits well to the recent data of sound velocity; however, it differs partly from the X-ray results of Jacobsen. For the longitudinal branch in the [100] direction the dispersion curve obtained by Cribier and Jacrot is lying well above the Jacobsen's curve, and the experimental points reported in the present paper support the results of Cribier and Jacrot. The phonon dispersion relations in zinc and magnesium single crystals has been studied using the cold neutron method and by means of a triple-axis crystal neutron spectrometer as well. The scattering surfaces in the [1010] plane were traced, the AT and AL branches found and the phonon dispersion relations in the [001] and [010] directions obtained. The results have been compared with those obtained by Johnson with X-rays. In the [001] direction the present results fit well lo Johnson's foe the AL branch. In the [010] direction for the AT branch a large discrepancy has been found between Johnson's and the present results. Some explanation of this discrepancy is given. Similar measurements in the same directions in magnesium single crystals are under way and will be reported. (author) [fr

  16. Probing phonons in plutonium

    International Nuclear Information System (INIS)

    Wong, Joe; Krisch, M.; Farber, D.; Occelli, F.; Schwartz, A.; Chiang, T.C.; Wall, M.; Boro, C.; Xu, Ruqing

    2010-01-01

    Plutonium (Pu) is well known to have complex and unique physico-chemical properties. Notably, the pure metal exhibits six solid-state phase transformations with large volume expansions and contractions along the way to the liquid state: α → β → γ → (delta) → (delta)(prime) → (var e psilon) → liquid. Unalloyed Pu melts at a relatively low temperature ∼640 C to yield a higher density liquid than that of the solid from which it melts, (Figure 1). Detailed understanding of the properties of plutonium and plutonium-based alloys is critical for the safe handling, utilization, and long-term storage of these important, but highly toxic materials. However, both technical and and safety issues have made experimental observations extremely difficult. Phonon dispersion curves (PDCs) are key experimenta l data to the understanding of the basic properties of Pu materials such as: force constants, sound velocities, elastic constants, thermodynamics, phase stability, electron-phonon coupling, structural relaxation, etc. However, phonon dispersion curves (PDCs) in plutonium (Pu) and its alloys have defied measurement for the past few decades since the discovery of this element in 1941. This is due to a combination of the high thermal-neutron absorption cross section of plutonium and the inability to grow the large single crystals (with dimensions of a few millimeters) necessary for inelastic neutron scattering. Theoretical simulations of the Pu PDC continue to be hampered by the lack of suitable inter -atomic potentials. Thus, until recently the PDCs for Pu and its alloys have remained unknown experimentally and theoretically. The experimental limitations have recently been overcome by using a tightly focused undulator x-ray micro-beam scattered from single -grain domains in polycrystalline specimens. This experimental approach has been applied successfully to map the complete PDCs of an fcc d-Pu-Ga alloy using the high resolution inelastic x-ray scattering (HRIXS

  17. Probing phonons in plutonium

    Energy Technology Data Exchange (ETDEWEB)

    Wong, Joe; Krisch, M.; Farber, D.; Occelli, F.; Schwartz, A.; Chiang, T.C.; Wall, M.; Boro, C.; Xu, Ruqing (UIUC); (LLNL); (ESRF); (LANL)

    2010-11-16

    Plutonium (Pu) is well known to have complex and unique physico-chemical properties. Notably, the pure metal exhibits six solid-state phase transformations with large volume expansions and contractions along the way to the liquid state: {alpha} {yields} {beta} {yields} {gamma} {yields} {delta} {yields} {delta}{prime} {yields} {var_epsilon} {yields} liquid. Unalloyed Pu melts at a relatively low temperature {approx}640 C to yield a higher density liquid than that of the solid from which it melts, (Figure 1). Detailed understanding of the properties of plutonium and plutonium-based alloys is critical for the safe handling, utilization, and long-term storage of these important, but highly toxic materials. However, both technical and and safety issues have made experimental observations extremely difficult. Phonon dispersion curves (PDCs) are key experimenta l data to the understanding of the basic properties of Pu materials such as: force constants, sound velocities, elastic constants, thermodynamics, phase stability, electron-phonon coupling, structural relaxation, etc. However, phonon dispersion curves (PDCs) in plutonium (Pu) and its alloys have defied measurement for the past few decades since the discovery of this element in 1941. This is due to a combination of the high thermal-neutron absorption cross section of plutonium and the inability to grow the large single crystals (with dimensions of a few millimeters) necessary for inelastic neutron scattering. Theoretical simulations of the Pu PDC continue to be hampered by the lack of suitable inter -atomic potentials. Thus, until recently the PDCs for Pu and its alloys have remained unknown experimentally and theoretically. The experimental limitations have recently been overcome by using a tightly focused undulator x-ray micro-beam scattered from single -grain domains in polycrystalline specimens. This experimental approach has been applied successfully to map the complete PDCs of an fcc d-Pu-Ga alloy using the

  18. Dispersive surface waves along partially saturated porous media

    NARCIS (Netherlands)

    Chao, G.; Smeulders, D.M.J.; Van Dongen, M.E.H.

    2006-01-01

    Numerical results for the velocity and attenuation of surface wave modes in fully permeable liquid/partially saturated porous solid plane interfaces are reported in a broadband of frequencies (100?Hz–1?MHz). A modified Biot theory of poromechanics is implemented which takes into account the

  19. Wave-equation dispersion inversion of surface waves recorded on irregular topography

    KAUST Repository

    Li, Jing

    2017-08-17

    Significant topographic variations will strongly influence the amplitudes and phases of propagating surface waves. Such effects should be taken into account, otherwise the S-velocity model inverted from the Rayleigh dispersion curves will contain significant inaccuracies. We now show that the recently developed wave-equation dispersion inversion (WD) method naturally takes into account the effects of topography to give accurate S-velocity tomograms. Application of topographic WD to demonstrates that WD can accurately invert dispersion curves from seismic data recorded over variable topography. We also apply this method to field data recorded on the crest of mountainous terrain and find with higher resolution than the standard WD tomogram.

  20. Hypersonic phononic crystals.

    Science.gov (United States)

    Gorishnyy, T; Ullal, C K; Maldovan, M; Fytas, G; Thomas, E L

    2005-03-25

    In this Letter we propose the use of hypersonic phononic crystals to control the emission and propagation of high frequency phonons. We report the fabrication of high quality, single crystalline hypersonic crystals using interference lithography and show that direct measurement of their phononic band structure is possible with Brillouin light scattering. Numerical calculations are employed to explain the nature of the observed propagation modes. This work lays the foundation for experimental studies of hypersonic crystals and, more generally, phonon-dependent processes in nanostructures.

  1. Dispersion states and surface characteristics of physically blended polyhedral oligomeric silsesquioxane/polymer hybrid nanocomposites

    Science.gov (United States)

    Misra, Rahul

    Control of dispersion and segregation states of nanostructured additives is one of the biggest challenges in realizing the optimum potential of high performance hybrid polymer nanocomposites. Polyhedral oligomeric silsesquioxane (POSS) nanostructured chemicals, with their hybrid organic-inorganic nature and flexible functionalization with a variety of organic substituents, yield possibilities to control dispersion and tune compatibility in a wide range of polymer systems. The overall goal of this research is to investigate the fundamental parameters that influence the dispersion and segregation states of POSS nanostructured chemicals, and to understand chain dynamics and conformations in physically blended POSS hybrid polymer nanocomposites (HPNC's). Multiple structural and mechanical factors influencing macro to nano scale surface and bulk properties were successfully investigated and correlated. A strategy based on thermodynamic principles for selective control of POSS dispersion states in a given polymer matrix is developed and discussed. This dissertation consists of eight chapters. Chapter 1 provides a detailed introduction about the development and current research interest in POSS/polymer nanocomposites. This chapter also discusses limitations of current advanced nanoprobe techniques. Chapter 2 establishes the overall goal of this research and specific research ii objectives. Chapter 3 establishes the preferential surface migration behavior of physically dispersed, non-reactive, closed cage octaisobutyl POSS (Oib-POSS) in a non-polar polypropylene matrix. Furthermore, influence of POSS surface segregation on the surface properties, especially nano-tribomechanical behavior is also discussed. Chapter 4 expands the studies by melt blending two different types of POSS molecules, a non-reactive, closed cage Oib-POSS and an open cage trisilanolphenyl POSS (Tsp-POSS), in a nylon 6 matrix. This chapter discusses the morphology, nano-dispersion and macro- to

  2. Coating and dispersion of ceramic nanoparticles by UV-ozone etching assisted surface-initiated living radical polymerization.

    Science.gov (United States)

    Arita, Toshihiko

    2010-10-01

    Commercially available unmodified ceramic nanoparticles (NPs) in dry powder state were surface-modified and dispersed in almost single-crystal size. The surface-initiated living radical polymerization after just UV-ozone soft etching enables one to graft polymers onto the surface of ceramic NPs and disperse them in solvents. Furthermore, a number of NPs were dispersed with single-crystal sizes. The technique developed here could be applied to almost all ceramic NPs including metal nitrides.

  3. Sensing coherent phonons with two-photon interference

    Science.gov (United States)

    Ding, Ding; Yin, Xiaobo; Li, Baowen

    2018-02-01

    Detecting coherent phonons pose different challenges compared to coherent photons due to the much stronger interaction between phonons and matter. This is especially true for high frequency heat carrying phonons, which are intrinsic lattice vibrations experiencing many decoherence events with the environment, and are thus generally assumed to be incoherent. Two photon interference techniques, especially coherent population trapping (CPT) and electromagnetically induced transparency (EIT), have led to extremely sensitive detection, spectroscopy and metrology. Here, we propose the use of two photon interference in a three-level system to sense coherent phonons. Unlike prior works which have treated phonon coupling as damping, we account for coherent phonon coupling using a full quantum-mechanical treatment. We observe strong asymmetry in absorption spectrum in CPT and negative dispersion in EIT susceptibility in the presence of coherent phonon coupling which cannot be accounted for if only pure phonon damping is considered. Our proposal has application in sensing heat carrying coherent phonons effects and understanding coherent bosonic multi-pathway interference effects in three coupled oscillator systems.

  4. Stability of nano-metric colloidal dispersions of titanium: effect of surface complexation

    International Nuclear Information System (INIS)

    Peyre, Veronique

    1996-01-01

    This research thesis reports the study of the adsorption of small organic molecules at the surface of nano-particles of mineral oxides (zirconia), and of its effects on the stability of the colloidal dispersion. Adsorption has been quantified by adsorption isotherms and surface titrations. Processes and mechanisms are thus discussed with respect to pH. The influence of various protecting molecules (acetyl acetone, but also acetic acid, citric acid and diethanolamine) has been studied, and notably highlighted the role of the outer face of the complexing agent in the assessment of reactions between particles which govern the compression and re-dispersability properties of protected dispersions. This study is performed by osmotic pressure measurements and by X-ray diffusion at small angles, completed by statistical mechanics calculations [fr

  5. Characterization of size, surface charge, and agglomeration state of nanoparticle dispersions for toxicological studies

    International Nuclear Information System (INIS)

    Jiang Jingkun; Oberdoerster, Guenter; Biswas, Pratim

    2009-01-01

    Characterizing the state of nanoparticles (such as size, surface charge, and degree of agglomeration) in aqueous suspensions and understanding the parameters that affect this state are imperative for toxicity investigations. In this study, the role of important factors such as solution ionic strength, pH, and particle surface chemistry that control nanoparticle dispersion was examined. The size and zeta potential of four TiO 2 and three quantum dot samples dispersed in different solutions (including one physiological medium) were characterized. For 15 nm TiO 2 dispersions, the increase of ionic strength from 0.001 M to 0.1 M led to a 50-fold increase in the hydrodynamic diameter, and the variation of pH resulted in significant change of particle surface charge and the hydrodynamic size. It was shown that both adsorbing multiply charged ions (e.g., pyrophosphate ions) onto the TiO 2 nanoparticle surface and coating quantum dot nanocrystals with polymers (e.g., polyethylene glycol) suppressed agglomeration and stabilized the dispersions. DLVO theory was used to qualitatively understand nanoparticle dispersion stability. A methodology using different ultrasonication techniques (bath and probe) was developed to distinguish agglomerates from aggregates (strong bonds), and to estimate the extent of particle agglomeration. Probe ultrasonication performed better than bath ultrasonication in dispersing TiO 2 agglomerates when the stabilizing agent sodium pyrophosphate was used. Commercially available Degussa P25 and in-house synthesized TiO 2 nanoparticles were used to demonstrate identification of aggregated and agglomerated samples.

  6. Re-dispersion of alumina particles in water: influence of the surface state

    International Nuclear Information System (INIS)

    Desset, Sabine

    1999-01-01

    The aim of this work was to determine the mechanisms by which suspensions of alpha alumina particles may be dried and then re-dispersed spontaneously in water. To get reproducible results, we designed appropriate protocols: (i) for preparing the surface state, and for generating controlled interparticle contacts (presence of water or complexing agents); (ii) for measuring the amount of re-dispersed material with a proper averaging over all interparticle bonds (turbidity). These results show that there are thresholds, determined by the conditions of drying and re-dispersion, where all the powder goes from the aggregated state to the dispersed state. With hydrated powders, it was found that mild changes in the chemical conditions (pH) and application of very weak mechanical forces (sedimentation) were enough to cause significant change in re-dispersion. According to these thresholds, a re-dispersion mechanism could be identified. Re-dispersion is ruled, indeed, by a balance of forces and the displacement of the re-dispersion thresholds indicates a shift in the balance of forces. These forces are the well-known forces that control colloidal stability: van der Waals attraction, electrostatic repulsion and hydration forces. We found that hydration acts as a repulsive wall corresponding to one or two monolayers of water on each surface and depends on the Relative Humidity of drying. We also found that electrostatic repulsions at short separations are much weaker than the predictions based on the Poisson Boltzmann equation, but should be modelled according to the triple layer model. Repulsions to be considered are those calculated with the screened charges of the particles. Another aim of this work was to facilitate re-dispersion by using complexing agents that bind to the surfaces and add a steric repulsion We have found that molecules with carboxylic and hydroxyl groups can be efficient in this respect, if they are bound to surfaces before aggregation, if they are not

  7. Re-dispersion of alumina particles in water: influence of the surface state

    International Nuclear Information System (INIS)

    Desset, Sabine

    1999-01-01

    The aim of this work was to determine the mechanisms by which suspensions of alpha alumina particles may be dried and then re-dispersed spontaneously in water. To get reproducible results, we designed appropriate protocols: (i) for preparing the surface state, and for generating controlled interparticle contacts (presence of water or complexing agents); (ii) for measuring the amount of re-dispersed material with a proper averaging over all interparticle bonds (turbidity). These results show that there are thresholds, determined by the conditions of drying and re-dispersion, where all the powder goes from the aggregated state to the dispersed state. With hydrated powders, it was found that mild changes in the chemical conditions (pH) and application of very weak mechanical forces (sedimentation) were enough to cause significant change in re-dispersion. According to these thresholds, a re-dispersion mechanism could be identified. Re-dispersion is ruled, indeed, by a balance of forces and the displacement of the re-dispersion thresholds indicates a shift in the balance of forces. These forces are the well known forces that control colloidal stability: van der Waals attraction, electrostatic repulsion and hydration forces. We found that hydration acts as a repulsive wall corresponding to one or two monolayers of water on each surface and depends on the Relative Humidity of drying. We also found that electrostatic repulsions at short separations are much weaker than the predictions based on the Poisson Boltzmann equation, but should be modelled according to the triple layer model. Repulsions to be considered are those calculated with the screened charges of the particles. Another aim of this work was to facilitate re-dispersion by using complexing agents that bind to the surfaces and add a steric repulsion We have found that molecules with carboxylic and hydroxyl groups can be efficient in this respect, if they are bound to surfaces before aggregation, if they are not

  8. Dispersing surface-modified imogolite nanotubes in polar and non-polar solvents

    Science.gov (United States)

    Li, Ming; Brant, Jonathan A.

    2018-02-01

    Furthering the development of nanocomposite structures, namely membranes for water treatment applications, requires that methods be developed to ensure nanoparticle dispersion in polar and non-polar solvents, as both are widely used in associated synthesis techniques. Here, we report on a two-step method to graft polyvinylpyrrolidone (PVP), and a one-step method for octadecylphosphonic acid (OPA), onto the outer surfaces of imogolite nanotubes. The goal of these approaches was to improve and maintain nanotube dispersion in polymer compatible polar and non-polar solvents. The PVP coating modified the imogolite surface charge from positive to weakly negative at pH ≤ 9; the OPA made it weakly positive at acidic pH values to negative at pH ≥ 7. The PVP surface coating stabilized the nanotubes through steric hindrance in polar protic, dipolar aprotic, and chloroform. In difference to the PVP, the OPA surface coating allowed the nanotubes to be dispersed in n-hexane and chloroform, but not in the polar solvents. The lack of miscibility in the polar solvents, as well as the better dispersion in n-hexane, was attributed to the stronger hydrophobicity of the OPA polymer relative to the PVP. [Figure not available: see fulltext.

  9. Spatially-dispersive surface modes on interfaces of layered hyperbolic metamaterials

    DEFF Research Database (Denmark)

    Popov, Vladislav; Novitsky, Andrey

    2017-01-01

    In this work we present the study of influence of spatial dispersion on the existence of surface modes on the interfaces with multilayered hyperbolic metamaterials (HMMs). To that end we employ operator effective medium approximation correcting the Maxwell Garnett approximation. We find out...

  10. The upper mantle beneath the Gulf of California from surface wave dispersion. Geologica Ultraiectina (299)

    NARCIS (Netherlands)

    Zhang, X.

    2009-01-01

    This thesis is a study on upper mantle shear velocity structure beneath the Gulf of California. Surface wave interstation dispersion data were measured in the Gulf of California area and vicinity to obtain a 3-D shear velocity structure of the upper mantle. This work has particular significance for

  11. Impacts on surface productivity during sediment dispersal experiment in Central Indian Basin

    Digital Repository Service at National Institute of Oceanography (India)

    LokaBharathi, P.A.; Nath, B.N.; Ingole, B.S.; Parthiban, G.; Matondkar, S.G.P.; Raghukumar, C.; Khadge, N.H.; Valsangkar, A.B.; Suryanarayana, A.; Jaisankar, S.; Sharma, R.

    conditions at the point of discharge thus altering the regimes of productivity in the water column. In order to assess the effects of deep sea sediment discharge on the oceanic surface water-layers (0-50M) after nodule mining, a Sediment Dispersal Experiment...

  12. Correlation of Effective Dispersive and Polar Surface Energies in Heterogeneous Self-Assembled Monolayer Coatings

    DEFF Research Database (Denmark)

    Zhuang, Yanxin; Hansen, Ole

    2009-01-01

    grown oil oxidized (100) silicon Surfaces in a vapor phase process using five different precursors. Experimentally, effective surface energy components of the fluorocarbon self-assembled monolayers were determined from measured contact angles using the Owens-Wendt-Rabel-Kaelble method. We show......We show, theoretically, that the measured effective dispersive and polar surface energies of a heterogeneous Surface are correlated; the correlation, however, differs whether a Cassic or an Israelachvili and Gee model is assumed. Fluorocarbon self-assembled monolayers with varying coverage were...

  13. Surface dispersive energy determined with IGC-ID in anti-graffiti-coated building materials

    OpenAIRE

    Carmona-Quiroga, Paula María; Rubio, J.; Sánchez, M. Jesús; Martínez-Ramírez, S.; Blanco-Varela, María Teresa

    2011-01-01

    Coating building materials with anti-graffiti treatments hinders or prevents spray paint adherence by generating low energy surfaces. This paper describes the effect of coating cement paste, lime mortar, granite, limestone and brick with two anti-graffiti agents (a water-base fluoroalkylsiloxane, “Protectosil Antigraffiti®”, and a Zr ormosil) on the dispersive component of the surface energy of these five construction materials. The agents were rediluted in their respective solvents at concen...

  14. Surface plasmon polaritons in a semi-bounded degenerate plasma: Role of spatial dispersion and collisions

    International Nuclear Information System (INIS)

    Tyshetskiy, Yu.; Kompaneets, R.; Vladimirov, S. V.

    2012-01-01

    Surface plasmon polaritons (SPPs) in a semi-bounded degenerate plasma (e.g., a metal) are studied using the quasiclassical mean-field kinetic model, taking into account the spatial dispersion of the plasma (due to quantum degeneracy of electrons) and electron-ion (electron-lattice, for metals) collisions. SPP dispersion and damping are obtained in both retarded (ω/k z ∼c) and non-retarded (ω/k z ≪c) regions, as well as in between. It is shown that the plasma spatial dispersion significantly affects the properties of SPPs, especially at short wavelengths (less than the collisionless skin depth, λ ≲ c/ω pe ). Namely, the collisionless (Landau) damping of SPPs (due to spatial dispersion) is comparable to the purely collisional (Ohmic) damping (due to electron-lattice collisions) in a wide range of SPP wavelengths, e.g., from λ∼20 nm to λ∼0.8 nm for SPP in gold at T = 293 K and from λ∼400 nm to λ∼0.7 nm for SPPs in gold at T = 100 K. The spatial dispersion is also shown to affect, in a qualitative way, the dispersion of SPPs at short wavelengths λ ≲ c/ω pe .

  15. Phonon optimized interatomic potential for aluminum

    Science.gov (United States)

    Muraleedharan, Murali Gopal; Rohskopf, Andrew; Yang, Vigor; Henry, Asegun

    2017-12-01

    We address the problem of generating a phonon optimized interatomic potential (POP) for aluminum. The POP methodology, which has already been shown to work for semiconductors such as silicon and germanium, uses an evolutionary strategy based on a genetic algorithm (GA) to optimize the free parameters in an empirical interatomic potential (EIP). For aluminum, we used the Vashishta functional form. The training data set was generated ab initio, consisting of forces, energy vs. volume, stresses, and harmonic and cubic force constants obtained from density functional theory (DFT) calculations. Existing potentials for aluminum, such as the embedded atom method (EAM) and charge-optimized many-body (COMB3) potential, show larger errors when the EIP forces are compared with those predicted by DFT, and thus they are not particularly well suited for reproducing phonon properties. Using a comprehensive Vashishta functional form, which involves short and long-ranged interactions, as well as three-body terms, we were able to better capture interactions that reproduce phonon properties accurately. Furthermore, the Vashishta potential is flexible enough to be extended to Al2O3 and the interface between Al-Al2O3, which is technologically important for combustion of solid Al nano powders. The POP developed here is tested for accuracy by comparing phonon thermal conductivity accumulation plots, density of states, and dispersion relations with DFT results. It is shown to perform well in molecular dynamics (MD) simulations as well, where the phonon thermal conductivity is calculated via the Green-Kubo relation. The results are within 10% of the values obtained by solving the Boltzmann transport equation (BTE), employing Fermi's Golden Rule to predict the phonon-phonon relaxation times.

  16. Phonon optimized interatomic potential for aluminum

    Directory of Open Access Journals (Sweden)

    Murali Gopal Muraleedharan

    2017-12-01

    Full Text Available We address the problem of generating a phonon optimized interatomic potential (POP for aluminum. The POP methodology, which has already been shown to work for semiconductors such as silicon and germanium, uses an evolutionary strategy based on a genetic algorithm (GA to optimize the free parameters in an empirical interatomic potential (EIP. For aluminum, we used the Vashishta functional form. The training data set was generated ab initio, consisting of forces, energy vs. volume, stresses, and harmonic and cubic force constants obtained from density functional theory (DFT calculations. Existing potentials for aluminum, such as the embedded atom method (EAM and charge-optimized many-body (COMB3 potential, show larger errors when the EIP forces are compared with those predicted by DFT, and thus they are not particularly well suited for reproducing phonon properties. Using a comprehensive Vashishta functional form, which involves short and long-ranged interactions, as well as three-body terms, we were able to better capture interactions that reproduce phonon properties accurately. Furthermore, the Vashishta potential is flexible enough to be extended to Al2O3 and the interface between Al-Al2O3, which is technologically important for combustion of solid Al nano powders. The POP developed here is tested for accuracy by comparing phonon thermal conductivity accumulation plots, density of states, and dispersion relations with DFT results. It is shown to perform well in molecular dynamics (MD simulations as well, where the phonon thermal conductivity is calculated via the Green-Kubo relation. The results are within 10% of the values obtained by solving the Boltzmann transport equation (BTE, employing Fermi’s Golden Rule to predict the phonon-phonon relaxation times.

  17. Effects of various surfactants on the dispersion stability and electrical conductivity of surface modified graphene

    Energy Technology Data Exchange (ETDEWEB)

    Uddin, Md. Elias [WCU Program, Department of BIN Fusion Technology, Chonbuk National University, Jeonju, Jeonbuk 561-756 (Korea, Republic of); Kuila, Tapas [Surface Engineering and Tribology, CSIR – Central Mechanical Engineering Research Institute, Durgapur 721 302 (India); Nayak, Ganesh Chandra [Department of Applied Chemistry, ISM Dhanbad, Dhanbad 826 004, Jharkhand (India); Kim, Nam Hoon [Department of Hydrogen and Fuel Cell Engineering, Chonbuk National University, Jeonju, Jeonbuk 561-756 (Korea, Republic of); Ku, Bon-Cheol [Institute of Advanced Composite Materials, Korea Institute of Science and Technology, Dunsan-ri, Bongdong-eup, Wanju-gun, Jeollabuk-do 864-9 (Korea, Republic of); Lee, Joong Hee, E-mail: jhl@chonbuk.ac.kr [WCU Program, Department of BIN Fusion Technology, Chonbuk National University, Jeonju, Jeonbuk 561-756 (Korea, Republic of); Department of Hydrogen and Fuel Cell Engineering, Chonbuk National University, Jeonju, Jeonbuk 561-756 (Korea, Republic of)

    2013-06-15

    Highlights: ► Water dispersible graphene has been prepared using ionic and non-ionic surfactants. ► XPS and FTIR spectra analysis confirm surface modification and reduction of GO. ► The highest water dispersibility is observed in the graphene modified with of SDBS. ► The best properties of modified graphene is achieved with GO/surfactant ratio of two. -- Abstract: Ionic and non-ionic surfactant functionalized, water dispersible graphene were prepared to investigate the effects on the dispersion stability and electrical conductivity of graphene. In this study, sodium dodecyl benzene sulfonate (SDBS), sodium dodecyl sulfate and 4-(1,1,3,3-tetramethylbutyl) phenyl-polyethylene glycol (Triton X-100) were used as ionic and non-ionic surfactants. The effects of surfactant concentrations on the dispersibility and electrical conductivity of the surface modified graphene were investigated. The dispersion stability of SDBS functionalized graphene (SDBS-G) was found to be best in water at 1.5 mg ml{sup −1}. X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy analysis indicate that the presence of surfactants does not prevent the reduction of graphene oxide (GO). These measurements also demonstrated that the surfactants were present on the surface of graphene, resulting in the formation of functionalized graphene. The thickness of different functionalized graphene was measured by Atomic force microscopy and varied significantly with different surfactants. The thermal properties of the functionalized graphene were also found to be dependent on the nature of the surfactants. The electrical conductivity of SDBS-G (108 S m{sup −1}) was comparatively higher than SDS and Triton X-100 functionalized graphene.

  18. Effects of various surfactants on the dispersion stability and electrical conductivity of surface modified graphene

    International Nuclear Information System (INIS)

    Uddin, Md. Elias; Kuila, Tapas; Nayak, Ganesh Chandra; Kim, Nam Hoon; Ku, Bon-Cheol; Lee, Joong Hee

    2013-01-01

    Highlights: ► Water dispersible graphene has been prepared using ionic and non-ionic surfactants. ► XPS and FTIR spectra analysis confirm surface modification and reduction of GO. ► The highest water dispersibility is observed in the graphene modified with of SDBS. ► The best properties of modified graphene is achieved with GO/surfactant ratio of two. -- Abstract: Ionic and non-ionic surfactant functionalized, water dispersible graphene were prepared to investigate the effects on the dispersion stability and electrical conductivity of graphene. In this study, sodium dodecyl benzene sulfonate (SDBS), sodium dodecyl sulfate and 4-(1,1,3,3-tetramethylbutyl) phenyl-polyethylene glycol (Triton X-100) were used as ionic and non-ionic surfactants. The effects of surfactant concentrations on the dispersibility and electrical conductivity of the surface modified graphene were investigated. The dispersion stability of SDBS functionalized graphene (SDBS-G) was found to be best in water at 1.5 mg ml −1 . X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy analysis indicate that the presence of surfactants does not prevent the reduction of graphene oxide (GO). These measurements also demonstrated that the surfactants were present on the surface of graphene, resulting in the formation of functionalized graphene. The thickness of different functionalized graphene was measured by Atomic force microscopy and varied significantly with different surfactants. The thermal properties of the functionalized graphene were also found to be dependent on the nature of the surfactants. The electrical conductivity of SDBS-G (108 S m −1 ) was comparatively higher than SDS and Triton X-100 functionalized graphene

  19. Thermal transport in phononic crystals: The role of zone folding effect

    Science.gov (United States)

    Dechaumphai, Edward; Chen, Renkun

    2012-04-01

    Recent experiments [Yu et al., Nature Nanotech 5, 718 (2010); Tang et al., Nano Lett. 10, 4279 (2010); Hopkins etal., Nano Lett. 11, 107(2011)] on silicon based nanoscale phononic crystals demonstrated substantially reduced thermal conductivity compared to bulk Si, which cannot be explained by incoherent phonon boundary scattering within the Boltzmann Transport Equation (BTE). In this paper, partial coherent treatment of phonons, where phonons are regarded as either wave or particles depending on their frequencies, was considered. Phonons with mean free path smaller than the characteristic size of phononic crystals are treated as particles and the transport in this regime is modeled by BTE with phonon boundary scattering taken into account. On the other hand, phonons with mean free path longer than the characteristic size are treated as waves. In this regime, phonon dispersion relations are computed using the Finite Difference Time Domain (FDTD) method and are found to be modified due to the zone folding effect. The new phonon spectra are then used to compute phonon group velocity and density of states for thermal conductivity modeling. Our partial coherent model agrees well with the recent experimental results on in-plane thermal conductivity of phononic crystals. Our study highlights the importance of zone folding effect on thermal transport in phononic crystals.

  20. Surface Modification Reaction of Photocatalytic Titanium Dioxide with Triethoxysilane for Improving Dispersibility

    International Nuclear Information System (INIS)

    Lee, Myung Jin; Kim, Ji Ho; Park, Young Tae

    2010-01-01

    We have carried out the surface modification of photocatalytic TiO 2 with triethoxysilane through dehydrogenation reaction and characterized the modified photocatalyst by spectroscopic methods, such as FT-IR, solid-state 29 Si MAS NMR, XPS, and XRF, etc. We also examined photocatalytic activity of the immobilized photocatalytic titanium dioxide with triethoxysilane by decolorization reaction of dyes such as cong red and methylene blue under visible light. Dispersion test showed that the photocatalytic titanium dioxide immobilized with triethoxysilane group has kept higher dispersibility than titanium dioxide itself. No appreciable precipitation takes place even after standing for 24 h in the 4:6 mixture ratio of ethanol and water

  1. Surface treatment to form a dispersed Y2O3 layer on Zircaloy-4 tubes

    Science.gov (United States)

    Jung, Yang-Il; Kim, Hyun-Gil; Guim, Hwan-Uk; Lim, Yoon-Soo; Park, Jung-Hwan; Park, Dong-Jun; Yang, Jae-Ho

    2018-01-01

    Zircaloy-4 is a traditional zirconium-based alloy developed for application in nuclear fuel cladding tubes. The surfaces of Zircaloy-4 tubes were treated using a laser beam to increase their mechanical strength. Laser beam scanning of a tube coated with yttrium oxide (Y2O3) resulted in the formation of a dispersed oxide layer in the tube's surface region. Y2O3 particles penetrated the Zircaloy-4 during the laser treatment and were distributed uniformly in the surface region. The thickness of the dispersed oxide layer varied from 50 to 140 μm depending on the laser beam trajectory. The laser treatment also modified the texture of the tube. The preferred basal orientation along the normal to the tube surface disappeared, and a random structure appeared after laser processing. The most obvious result was an increase in the mechanical strength. The tensile strength of Zircaloy-4 increased by 10-20% with the formation of the dispersed oxide layer. The compressive yield stress also increased, by more than 15%. Brittle fracture was observed in the surface-treated samples during tensile and compressive deformation at room temperature; however, the fracture behavior was changed in ductile at elevated temperatures.

  2. Comparison of three empirical force fields for phonon calculations in CdSe quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Kelley, Anne Myers [Chemistry and Chemical Biology, University of California, Merced, 5200 North Lake Road, Merced, California 95343 (United States)

    2016-06-07

    Three empirical interatomic force fields are parametrized using structural, elastic, and phonon dispersion data for bulk CdSe and their predictions are then compared for the structures and phonons of CdSe quantum dots having average diameters of ~2.8 and ~5.2 nm (~410 and ~2630 atoms, respectively). The three force fields include one that contains only two-body interactions (Lennard-Jones plus Coulomb), a Tersoff-type force field that contains both two-body and three-body interactions but no Coulombic terms, and a Stillinger-Weber type force field that contains Coulombic interactions plus two-body and three-body terms. While all three force fields predict nearly identical peak frequencies for the strongly Raman-active “longitudinal optical” phonon in the quantum dots, the predictions for the width of the Raman peak, the peak frequency and width of the infrared absorption peak, and the degree of disorder in the structure are very different. The three force fields also give very different predictions for the variation in phonon frequency with radial position (core versus surface). The Stillinger-Weber plus Coulomb type force field gives the best overall agreement with available experimental data.

  3. Polarization dependent behavior of CdS around the first and second LO-phonon modes

    Energy Technology Data Exchange (ETDEWEB)

    Frausto-Reyes, C., E-mail: cfraus@cio.mx [Centro de Investigaciones en Optica AC, Unidad Aguascalientes, Prolong., Constitucion 607, Fracc. Reserva Loma Bonita, CP 20200, Apartado Postal 507, Ags. (Mexico); Molina-Contreras, J.R., E-mail: rmolina@correo.ita.mx [Departamento de Ingenieria Electrica y Electronica, Instituto Tecnologico de Aguascalientes, Av. Lopez Mateos 1081 Oriente, Fracc. Bonna Gens, CP 20256, Aguascalientes, Ags. (Mexico); Lopez-Alvarez, Y.F. [Departamento de Ingenieria Electrica y Electronica, Instituto Tecnologico de Aguascalientes, Av. Lopez Mateos 1081 Oriente, Fracc. Bonna Gens, CP 20256, Aguascalientes, Ags. (Mexico); Medel-Ruiz, C.I.; Perez Ladron de Guevara, H. [Universidad de Guadalajara, Centro Universitario de los Lagos, Av. Enrique Diaz de Leon s/n, Fracc. Paseos de la Montana, CP 47460, Lagos de Moreno, Jal. (Mexico); Ortiz-Morales, M. [Centro de Investigaciones en Optica AC, Unidad Aguascalientes, Prolong., Constitucion 607, Fracc. Reserva Loma Bonita, CP 20200, Apartado Postal 507, Ags. (Mexico)

    2010-10-25

    The present work report studies on resonant Raman experimental line shape for CdS around the first and second LO-phonon modes. The application of our method to the study of LO-phonon modes of CdS suggests that the scattered intensity is dominated by the surface and dependent on polarization. Results showed that the Raman spectra for CdS, roughly fall into three groups: a broad line-wing with apparent maxima around 194 cm{sup -1} in the range of 140 and 240 cm{sup -1} which can be ascribed to overtone scattering from acoustic phonons; a band near the 1LO phonon mode which can be attributed to a combination of one-phonon scattering and peak acoustic phonon and finally, a band near the 2LO phonon mode which can be attributed to a combination of two-phonon scattering and peak acoustic phonon.

  4. Dispersive and Covalent Interactions between Graphene and Metal Surfaces from the Random Phase Approximation

    DEFF Research Database (Denmark)

    Olsen, Thomas; Yan, Jun; Mortensen, Jens Jørgen

    2011-01-01

    We calculate the potential energy surfaces for graphene adsorbed on Cu(111), Ni(111), and Co(0001) using density functional theory and the random phase approximation (RPA). For these adsorption systems covalent and dispersive interactions are equally important and while commonly used approximations...... for exchange-correlation functionals give inadequate descriptions of either van der Waals or chemical bonds, RPA accounts accurately for both. It is found that the adsorption is a delicate competition between a weak chemisorption minimum close to the surface and a physisorption minimum further from the surface....

  5. Electron-acoustic-phonon interaction in core/shell Ge/Si and Si/Ge nanowires

    Science.gov (United States)

    Santiago-Pérez, Darío G.; Trallero-Giner, C.; Marques, G. E.

    2017-04-01

    General expressions for the electron- and hole-acoustic-phonon deformation potential Hamiltonians (HE-DP) are derived for the case of Ge/Si and Si/Ge core/shell nanowire structures (NWs) with circular cross section. Based on the short-range elastic continuum approach and on derived analytical results, the spatial confinement effects on the phonon displacement vector, the phonon dispersion relation and the electron- and hole-phonon scattering amplitudes are analyzed. It is shown that the acoustic displacement vector, phonon frequencies and HE-DP present mixed torsional, axial, and radial components depending on the angular momentum quantum number and phonon wave vector under consideration. The treatment shows that bulk group velocities of the constituent materials are renormalized due to the spatial confinement and intrinsic strain at the interface. The role of insulating shell on the phonon dispersion and electron-phonon coupling in Ge/Si and Si/Ge NWs are discussed.

  6. Acoustic phonons in the hexagonal perovskite CsNiCl3 around the Gamma-point

    DEFF Research Database (Denmark)

    Visser, D.; Monteith, A.R.; Rønnow, H.M.

    2000-01-01

    The acoustic phonon dispersion curves of the hexagonal perovskite CsNiCl3 were measured at room temperature in the vicinity of the Gamma-point along the [0 0 1] and [1 1 0] directions. The derived velocity of sound values for the longitudinal and transverse acoustic phonons are compared with the ......The acoustic phonon dispersion curves of the hexagonal perovskite CsNiCl3 were measured at room temperature in the vicinity of the Gamma-point along the [0 0 1] and [1 1 0] directions. The derived velocity of sound values for the longitudinal and transverse acoustic phonons are compared...

  7. Sound and dissipation coefficients in the phonon-impurity system of 3He-4He solutions

    International Nuclear Information System (INIS)

    Adamenko, I.N.; Rudavskii, E.Y.; Tsyganok, V.I.; Chagovets, V.K.

    1988-01-01

    The phonon-impurity system of dilute solutions of 3 He in 4 He is studied experimentally and theoretically using an acoustic technique. The sound velocity and absorption measurements make it possible to identify the theoretically predicted new mechanism of phonon relaxation with anomalous dispersion in the presence of impurities. A kinetic problem for arbitrary frequencies is solved, which also enables the authors to obtain all the dissipation coefficients of the solutions and to explain the experimental data on second-sound absorption, thermal conductivity, and heat pulse propagation. The relation is considered between relaxation processes in a phonon-impurity system and the phonon spectrum dispersion in 3 He- 4 solutions

  8. Effect of strontium tantalate surface texture on nickel nanoparticle dispersion by electroless deposition

    Energy Technology Data Exchange (ETDEWEB)

    Compean-González, C.L. [Universidad Autónoma de Nuevo León, Facultad de Ingeniería Civil, Departamento de Ecomateriales y Energía, Av. Universidad s/n, Ciudad Universitaria, San Nicolás de los Garza, Nuevo León C.P. 66451 (Mexico); Arredondo-Torres, V.M. [Facultad de Químico Farmacobiología, Universidad Michoacana de San Nicolás de Hidalgo, Tzintzuntzan #173, Col. Matamoros, Morelia, Michoacán C.P. 58240 (Mexico); Zarazúa-Morin, M.E. [Universidad Autónoma de Nuevo León, Facultad de Ingeniería Civil, Departamento de Ecomateriales y Energía, Av. Universidad s/n, Ciudad Universitaria, San Nicolás de los Garza, Nuevo León C.P. 66451 (Mexico); Figueroa-Torres, M.Z., E-mail: m.zyzlila@gmail.com [Universidad Autónoma de Nuevo León, Facultad de Ingeniería Civil, Departamento de Ecomateriales y Energía, Av. Universidad s/n, Ciudad Universitaria, San Nicolás de los Garza, Nuevo León C.P. 66451 (Mexico)

    2015-09-15

    Highlights: • Efficient short-time procedure for nickel nanoparticles dispersion by electroless. • Nanoparticles are spherical in shape with an average size of 15 nm. • Influence of surface texture on deposition temperature and time was observed. • Nickel deposition can be done below 50 °C. - Abstract: The present work studies the effect of smooth and porous texture of Sr{sub 2}Ta{sub 2}O{sub 7} on its surface modification with nickel nanoparticles through electroless deposition technique. The influence of temperature to control Ni nanoparticles loading amount and dispersion were analyzed. Nitrogen adsorption isotherms were used to examine surface texture characteristics. The morphology was observed by scanning electron microscopy (MEB) equipped with an energy dispersive spectrometry system (EDS), which was used to determine the amount of deposited Ni. The material with smooth texture (SMT) consists of big agglomerates of semispherical shape particles of 400 nm. Whilst the porous texture (PRT) exhibit a pore-wall formed of needles shape particles of around 200 nm in size. Results indicated that texture characteristics strongly influence the deposition reaction rate; for PRT oxide, Ni deposition can be done from 20 °C while for SMT oxide deposition begins at 40 °C. Analysis of Sr{sub 2}Ta{sub 2}O{sub 7} surface indicated that in both textures, Ni nanoparticles with spherical shape in the range of 10–20 nm were obtained.

  9. Effect of strontium tantalate surface texture on nickel nanoparticle dispersion by electroless deposition

    International Nuclear Information System (INIS)

    Compean-González, C.L.; Arredondo-Torres, V.M.; Zarazúa-Morin, M.E.; Figueroa-Torres, M.Z.

    2015-01-01

    Highlights: • Efficient short-time procedure for nickel nanoparticles dispersion by electroless. • Nanoparticles are spherical in shape with an average size of 15 nm. • Influence of surface texture on deposition temperature and time was observed. • Nickel deposition can be done below 50 °C. - Abstract: The present work studies the effect of smooth and porous texture of Sr 2 Ta 2 O 7 on its surface modification with nickel nanoparticles through electroless deposition technique. The influence of temperature to control Ni nanoparticles loading amount and dispersion were analyzed. Nitrogen adsorption isotherms were used to examine surface texture characteristics. The morphology was observed by scanning electron microscopy (MEB) equipped with an energy dispersive spectrometry system (EDS), which was used to determine the amount of deposited Ni. The material with smooth texture (SMT) consists of big agglomerates of semispherical shape particles of 400 nm. Whilst the porous texture (PRT) exhibit a pore-wall formed of needles shape particles of around 200 nm in size. Results indicated that texture characteristics strongly influence the deposition reaction rate; for PRT oxide, Ni deposition can be done from 20 °C while for SMT oxide deposition begins at 40 °C. Analysis of Sr 2 Ta 2 O 7 surface indicated that in both textures, Ni nanoparticles with spherical shape in the range of 10–20 nm were obtained

  10. Properties of nanocones formed on a surface of semiconductors by laser radiation: quantum confinement effect of electrons, phonons, and excitons

    Directory of Open Access Journals (Sweden)

    Medvid Artur

    2011-01-01

    Full Text Available Abstract On the basis of the analysis of experimental results, a two-stage mechanism of nanocones formation on the irradiated surface of semiconductors by Nd:YAG laser is proposed for elementary semiconductors and solid solutions, such as Si, Ge, SiGe, and CdZnTe. Properties observed are explained in the frame of quantum confinement effect. The first stage of the mechanism is characterized by the formation of a thin strained top layer, due to redistribution of point defects in temperature-gradient field induced by laser radiation. The second stage is characterized by mechanical plastic deformation of the stained top layer leading to arising of nanocones, due to selective laser absorption of the top layer. The nanocones formed on the irradiated surface of semiconductors by Nd:YAG laser possessing the properties of 1D graded bandgap have been found for Si, Ge, and SiGe as well, however QD structure in CdTe was observed. The model is confirmed by "blue shift" of bands in photoluminescence spectrum, "red shift" of longitudinal optical line in Raman back scattering spectrum of Ge crystal, appearance of Ge phase in SiGe solid solution after irradiation by the laser at intensity 20 MW/cm2, and non-monotonous dependence of Si crystal micro-hardness as function of the laser intensity.

  11. Birefringent phononic structures

    Directory of Open Access Journals (Sweden)

    I. E. Psarobas

    2014-12-01

    Full Text Available Within the framework of elastic anisotropy, caused in a phononic crystal due to low crystallographic symmetry, we adopt a model structure, already introduced in the case of photonic metamaterials, and by analogy, we study the effect of birefringence and acoustical activity in a phononic crystal. In particular, we investigate its low-frequency behavior and comment on the factors which determine chirality by reference to this model.

  12. Supra-ballistic phonons

    International Nuclear Information System (INIS)

    Russell, F.M.

    1989-05-01

    Energetic particles moving with a solid, either from nuclear reactions or externally injected, deposit energy by inelastic scattering processes which eventually appears as thermal energy. If the transfer of energy occurs in a crystalline solid then it is possible to couple some of the energy directly to the nuclei forming the lattice by generating phonons. In this paper the transfer of energy from a compound excited nucleus to the lattice is examined by introducing a virtual particle Π. It is shown that by including a Π in the nuclear reaction a substantial amount of energy can be coupled directly to the lattice. In the lattice this particle behaves as a spatially localized phonon of high energy, the so-called supra-ballistic phonon. By multiple inelastic scattering the supra-ballistic phonon eventually thermalizes. Because both the virtual particle Π and the equivalent supra-ballistic phonon have no charge or spin and can only exist within a lattice it is difficult to detect other than by its decay into thermal phonons. The possibility of a Π removing excess energy from a compound nucleus formed by the cold fusion of deuterium is examined. (Author)

  13. Wet-etched phononic crystal waveguiding on GaAs

    Science.gov (United States)

    Muzar, Edward; Azodi Aval, Golnaz; Stotz, James A. H.

    2018-01-01

    A wet-etched phononic crystal waveguide in GaAs with approximately two micron deep inclusions is studied both numerically and experimentally for controlled surface acoustic wave propagation. Numerically, the phononic crystal was modelled using the finite element method (FEM) with COMSOL Multiphysics, and the surface displacement of the acoustic waves was measured using optical interferometry. The computed filter response of the phononic crystal confirmed that the phononic crystal was an effective stop band filter in the interval of 400 MHz and 450 MHz. An L1 linear defect waveguide with a stepped funnel entrance design is shown to perform well at a surface acoustic wave frequency of 410.344 MHz and in agreement to simulated results. The phononic crystal waveguide system shows promise for use in acoustic control of GaAs-based quantum nanostructures.

  14. Phonon frequency shift and effect of correlation on the electron ...

    Indian Academy of Sciences (India)

    P.G. Department of Physics, Sambalpur University, Jyoti Vihar, Burla 768 019, India. *. Institute of Physics ... observed magneto-elastic effect (coupling of phonon to thef-electrons), anisotropic Fermi surface, Kondo ... Considering the importance of the lanthanide contraction in these systems, the phonons are assumed to ...

  15. High-Resolution Faraday Rotation and Electron-Phonon Coupling in Surface States of the Bulk-Insulating Topological Insulator Cu_{0.02}Bi_{2}Se_{3}.

    Science.gov (United States)

    Wu, Liang; Tse, Wang-Kong; Brahlek, M; Morris, C M; Aguilar, R Valdés; Koirala, N; Oh, S; Armitage, N P

    2015-11-20

    We have utilized time-domain magnetoterahertz spectroscopy to investigate the low-frequency optical response of the topological insulator Cu_{0.02}Bi_{2}Se_{3} and Bi_{2}Se_{3} films. With both field and frequency dependence, such experiments give sufficient information to measure the mobility and carrier density of multiple conduction channels simultaneously. We observe sharp cyclotron resonances (CRs) in both materials. The small amount of Cu incorporated into the Cu_{0.02}Bi_{2}Se_{3} induces a true bulk insulator with only a single type of conduction with a total sheet carrier density of ~4.9×10^{12}/cm^{2} and mobility as high as 4000 cm^{2}/V·s. This is consistent with conduction from two virtually identical topological surface states (TSSs) on the top and bottom of the film with a chemical potential ~145 meV above the Dirac point and in the bulk gap. The CR broadens at high fields, an effect that we attribute to an electron-phonon interaction. This assignment is supported by an extended Drude model analysis of the zero-field Drude conductance. In contrast, in normal Bi_{2}Se_{3} films, two conduction channels were observed, and we developed a self-consistent analysis method to distinguish the dominant TSSs and coexisting trivial bulk or two-dimensional electron gas states. Our high-resolution Faraday rotation spectroscopy on Cu_{0.02}Bi_{2}Se_{3} paves the way for the observation of quantized Faraday rotation under experimentally achievable conditions to push the chemical potential in the lowest Landau level.

  16. Investigation of Selective Laser Melting Surface Alloyed Aluminium Metal Matrix Dispersive Reinforced Layers

    Science.gov (United States)

    Kamburov, V. V.; Dimitrova, R. B.; Kandeva, M. K.; Sofronov, Y. P.

    2018-01-01

    The aim of the paper is to investigate the improvement of mechanical properties and in particular wear resistance of laser surface alloyed dispersive reinforced thin layers produced by selective laser melting (SLM) technology. The wear resistance investigation of aluminium matrix composite layers in the conditions of dry friction surface with abrasive particles and nanoindentation tests were carried out. The process parameters (as scan speed) and their impact on the wear resistant layers have been evaluated. The alloyed layers containing metalized SiC particles were studied by Optical and Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray microanalysis (EDX). The obtained experimental results of the laser alloyed thin layers show significant development of their wear resistance and nanohardness due to the incorporated reinforced phase of electroless nickel coated SiC particles.

  17. The sensitivity of the surface oil signature to subsurface dispersant injection and weather conditions.

    Science.gov (United States)

    Daae, Ragnhild L; Skancke, Jørgen; Brandvik, Per Johan; Faksness, Liv-Guri

    2018-02-01

    Subsea blowouts have the potential to spread oil across large geographical areas, and subsea dispersant injection (SSDI) is a response option targeted at reducing the impact of a blowout, especially reducing persistent surface oil slicks. Modified Weber scaling was used to predict oil droplet sizes with the OSCAR oil spill model, and to evaluate the surface oil volume and area when using SSDI under different conditions. Generally, SSDI reduces the amount of oil on the surface, and creates wider and thinner surface oil slicks. It was found that the reduction of surface oil area and volume with SSDI was enhanced for higher wind speeds. Overall, given the effect of SSDI on oil volume and weathering, it may be suggested that tar ball formation, requiring thick and weathered oil, could possibly be reduced when SSDI is used. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. The use of multiwavelets for uncertainty estimation in seismic surface wave dispersion.

    Energy Technology Data Exchange (ETDEWEB)

    Poppeliers, Christian [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-12-01

    This report describes a new single-station analysis method to estimate the dispersion and uncer- tainty of seismic surface waves using the multiwavelet transform. Typically, when estimating the dispersion of a surface wave using only a single seismic station, the seismogram is decomposed into a series of narrow-band realizations using a bank of narrow-band filters. By then enveloping and normalizing the filtered seismograms and identifying the maximum power as a function of frequency, the group velocity can be estimated if the source-receiver distance is known. However, using the filter bank method, there is no robust way to estimate uncertainty. In this report, I in- troduce a new method of estimating the group velocity that includes an estimate of uncertainty. The method is similar to the conventional filter bank method, but uses a class of functions, called Slepian wavelets, to compute a series of wavelet transforms of the data. Each wavelet transform is mathematically similar to a filter bank, however, the time-frequency tradeoff is optimized. By taking multiple wavelet transforms, I form a population of dispersion estimates from which stan- dard statistical methods can be used to estimate uncertainty. I demonstrate the utility of this new method by applying it to synthetic data as well as ambient-noise surface-wave cross-correlelograms recorded by the University of Nevada Seismic Network.

  19. Electron-phonon interactions and the phonon anomaly in β-phase NiTi

    International Nuclear Information System (INIS)

    Zhao, G.L.; Harmon, B.N.

    1993-01-01

    The electronic structure of β-phase NiTi has been calculated using a first-principles linear-combination-of-atomic-orbitals method. The resulting band structure was fitted with a nonorthogonal tight-binding Hamiltonian from which electron-phonon matrix elements were evaluated. The soft phonon near Q 0 =(2/3, 2) / (3 ,0)π/a, which is responsible for the premartensitic phase transition in β-phase NiTi, is found to arise from the strong electron-phonon coupling of nested electronic states on the Fermi surface. Thermal vibrations and changes in electronic occupation cause a smearing of the nested features, which in turn cause a hardening of the phonon anomaly

  20. Dispersion and Polarization of Surface Waves Trapped in High Aspect Ratio Electrode Arrays

    DEFF Research Database (Denmark)

    Laude, Vincent; Dühring, Maria Bayard; Moubchir, Hanane

    2007-01-01

    .Phys., 90(5):2492, 2001; Appl. Phys. Lett., 89:083515, 2006.) an experimental and theoretical analysis of the transduction of SAW under a metallic array of electrodes with a large aspect ratio on a piezoelectric substrate, whereby allowing the electrode height to become larger than one wavelength...... additional results on the polarization and the dispersion of the surface waves trapped by high aspect ratio electrode arrays. A finite element model, including periodic boundary conditions along the propagation direction and a perfectly matched layer (PML) to absorb waves away from the surface...... wave vector values....

  1. Surface-induced patterns from evaporating droplets of aqueous carbon nanotube dispersions

    KAUST Repository

    Zeng, Hongbo

    2011-06-07

    Evaporation of aqueous droplets of carbon nanotubes (CNTs) coated with a physisorbed layer of humic acid (HA) on a partially hydrophilic substrate induces the formation of a film of CNTs. Here, we investigate the role that the global geometry of the substrate surfaces has on the structure of the CNT film. On a flat mica or silica surface, the evaporation of a convex droplet of the CNT dispersion induces the well-known "coffee ring", while evaporation of a concave droplet (capillary meniscus) of the CNT dispersion in a wedge of two planar mica sheets or between two crossed-cylinder sheets induces a large area (>mm 2) of textured or patterned films characterized by different short- and long-range orientational and positional ordering of the CNTs. The resulting patterns appear to be determined by two competing or cooperative sedimentation mechanisms: (1) capillary forces between CNTs giving micrometer-sized filaments parallel to the boundary line of the evaporating droplet and (2) fingering instability at the boundary line of the evaporating droplet and subsequent pinning of CNTs on the surface giving micrometer-sized filaments of CNTs perpendicular to this boundary line. The interplay between substrate surface geometry and sedimentation mechanisms gives an extra control parameter for manipulating patterns of self-assembling nanoparticles at substrate surfaces. © 2011 American Chemical Society.

  2. Spatially-varying surface roughness and ground-level air quality in an operational dispersion model

    International Nuclear Information System (INIS)

    Barnes, M.J.; Brade, T.K.; MacKenzie, A.R.; Whyatt, J.D.; Carruthers, D.J.; Stocker, J.; Cai, X.; Hewitt, C.N.

    2014-01-01

    Urban form controls the overall aerodynamic roughness of a city, and hence plays a significant role in how air flow interacts with the urban landscape. This paper reports improved model performance resulting from the introduction of variable surface roughness in the operational air-quality model ADMS-Urban (v3.1). We then assess to what extent pollutant concentrations can be reduced solely through local reductions in roughness. The model results suggest that reducing surface roughness in a city centre can increase ground-level pollutant concentrations, both locally in the area of reduced roughness and downwind of that area. The unexpected simulation of increased ground-level pollutant concentrations implies that this type of modelling should be used with caution for urban planning and design studies looking at ventilation of pollution. We expect the results from this study to be relevant for all atmospheric dispersion models with urban-surface parameterisations based on roughness. -- Highlights: • Spatially variable roughness improved performance of an operational model. • Scenario modelling explored effect of reduced roughness on air pollution. • Reducing surface roughness can increase modelled ground-level pollution. • Damped vertical mixing outweighs increased horizontal advection in model study. • Result should hold for any model with a land-surface coupling based on roughness. -- Spatially varying roughness improves model simulations of urban air pollutant dispersion. Reducing roughness does not always decrease ground-level pollution concentrations

  3. Robust Imaging Methodology for Challenging Environments: Wave Equation Dispersion Inversion of Surface Waves

    KAUST Repository

    Li, Jing

    2017-12-22

    A robust imaging technology is reviewed that provide subsurface information in challenging environments: wave-equation dispersion inversion (WD) of surface waves for the shear velocity model. We demonstrate the benefits and liabilities of the method with synthetic seismograms and field data. The benefits of WD are that 1) there is no layered medium assumption, as there is in conventional inversion of dispersion curves, so that the 2D or 3D S-velocity model can be reliably obtained with seismic surveys over rugged topography, and 2) WD mostly avoids getting stuck in local minima. The synthetic and field data examples demonstrate that WD can accurately reconstruct the S-wave velocity distributions in laterally heterogeneous media if the dispersion curves can be identified and picked. The WD method is easily extended to anisotropic media and the inversion of dispersion curves associated with Love wave. The liability is that is almost as expensive as FWI and only recovers the Vs distribution to a depth no deeper than about 1/2~1/3 wavelength.

  4. Energy storage and dispersion of surface acoustic waves trapped in a periodic array of mechanical resonators

    DEFF Research Database (Denmark)

    Dühring, Maria Bayard; Laude, Vincent; Khelif, Abdelkrim

    2009-01-01

    confined to the electrode as compared to the total mechanical energy is calculated and is found to be increasing for increasing aspect ratio and to tend to a definite limit for the two families of surface waves. This observation is in support of the interpretation that high aspect ratio electrodes act......It has been shown previously that surface acoustic waves can be efficiently trapped and slowed by steep ridges on a piezoelectric substrate, giving rise to two families of shear-horizontal and vertically polarized surface waves. The mechanisms of energy storage and dispersion are explored by using...... the finite element method to model surface acoustic waves generated by high aspect ratio electrodes. A periodic model is proposed including a perfectly matched layer to simulate radiation conditions away from the sources, from which the modal distributions are found. The ratio of the mechanical energy...

  5. Spectrally resolved surface plasmon resonance dispersion using half-ball optics

    Science.gov (United States)

    Dehmel, Raphael; Baumberg, Jeremy J.; Steiner, Ullrich; Wilts, Bodo D.

    2017-11-01

    In this work, a variant of a Kretschmann-type surface plasmon resonance (SPR) sensor is introduced. k-space imaging is combined with half-ball glass optics to facilitate the measurement of SPRs across the visible spectral range. In contrast to current state-of-the-art techniques, which are widely utilized in commercially available systems, the presented method allows single-shot-acquisition of the full angular reflection without any moving parts, as well as mapping of the surface plasmon dispersion by scanning across the entire visible wavelength range. Measurements on various thin metallic films demonstrate the sensitivity of the system towards minute changes of the metal surface and its close vicinity. The fast and precise measurement of surface plasmon resonances paves the way for improved detection in applications such as immunoassays or gas-sensors, especially for real-time in situ measurements.

  6. Time and momentum-resolved phonon decay

    Science.gov (United States)

    Reis, David

    2017-04-01

    The high brightness of x-ray free-electron lasers provides us a unique opportunity to measure lattice dynamics directly in the time domain and out of equilibrium. As a first step in this direction we demonstrate how ultrafast optical excitation creates temporal coherences in the mean-square phonon displacements spanning the Brillouin zone by a second-order squeezing process. This leads to broad-bandwidth high-resolution measurements of the phonon dispersion without the need for high-resolution monochromators or analyzers. We will also show how anharmonic phonon decay can be viewed as a parametric squeezing process, and present first momentum-resolved measurements of the downconversion of a coherent optical phonon into pairs of high-wavevector acoustic modes, information that cannot be obtained by spectroscopic measurements in the frequency domain. Supported by the Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract DE-AC02-76SF00515.

  7. ``Forbidden'' phonon in the iron chalcogenide series

    Science.gov (United States)

    Fobes, David M.; Zaliznyak, Igor A.; Xu, Zhijun; Gu, Genda; Tranquada, John M.

    2015-03-01

    Recently, we uncovered evidence for the formation of a bond-order wave (BOW) leading to ferro-orbital order at low temperature, acting to stabilize the bicollinear AFM order, in the iron-rich parent compound, Fe1+yTe. Investigating the inelastic spectra centered near (100) in Fe1+yTe, a signature peak for the BOW formation in the monoclinic phase, we observed an acoustic phonon dispersion in both tetragonal and monoclinic phases. While a structural Bragg peak accompanies the mode in the monoclinic phase, in the tetragonal phase Bragg scattering at this Q is forbidden by symmetry, and we observed no elastic peak. This phonon mode was also observed in superconducting FeTe0.6Se0.4, where structural and magnetic transitions are suppressed. LDA frozen phonon calculations suggested that this mode could result from a spin imbalance between neighboring Fe atoms, but polarized neutron measurements revealed no additional magnetic scattering. We propose that this ``forbidden'' phonon mode may originate from dynamically broken symmetry, perhaps related to the strong dynamic spin correlations in these materials. Work at BNL was supported by BES, US DOE, under Contract No. DE-AC02-98CH10886. Research at ORNL's HFIR and SNS sponsored by Scientific User Facilities Division, BES, US DOE. We acknowledge the support of NIST, in providing neutron research facilities.

  8. Influence of surface modification adopting thermal treatments on dispersion of detonation nanodiamond

    International Nuclear Information System (INIS)

    Xu Xiangyang; Yu Zhiming; Zhu Yongwei; Wang Baichun

    2005-01-01

    In order to improve the dispersion of detonation nanodiamonds (ND) in aqueous and non-aqueous media, a series of thermal treatments have been conducted in air ambient to modify ND surface. Small angle X-ray scattering (SAXS) technique and high resolution transmission electron microscopy (HRTEM) were introduced to observe the primary size of ND. Differential thermal analysis (DTA), X-ray diffraction (XRD) methodology, X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared (FTIR) spectroscopy were adopted to analyze the structure, bonds at surfaces of the treated ND. Malvern instrument Zetasizer3000HS was used for measuring the surface electric potential and the size distribution of ND. As thermal treatments can cause graphitization and oxidization of functional groups at the surface, ND treated at high temperature is correspondingly more negatively charged in an aqueous medium, and the increased absolute value of zeta potential ensures the electrostatic stability of ND particles. Specially, after being treated at a temperature more than 850K, ND can be well dispersed in various media

  9. Phonon superradiance and phonon laser effect in nanomagnets.

    Science.gov (United States)

    Chudnovsky, E M; Garanin, D A

    2004-12-17

    We show that the theory of spin-phonon processes in paramagnetic solids must take into account the coherent generation of phonons by the magnetic centers. This effect should drastically enhance spin-phonon rates in nanoscale paramagnets and in crystals of molecular nanomagnets.

  10. Weighted interior penalty discretization of fully nonlinear and weakly dispersive free surface shallow water flows

    Science.gov (United States)

    Di Pietro, Daniele A.; Marche, Fabien

    2018-02-01

    In this paper, we further investigate the use of a fully discontinuous Finite Element discrete formulation for the study of shallow water free surface flows in the fully nonlinear and weakly dispersive flow regime. We consider a decoupling strategy in which we approximate the solutions of the classical shallow water equations supplemented with a source term globally accounting for the non-hydrostatic effects. This source term can be computed through the resolution of elliptic second-order linear sub-problems, which only involve second order partial derivatives in space. We then introduce an associated Symmetric Weighted Internal Penalty discrete bilinear form, allowing to deal with the discontinuous nature of the elliptic problem's coefficients in a stable and consistent way. Similar discrete formulations are also introduced for several recent optimized fully nonlinear and weakly dispersive models. These formulations are validated again several benchmarks involving h-convergence, p-convergence and comparisons with experimental data, showing optimal convergence properties.

  11. Preface: Phonons 2007

    Science.gov (United States)

    Perrin, Bernard

    2007-06-01

    logo.jpg" ALT="Conference logo"/> The conference PHONONS 2007 was held 15-20 July 2007 in the Conservatoire National des Arts et Métiers (CNAM) Paris, France. CNAM is a college of higher technology for training students in the application of science to industry, founded by Henri Grégoire in 1794. This was the 12th International Conference on Phonon Scattering in Condensed Matter. This international conference series, held every 3 years, started in France at Sainte-Maxime in 1972. It was then followed by meetings at Nottingham (1975), Providence (1979), Stuttgart (1983), Urbana-Champaign (1986), Heidelberg (1989), Ithaca (1992), Sapporo (1995), Lancaster (1998), Dartmouth (2001) and St Petersburg (2004). PHONONS 2007 was attended by 346 delegates from 37 different countries as follows: France 120, Japan 45, Germany 25, USA 25, Russia 21, Italy 13, Poland 9, UK 9, Canada 7, The Netherlands 7, Finland 6, Spain 6, Taiwan 6, Greece 4, India 4, Israel 4, Ukraine 4, Serbia 3, South Africa 3, Argentina 2, Belgium 2, China 2, Iran 2, Korea 2, Romania 2, Switzerland 2, and one each from Belarus, Bosnia-Herzegovina, Brazil, Bulgaria, Egypt, Estonia, Mexico, Moldova, Morocco, Saudi Arabia, Turkey. There were 5 plenary lectures, 14 invited talks and 84 oral contributions; 225 posters were presented during three poster sessions. The first plenary lecture was given by H J Maris who presented fascinating movies featuring the motion of a single electron in liquid helium. Robert Blick gave us a review on the new possibilities afforded by nanotechnology to design nano-electomechanical systems (NEMS) and the way to use them to study elementary and fundamental processes. The growing interest for phonon transport studies in nanostructured materials was demonstrated by Arun Majumdar. Andrey Akimov described how ultrafast acoustic solitons can monitor the optical properties of quantum wells. Finally, Maurice Chapellier told us how phonons can help tracking dark matter. These 328

  12. Lithospheric Structure of the Arabian Shield from the Joint Inversion of Receiver Function and Surface-Wave Dispersion Observations

    National Research Council Canada - National Science Library

    Julia, Jordi; Ammon, Charles J; Herrimann, Robert B

    2006-01-01

    .... Receiver functions are primarily sensitive to shear-wave velocity contrasts and vertical travel times and surface-wave dispersion measurements are sensitive to vertical shear-wave velocity averages...

  13. Lithospheric Structure of the Arabian Shield From the Joint Inversion of Receiver Function and Surface-Wave Dispersion Observations

    National Research Council Canada - National Science Library

    Herrmann, Robert B; Julia, Jordi; Ammon, Charles J

    2007-01-01

    .... Receiver functions are primarily sensitive to shear-wave velocity contrast and vertical travel times and surface-wave dispersion measurements are sensitive to vertical shear-wave velocity averages...

  14. Surface spin-glass in cobalt ferrite nanoparticles dispersed in silica matrix

    Energy Technology Data Exchange (ETDEWEB)

    Zeb, F.; Sarwer, W. [Materials Research Laboratory, Department of Physics, International Islamic University, Islamabad (Pakistan); Nadeem, K., E-mail: kashif.nadeem@iiu.edu.pk [Materials Research Laboratory, Department of Physics, International Islamic University, Islamabad (Pakistan); Kamran, M.; Mumtaz, M. [Materials Research Laboratory, Department of Physics, International Islamic University, Islamabad (Pakistan); Krenn, H. [Institute of Physics, Karl-Franzens University Graz, Universitätsplatz 5, A-8010 Graz (Austria); Letofsky-Papst, I. [Institute for Electron Microscopy, University of Technology Graz, Steyrergasse 17, A-8010 Graz (Austria)

    2016-06-01

    Surface effects in cobalt ferrite (CoFe{sub 2}O{sub 4}) nanoparticles dispersed in a silica (SiO{sub 2}) matrix were studied by using AC and DC magnetization. Nanoparticles with different concentration of SiO{sub 2} were synthesized by using sol–gel method. Average crystallite size lies in the range 25–34 nm for different SiO{sub 2} concentration. TEM image showed that particles are spherical and elongated in shape. Nanoparticles with higher concentration of SiO{sub 2} exhibit two peaks in the out-of-phase ac-susceptibility. First peak lies in the high temperature regime and corresponds to average blocking temperature of the nanoparticles. Second peak lies in the low temperature regime and is attributed to surface spin-glass freezing in these nanoparticles. Low temperature peak showed SiO{sub 2} concentration dependence and was vanished for large uncoated nanoparticles. The frequency dependence of the AC-susceptibility of low temperature peak was fitted with dynamic scaling law which ensures the presence of spin-glass behavior. With increasing applied DC field, the low temperature peak showed less shift as compared to blocking peak, broaden, and decreased in magnitude which also signifies its identity as spin-glass peak for smaller nanoparticles. M–H loops showed the presence of more surface disorder in nanoparticles dispersed in 60% SiO{sub 2} matrix. All these measurements revealed that surface effects become strengthen with increasing SiO{sub 2} matrix concentration and surface spins freeze in to spin-glass state at low temperatures. - Highlights: • Surface effects in CoFe{sub 2}O{sub 4} nanoparticles dispersed in a SiO{sub 2} matrix were studied. • Out-of-phase AC-susceptibility exhibits two peaks for SiO{sub 2} coated nanoparticles. • First peak corresponds to average blocking temperature. • Second peak is attributed to surface spin-glass freezing • The spin-glass behavior depends upon the SiO{sub 2} matrix concentration.

  15. Confinement of surface waves at the air-water interface to control aerosol size and dispersity

    Science.gov (United States)

    Nazarzadeh, Elijah; Wilson, Rab; King, Xi; Reboud, Julien; Tassieri, Manlio; Cooper, Jonathan M.

    2017-11-01

    The precise control over the size and dispersity of droplets, produced within aerosols, is of great interest across many manufacturing, food, cosmetic, and medical industries. Amongst these applications, the delivery of new classes of high value drugs to the lungs has recently attracted significant attention from pharmaceutical companies. This is commonly achieved through the mechanical excitation of surface waves at the air liquid interface of a parent liquid volume. Previous studies have established a correlation between the wavelength on the surface of liquid and the final aerosol size. In this work, we show that the droplet size distribution of aerosols can be controlled by constraining the liquid inside micron-sized cavities and coupling surface acoustic waves into different volumes of liquid inside micro-grids. In particular, we show that by reducing the characteristic physical confinement size (i.e., either the initial liquid volume or the cavities' diameters), higher harmonics of capillary waves are revealed with a consequent reduction of both aerosol mean size and dispersity. In doing so, we provide a new method for the generation and fine control of aerosols' sizes distribution.

  16. Effect of a surface oxide-dispersion-strengthened layer on mechanical strength of zircaloy-4 tubes

    Directory of Open Access Journals (Sweden)

    Yang-Il Jung

    2018-03-01

    Full Text Available An oxide-dispersion-strengthened (ODS layer was formed on Zircaloy-4 tubes by a laser beam scanning process to increase mechanical strength. Laser beam was used to scan the yttrium oxide (Y2O3–coated Zircaloy-4 tube to induce the penetration of Y2O3 particles into Zircaloy-4. Laser surface treatment resulted in the formation of an ODS layer as well as microstructural phase transformation at the surface of the tube. The mechanical strength of Zircaloy-4 increased with the formation of the ODS layer. The ring-tensile strength of Zircaloy-4 increased from 790 to 870 MPa at room temperature, from 500 to 575 MPa at 380°C, and from 385 to 470 MPa at 500°C. Strengthening became more effective as the test temperature increased. It was noted that brittle fracture occurred at room temperature, which was not observed at elevated temperatures. Resistance to dynamic high-temperature bursting improved. The burst temperature increased from 760 to 830°C at a heating rate of 5°C/s and internal pressure of 8.3 MPa. The burst opening was also smaller than those in fresh Zircaloy-4 tubes. This method is expected to enhance the safety of Zr fuel cladding tubes owing to the improvement of their mechanical properties. Keywords: Laser Surface Treatment, Microstructure, Oxide Dispersion Strengthened Alloy, Tensile Strength, Zirconium Alloy

  17. Coating polypropylene surfaces with protease weakens the adhesion and increases the dispersion of Candida albicans cells.

    Science.gov (United States)

    Andreani, Eugenio Spadoni; Villa, Federica; Cappitelli, Francesca; Krasowska, Anna; Biniarz, Piotr; Łukaszewicz, Marcin; Secundo, Francesco

    2017-03-01

    To investigate the ability of the proteases, subtilisin and α-chymotrypsin (aCT), to inhibit the adhesion of Candida albicans biofilm to a polypropylene surface. The proteases were immobilized on plasma-treated polypropylene by covalently linking them with either glutaraldehyde (GA) or N'-diisopropylcarbodiimide (DIC) and N-hydroxysuccinimide (NHS). The immobilization did not negatively affect the enzyme activity and in the case of subtilisin, the activity was up to 640% higher than that of the free enzyme when using N-acetyl phenylalanine ethyl ester as the substrate. The efficacies against biofilm dispersal for the GA-linked SubC and aCT coatings were 41 and 55% higher than the control (polypropylene coated with only GA), respectively, whereas no effect was observed with enzymes immobilized with DIC and NHS. The higher dispersion efficacy observed for the proteases immobilized with GA could be both steric (proper orientation of the active site) and dynamic (higher protein mobility/flexibility). Proteases immobilized on a polypropylene surface reduced the adhesion of C. albicans biofilms and therefore may be useful in developing anti-biofilm surfaces based on non-toxic molecules and sustainable strategies.

  18. Crustal thickness estimates for Baja California, Sonora, and Sinaloa, Mexico, using disperse surface waves

    Science.gov (United States)

    López-Pineda, Leobardo; Rebollar, Cecilio J.; Quintanar, Luis

    2007-04-01

    Dispersed surface waves of regional events recorded at Network of Autonomously Recording Seismographs (NARS)-Baja and Red Sísmica de Banda Ancha (RESBAN) networks located over the Baja California Peninsula, Sonora, and Sinaloa, Mexico, were used to estimate shear wave elastic models and crustal thickness. We analyzed fundamental modes of surface waves with period between 10 and 40 s. Multiple filter analysis and the inversion method described by Herrmann and Ammon (2003) was used. Crustal thickness estimates for the Peninsular Ranges of Northern Baja California agree with those obtained by previous studies in the Peninsular Ranges of Northern Baja California. We analyzed dispersion of surface waves with northwest-southeast travel paths along the east and west sides of the Baja California Peninsula as well as a northwest-southeast travel path along the western sides of the Mexican states of Sonora and Sinaloa. It was found that the crustal structure east of the Baja California Peninsula is similar to the structure of Sonora and Sinaloa. The correlation between those two structures suggests dextral offset of the order of 275 ± 25 km if we consider Baja California Peninsula as a rigid body moving toward the northwest relative to the North America plate. This displacement between the structures is in agreement with the displacement determined by the dating of Miocene deposits located in San Felipe on the Baja California Peninsula (Pacific plate), and Isle Tiburon located west of Sonora (North America plate).

  19. Differential scanning calorimetry and surface morphology studies on coated pellets using aqueous dispersions.

    Science.gov (United States)

    Nisar-ur-Rahman; K H, Yuen; Jia Woei, Wong; Khan, Nurzalina A k

    2005-04-01

    The present study was conducted to examine the physicochemical changes during passage of drug through polymeric membranes and observe the surface morphology features of the coated pellets using scanning electron microscopy (SEM). Drug solution was first sprayed around inert pellets to form drug-layered pellets that were coated with two commercial aqueous dispersions namely, Eudragit NE30 and Kollicoat SR30 using bottom-spray fluidized bed technique. Differential scanning calorimetry (DSC) confirmed that no interactions existed between drug and polymers. Small peak of drug was observed in the DSC thermograms of Eudragit NE30 coated pellets indicating that small amount of drug was still present in the polymeric membrane after dissolution. Views of SEM revealed as the coating levels of two types of aqueous dispersions were increased the surface of the pellets become more uniform and compact. Therefore, the diffusion length for dissolution medium to enter the drug layer and dissolved drug to diffuse out would be increased at higher coating levels. The polymer surface of coated pellets after 12 hours dissolution testing seemed to be shrunk and size of the pellets were also reduced indicating the depletion of reservoir layer.

  20. Cavity-polariton interaction mediated by coherent acoustic phonons in semiconductor microcavities

    DEFF Research Database (Denmark)

    de Lima, Mauricio; Hey, Rudolf; Santos, Paul

    (SAWs) in a GaAs QW embedded in a (Al,Ga)As/AlAs microcavity. The periodic modulation introduced by the phonons folds the cavity-polariton dispersion within a mini-Brillouin zone (MBZ) defined by the phonon wave vector ($k_\\mathrm{SAW}$). The appearance of well-defined mini-gaps at the edge of the MBZ...

  1. Crystal electric field-phonon interaction in NdCu2

    International Nuclear Information System (INIS)

    Hense, K.; Gratz, E.; Nowotny, H.; Loewenhaupt, M.; Hoser, A.

    2004-01-01

    A comparison of the crystal electric field (CF)-level schema of NdCu 2 and its measured phonon dispersion relation suggests that some of the phonon branches should show a measurable coupling with the CF. The presented inelastic neutron scattering data obtained from triple axis spectrometer measurements confirm this interaction. In addition, a theoretical model describing the experimental data is presented

  2. Confined and interface phonons in combined cylindrical nanoheterosystem

    Directory of Open Access Journals (Sweden)

    O.M.Makhanets

    2006-01-01

    Full Text Available The spectra of all types of phonons existing in a complicated combined nanoheterosystem consisting of three cylindrical quantum dots embedded into the cylindrical quantum wire placed into vacuum are studied within the dielectric continuum model. It is shown that there are confined optical (LO and interface phonons of two types: top surface optical (TSO and side surface optical (SSO modes of vibration in such a nanosystem. The dependences of phonon energies on the quasiwave numbers and geometrical parameters of quantum dots are investigated and analysed.

  3. Cluster analysis applied to localized dispersion curves in East Asia: the limits of surface wave resolution

    Science.gov (United States)

    Witek, M.; van der Lee, S.; Kang, T. S.; Chang, S. J.; Ning, J.; Ning, S.

    2017-12-01

    We have measured Rayleigh wave group velocity dispersion curves from one year of station-pair cross-correlations of continuous vertical-component broadband data from 1082 seismic stations in regional networks across China, Korea, Taiwan, and Japan for the year 2011. We use the measurements to map local dispersion anomalies for periods in the range 6-40 s. We combined our ambient noise data set with the earthquake group velocity data set of Ma et al. (2014), and then applied agglomerative hierarchical clustering to the localized dispersion curves. We find that the dispersion curves naturally organize themselves into distinct tectonic regions. For our distribution of interstation distances, only 8 distinct regions need to be defined. Additional clusters reduce the overall data misfit by increasingly smaller amounts. The size and number of clusters needed to suitably predict the data may give an indication of the resolving power of the data set. The regions that emerge from the cluster analysis include Tibet, the Sea of Japan, the South China Block and the Korean peninsula, the Ordos and Yangtze cratons, and Mesozoic rift basins such as the Songliao, Bohai Bay and Ulleung basins. We also performed a traditional inversion for 3D S-velocity structure, and the resulting model fits the data as well as the 8-cluster model, while both models fit the earthquake data and ambient noise data better than the LITHO1.0 model of Pasyanos et al. (2014). Our 3D model of the crust and upper mantle confirms many of the features seen in previous studies of the region, most notably the lithospheric thinning going from west to east and low velocity zones in the crust on the Tibetan periphery. We conclude that cluster analysis is able to greatly reduce the dimensionality of surface wave dispersion data, in the sense that a data set of over half a million dispersion curves is sufficiently predicted by appropriately averaging over a relatively small set of distinct tectonic regions. The

  4. ThermoPhonon

    Energy Technology Data Exchange (ETDEWEB)

    2014-11-24

    ThermoPhonon is a stand-alone code, which can be integrated into other software packages. Typically, it is used together with a density functional theory (DFT) code (such as VASP, Wien2k, AbInit, SIESTA) and a phonon code (such as Phonopy or Phon). The workflow is the following. Molecular dynamics (MD) in a supercell at a given temperature T is performed using another code. After sufficient equilibration, the output in the form of atomic positions and forces for a large number of selected MD steps is recorded into a file. If needed, one can modify this file by applying additional constraints, such as enforced crystal symmetry or subtracted motion of the center of mass. ThermoPhonon reads the file with atomic positions and forces and writes a new file with the force constants. Force constants can be used by another code (such as Phonopy or Phon) to produce phonon spectrum for plotting, in the assumption of known equilibrium atomic positions provided in a separate file.

  5. Electrochromic coatings made of surface modified rutile and anatase pigments: Influence of trisilanol POSS dispersant on electrochromic effect

    International Nuclear Information System (INIS)

    Mihelčič, Mohor; Francetič, Vojmir; Pori, Pavli; Gradišar, Helena; Kovač, Janez; Orel, Boris

    2014-01-01

    Graphical abstract: - Highlights: • Transparent pigmented coatings were deposited from titania dispersions. • Trisilanol POSS was used as dispersant. • Surface modification of pigment particles was established from TEM, TG and IR. • IR spectra studies revealed covalent and H-bond dispersant/pigment interactions. • Electrochromic properties of titanina pigment coatings were shown and discussed. - Abstract: Polyhedral oligomeric silsesqioxanes (POSS) compounds consisting of [RSiO 3/2 ] n groups organized in the form of various polyhedra (T n , n = 3, 6, 8, 10, 12, ….) have not often been used as pigment surface modifiers. Their interactions with pigments are not known in detail and coatings deposited from pigments modified by POSS dispersants are rare. Identification of interactions between a dispersant and the surface of pigments is important from the point of view of obtaining stable pigment dispersions enabling the deposition of optical coatings with high pigment loading, low haze and mechanical integrity. Thin TiO 2 (anatase) pigment coatings (70–260 nm) were deposited from pigment dispersions prepared by milling metatitanic acid (mTiA) powder agglomerates with trisilanol heptaisobutyl silsesquioxane dispersant (trisilanol POSS) in butanol and hexane. The results of TEM, EDAX and TG measurements confirmed the influence of trisilanol POSS dispersant on the formation of a dispersion with a uniform distribution of mTiA and rutile (mTiR) nanoparticles with a size of about 30 ± 5.0 nm and 90 ± 5.0 nm, respectively, as determined from dynamic light scattering (DLS) measurements. The mTiA/trisilanol POSS dispersions with added titanium tetraisopropoxide were deposited on fluorine-doped tin oxide (FTO) coated glass (spin-coating) and indium tin oxide coated polymeric substrate (ITO PET) (coil-coating) and thermally treated at 150 °C. UV–vis spectra, AFM and SEM results showed that the pigment coatings exhibited low haze (up to 6%), low surface

  6. Structural Properties and Phonon dispertion of NACl

    Directory of Open Access Journals (Sweden)

    R. Khoda-Bakhsh

    2001-06-01

    Full Text Available   Although many phenomena in condensed matter Physics can be understood on the basis of a model, there are also considerable number of physical properties of solid which can not be explained except in the framework of lattice dynamics.   We have calculated the phonon frequencies of Na Cl, using an approach which is a combination of frozen phonon and force constants methods in the framework of density functional pseudopotential theory. The dispersion relation curves, were calculated along symmetry direction Δ,  Σ  and  Ù. We also calculated Grunesein parameters for all modes at X and L points in Brillion zone. The calcutions are made in the framework of density functional and pseudopotential theory, using super cell method, with the valence orbitals expanded in plane waves.

  7. Phononic crystals fundamentals and applications

    CERN Document Server

    Adibi, Ali

    2016-01-01

    This book provides an in-depth analysis as well as an overview of phononic crystals. This book discusses numerous techniques for the analysis of phononic crystals and covers, among other material, sonic and ultrasonic structures, hypersonic planar structures and their characterization, and novel applications of phononic crystals. This is an ideal book for those working with micro and nanotechnology, MEMS (microelectromechanical systems), and acoustic devices. This book also: Presents an introduction to the fundamentals and properties of phononic crystals Covers simulation techniques for the analysis of phononic crystals Discusses sonic and ultrasonic, hypersonic and planar, and three-dimensional phononic crystal structures Illustrates how phononic crystal structures are being deployed in communication systems and sensing systems.

  8. Expressions to Rayleigh circumferential phase velocity and dispersion relation for a cylindrical surface under mechanical pressure

    Science.gov (United States)

    Sebold, Jean Eduardo; de Lacerda, Luiz Alkimin

    2018-04-01

    This paper describes a substantiated mathematical theory for Rayleigh waves propagated on some types of metal cylinders. More specifically, it presents not only a new way to express the dispersion relation of Rayleigh waves propagated on the cylindrical surface, but also how it can be used to construct a mathematical equation showing that the applied static mechanical pressure affects the shear modulus of the metal cylinder. All steps, required to conclude the process, consider the equation of motion as a function of radial and circumferential coordinates only, while the axial component can be overlooked without causing any problems. Some numerical experiments are done to illustrate the changes in the Rayleigh circumferential phase velocity in a metal cylindrical section due to static mechanical pressure around its external surface.

  9. Refractive index dispersion of swift heavy ion irradiated BFO thin films using Surface Plasmon Resonance technique

    Energy Technology Data Exchange (ETDEWEB)

    Paliwal, Ayushi [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India); Sharma, Savita [Department of Applied Physics, Delhi Technological University, Delhi (India); Tomar, Monika [Physics Department, Miranda House, University of Delhi, Delhi 110007 (India); Singh, Fouran [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110075 (India); Gupta, Vinay, E-mail: drguptavinay@gmail.com [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India)

    2016-07-15

    Highlights: • Investigated the optical properties of BiFeO{sub 3} (BFO) thin films after irradiation using SPR. • Otto configuration has been used to excite the surface plasmons using gold metal thin film. • BFO thin films were prepared by sol–gel spin coating technique. • Examined the refractive index dispersion of pristine and irradiated BFO thin film. - Abstract: Swift heavy ion irradiation (SHI) is an effective technique to induce defects for possible modifications in the material properties. There is growing interest in studying the optical properties of multiferroic BiFeO{sub 3} (BFO) thin films for optoelectronic applications. In the present work, BFO thin films were prepared by sol–gel spin coating technique and were irradiated using the 15 UD Pelletron accelerator with 100 MeV Au{sup 9+} ions at a fluence of 1 × 10{sup 12} ions cm{sup −2}. The as-grown films became rough and porous on ion irradiation. Surface Plasmon Resonance (SPR) technique has been identified as a highly sensitive and powerful technique for studying the optical properties of a dielectric material. Optical properties of BFO thin films, before and after irradiation were studied using SPR technique in Otto configuration. Refractive index is found to be decreasing from 2.27 to 2.14 on ion irradiation at a wavelength of 633 nm. Refractive index dispersion of BFO thin film (from 405 nm to 633 nm) before and after ion radiation was examined.

  10. Ultrafast dark-field surface inspection with hybrid-dispersion laser scanning

    Science.gov (United States)

    Yazaki, Akio; Kim, Chanju; Chan, Jacky; Mahjoubfar, Ata; Goda, Keisuke; Watanabe, Masahiro; Jalali, Bahram

    2014-06-01

    High-speed surface inspection plays an important role in industrial manufacturing, safety monitoring, and quality control. It is desirable to go beyond the speed limitation of current technologies for reducing manufacturing costs and opening a new window onto a class of applications that require high-throughput sensing. Here, we report a high-speed dark-field surface inspector for detection of micrometer-sized surface defects that can travel at a record high speed as high as a few kilometers per second. This method is based on a modified time-stretch microscope that illuminates temporally and spatially dispersed laser pulses on the surface of a fast-moving object and detects scattered light from defects on the surface with a sensitive photodetector in a dark-field configuration. The inspector's ability to perform ultrafast dark-field surface inspection enables real-time identification of difficult-to-detect features on weakly reflecting surfaces and hence renders the method much more practical than in the previously demonstrated bright-field configuration. Consequently, our inspector provides nearly 1000 times higher scanning speed than conventional inspectors. To show our method's broad utility, we demonstrate real-time inspection of the surface of various objects (a non-reflective black film, transparent flexible film, and reflective hard disk) for detection of 10 μm or smaller defects on a moving target at 20 m/s within a scan width of 25 mm at a scan rate of 90.9 MHz. Our method holds promise for improving the cost and performance of organic light-emitting diode displays for next-generation smart phones, lithium-ion batteries for green electronics, and high-efficiency solar cells.

  11. Phononic fluidics: acoustically activated droplet manipulations

    Science.gov (United States)

    Reboud, Julien; Wilson, Rab; Bourquin, Yannyk; Zhang, Yi; Neale, Steven L.; Cooper, Jonathan M.

    2011-02-01

    Microfluidic systems have faced challenges in handling real samples and the chip interconnection to other instruments. Here we present a simple interface, where surface acoustic waves (SAWs) from a piezoelectric device are coupled into a disposable acoustically responsive microfluidic chip. By manipulating droplets, SAW technologies have already shown their potential in microfluidics, but it has been limited by the need to rely upon mixed signal generation at multiple interdigitated electrode transducers (IDTs) and the problematic resulting reflections, to allow complex fluid operations. Here, a silicon chip was patterned with phononic structures, engineering the acoustic field by using a full band-gap. It was simply coupled to a piezoelectric LiNbO3 wafer, propagating the SAW, via a thin film of water. Contrary to the use of unstructured superstrates, phononic metamaterials allowed precise spatial control of the acoustic energy and hence its interaction with the liquids placed on the surface of the chip, as demonstrated by simulations. We further show that the acoustic frequency influences the interaction between the SAW and the phononic lattice, providing a route to programme complex fluidic manipulation onto the disposable chip. The centrifugation of cells from a blood sample is presented as a more practical demonstration of the potential of phononic crystals to realize diagnostic systems.

  12. Functionalization of Cadmium Selenide Quantum Dots with Poly(ethylene glycol): Ligand Exchange, Surface Coverage, and Dispersion Stability.

    Science.gov (United States)

    Wenger, Whitney Nowak; Bates, Frank S; Aydil, Eray S

    2017-08-22

    Semiconductor quantum dots synthesized using rapid mixing of precursors by injection into a hot solution of solvents and surfactants have surface ligands that sterically stabilize the dispersions in nonpolar solvents. Often, these ligands are exchanged to disperse the quantum dots in polar solvents, but quantitative studies of quantum dot surfaces before and after ligand exchange are scarce. We studied exchanging trioctylphosphine (TOP) and trioctylphosphine oxide (TOPO) ligands on as-synthesized CdSe quantum dots dispersed in hexane with a 2000 g/mol thiolated poly(ethylene glycol) (PEG) polymer. Using infrared spectroscopy we quantify the absolute surface concentration of TOP/TOPO and PEG ligands per unit area before and after ligand exchange. While 50-85% of the TOP/TOPO ligands are removed upon ligand exchange, only a few are replaced with PEG. Surprisingly, the remaining TOP/TOPO ligands outnumber the PEG ligands, but these few PEG ligands are sufficient to disperse the quantum dots in polar solvents such as chloroform, tetrahydrofuran, and water. Moreover, as-synthesized quantum dots once easily dispersed in hexane are no longer dispersible in nonpolar solvents after ligand exchange. A subtle coverage-dependent balance between attractive PEG-solvent interactions and repulsive TOP/TOPO-solvent interactions determines the dispersion stability.

  13. Surface self-assembly of fluorosurfactants during film formation of MMA/nBA colloidal dispersions.

    Science.gov (United States)

    Dreher, W R; Urban, M W

    2004-11-23

    These studies focus on the behavior of fluorosurfactants (FS) containing hydrophobic and ionic entities in the presence of methyl methacrylate/n-butyl acrylate (MMA/nBA) colloidal dispersions stabilized by sodium dodecyl sulfate (SDS). The presence of FS significantly not only alters the mobility of SDS in MMA/nBA films, but their hydrophobic and ionic nature results in self-assembly near the film-air (F-A) interface leading to different surface morphologies. Spherical islands and rodlike morphologies are formed which diminish the kinetic coefficient of friction of films by at least 3 orders of magnitude, and the presence of dual hydrophobic tails and an anionic head appears to have the largest effect on the surface friction. Using internal reflection IR imaging, these studies show that structural and chemical features of FS are directly related to their ability to migrate to the F-A interface and self-assemble to form specific morphological features. While the anionic nature of FS allows for SDS migration to the F-A interface and the formation of stable domains across the surface, intermolecular cohesion of nonionic FS allows for the formation of rodlike structures due to inability to form mixed micelles with SDS. These studies also establish the relationship between surface morphologies, kinetic coefficient of friction, and structural features of surfactants in the complex environments.

  14. Phonon Measurements and Model Calculations for Naphtalene-d8

    DEFF Research Database (Denmark)

    Mackenzie, Gordon A.; Pawley, G. S.; Dietrich, O. W.

    1977-01-01

    Measurements of the phonon dispersion curves in naphthalene-d8, (deuteration >99%), taken at 77K are presented. The experiments were done on two crystals, using the triple-axis neutron spectrometers at the medium flux reactor, DR3 at Riso. Most of the external or lattice modes have been measured...

  15. Phonons in face-centred cubic calcium and strontium

    International Nuclear Information System (INIS)

    Singh, S.P.; Rathore, R.P.S.

    1984-01-01

    The axially symmetric and unpaired forces are employed to analyse the phonon dispersion and elastic behaviour of face centred cubic calcium and strontium which have so far not been studied adequately. The model with three parameters predicts the results which agree marvellously with the recently measured data. (author)

  16. Crustal structure of northern Egypt from joint inversion of receiver functions and surface wave dispersion velocities

    Science.gov (United States)

    Badawy, Ahmed; Hegazi, Mona; Gaber, Hanan; Korrat, Ibrahim

    2018-01-01

    In this study, we used a combined inversion of body wave receiver functions and surface wave dispersion measurements to provide constraints on the crustal structure of northern Egypt. The two techniques are complementary to each other: receiver functions (RFs) are sensitive to shear-wave velocity contrasts, while surface wave dispersion (SWD) measurements are sensitive to finite variations of shear-wave velocity with depth. A database of 122 teleseismic events digitally recorded by the Egyptian National Seismological Network (ENSN) stations has been used as well. To enhance the resulting RFs at each ENSN station, the H-k stacking method was applied. A joint inversion process between the resulting receiver functions and the surface wave dispersion curves was applied as well. We have produced three averaged velocity structure models for distinct geographic and tectonic provinces namely Sinai, eastern desert, and western desert from east to the west respectively. These models will deeply help in estimation the epicenter distance of earthquake, focal mechanism solutions, and earthquake hazard analysis in northern Egypt. An obvious image of the subsurface structure has been determined which shows that generally the crustal structure of northern Egypt consists of three layers covered with a sequence of sediments that differs in thickness from across the region except in the Sharm area where the sedimentary cover is absent. The obtained results indicate that crustal thickness differs from east to west and reaches its maximum value of about 36 km at Siwa station (SWA) in the western desert and its minimum value of about 28 km at Sharm station (SHR) of the southern tip of the Sinai Peninsula. The Vp/Vs ratio varies between 1.71 and 2.07 in northern Egypt. Generally, the high values (1.93) of (Vp/Vs) at SWA station may reflect the well-known rich aquifer with fully saturated sediments of the Swia Oasis in the Western Desert. Moreover, the highest value (2.07) of (Vp/Vs) at

  17. Atomic layer deposition of highly dispersed Pt nanoparticles on a high surface area electrode backbone for electrochemical promotion of catalysis

    NARCIS (Netherlands)

    Hajar, Y.; di Palma, V.; Kyriakou, V.; Verheijen, M. A.; Baranova, E. A.; Vernoux, P.; Kessels, W. M. M.; Creatore, M.; van de Sanden, M. C. M.; Tsampas, M. N.

    2017-01-01

    A novel catalyst design for electrochemical promotion of catalysis (EPOC) is proposed which overcomes the main bottlenecks that limit EPOC commercialization, i.e., the low dispersion and small surface area of metal catalysts. We have increased the surface area by using a porous composite electrode

  18. Acousto-optical phonon excitation in cubic piezoelectric slabs and crystal growth orientation effects

    DEFF Research Database (Denmark)

    Willatzen, Morten; Duggen, Lars

    2017-01-01

    In this paper we investigate theoretically the influence of piezoelectric coupling on phonon dispersion relations. Specifically we solve dispersion relations for a fully coupled zinc-blende freestanding quantum well for different orientations of the crystal unit cell. It is shown that the phonon...... mode density in GaAs can change by a factor of approximately 2–3 at qx a = 1 for different crystal-growth directions relative to the slab thickness direction. In particular, it is found that optical and acoustic phonon modes are always piezoelectrically coupled, independent of the crystal...... that the piezoelectric effect leads to a drastically enhanced coupling of acoustic and optical phonon modes and increase in the local phonon density of states near the plasma frequency where the permittivity approaches zero....

  19. A novel noninvasive surface ECG analysis using interlead QRS dispersion in arrhythmogenic right ventricular cardiomyopathy.

    Science.gov (United States)

    Hsieh, Wan-Hsin; Lin, Chin-Yu; Te, Abigail Louise D; Lo, Men-Tzung; Wu, Cheng-I; Chung, Fa-Po; Chang, Yi-Chung; Chang, Shih-Lin; Lin, Chen; Lo, Li-Wei; Hu, Yu-Feng; Liao, Jo-Nan; Chen, Yun-Yu; Jhuo, Shih-Jie; Raharjo, Sunu Budhi; Lin, Yenn-Jiang; Chen, Shih-Ann

    2017-01-01

    This study investigated the feasibility of using the precordial surface ECG lead interlead QRS dispersion (IQRSD) in the identification of abnormal ventricular substrate in arrhythmogenic right ventricular cardiomyopathy (ARVC). Seventy-one consecutive patients were enrolled and reclassified into 4 groups: definite ARVC with epicardial ablation (Group 1), ARVC with ventricular tachycardia (VT, Group 2), idiopathic right ventricular outflow tract VT without ARVC (Group 3), and controls without VT (Group 4). IQRSD was quantified by the angular difference between the reconstruction vectors obtained from the QRS-loop decomposition, based on a principal component analysis (PCA). Electroanatomic mapping and simulated ECGs were used to investigate the relationship between QRS dispersion and abnormal substrate. The percentage of the QRS loop area in the Group 1-2 was smaller than the controls (P = 0.01). The IQRSD between V1-V2 could differentiate all VTs from control (Psurface ECG precordial leads successfully differentiated ARVC from controls, and could be used as a noninvasive marker to identify the abnormal substrate and the status of ARVC patients who can benefit from epicardial ablation.

  20. Joint Inversion of Surface Waves Dispersion and Receiver Function at Cuba Seismic Stations

    International Nuclear Information System (INIS)

    Gonzalez, O'Leary; Moreno, Bladimir; Romanelli, Fabio; Panza, Giuliano F.

    2010-06-01

    Joint inversion of Rayleigh wave group velocity dispersion and receiver functions have been used to estimate the crust and upper mantle structure at eight seismic stations in Cuba. Receiver functions have been computed from teleseismic recordings of earthquakes at epicentral (angular) distances between 30 o and 90 o and Rayleigh wave group velocity dispersion have been taken from a surface-wave tomography study of the Caribbean area. The thickest crust (around 27 km) is found at Cascorro (CCC), Soroa (SOR), Moa (MOA) and Maisi (MAS) stations while the thinnest crust (around 18 km) is found at stations Rio Carpintero (RCC) and Guantanamo Bay (GTBY), in the southeastern of Cuba; this result is in agreement with the southward gradual thinning of the crust revealed by previous studies. The inversion shows a crystalline crust with S-wave velocity between 2.9 km/s and 3.9 km/s and at the crust-mantle transition zone the shear wave velocity varies from 3.9 km/s and 4.3 km/s. The lithospheric thickness varies from 74 km, in the youngest lithosphere, to 200 km in the middle of the Cuban island. Evidences of a subducted slab possibly belonging to the Caribbean plate are present below the stations Las Mercedes (LMG), RCC and GTBY and a thicker slab is present below the SOR station. (author)

  1. Phononic crystals with one-dimensional defect as sensor materials

    Science.gov (United States)

    Aly, Arafa H.; Mehaney, Ahmed

    2017-09-01

    Recently, sensor technology has attracted great attention in many fields due to its importance in many engineering applications. In the present work, we introduce a study using the innovative properties of phononic crystals in enhancing a new type of sensors based on the intensity of transmitted frequencies inside the phononic band gaps. Based on the transfer matrix method and Bloch theory, the expressions of the reflection coefficient and dispersion relation are presented. Firstly, the influences of filling fraction ratio and the angle of incidence on the band gap width are discussed. Secondly, the localization of waves inside band gaps is discussed by enhancing the properties of the defected phononic crystal. Compared to the periodic structure, localization modes involved within the band structure of phononic crystals with one and two defect layers are presented and compared. Trapped localized modes can be detected easily and provide more information about defected structures. Such method could increase the knowledge of manufacturing defects by measuring the intensity of propagated waves in the resonant cavities and waveguides. Moreover, several factors enhance the role of the defect layer on the transmission properties of defected phononic crystals are presented. The acoustic band gap can be used to detect or sense the type of liquids filling the defect layer. The liquids make specific resonant modes through the phononic band gaps that related to the properties of each liquid. The frequency where the maximum resonant modes occur is correlated to material properties and allows to determine several parameters such as the type of an unknown material.

  2. The dispersal and impact of salt from surface storage piles the Waste Isolation Pilot Plant

    International Nuclear Information System (INIS)

    Reith, C.C.; Louderbough, E.T.

    1986-01-01

    A comprehensive program of ecological studies occurs at the Waste Isolation Pilot Plant (WIPP) in an effort to detect and quantify impacts of excavated salt which is stored on the surface in two piles: one having originated in 1980, the other in 1984. Both piles are surrounded by berms which channel runoff to holding ponds, so nearly all dispersal is due to the resuspension, transport, and deposition of salt particles by wind. Ecological parameters which have been monitored since 1984 include: visual evidence (via photography), soil properties, microbial activity, leaf-litter decomposition, seedling emergence, plant foliar cover, and plant species diversity. These are periodically assessed at experimental plots near the salt piles, and at control plots several kilometers away

  3. Estimating sub-surface dispersed oil concentration using acoustic backscatter response.

    Science.gov (United States)

    Fuller, Christopher B; Bonner, James S; Islam, Mohammad S; Page, Cheryl; Ojo, Temitope; Kirkey, William

    2013-05-15

    The recent Deepwater Horizon disaster resulted in a dispersed oil plume at an approximate depth of 1000 m. Several methods were used to characterize this plume with respect to concentration and spatial extent including surface supported sampling and autonomous underwater vehicles with in situ instrument payloads. Additionally, echo sounders were used to track the plume location, demonstrating the potential for remote detection using acoustic backscatter (ABS). This study evaluated use of an Acoustic Doppler Current Profiler (ADCP) to quantitatively detect oil-droplet suspensions from the ABS response in a controlled laboratory setting. Results from this study showed log-linear ABS responses to oil-droplet volume concentration. However, the inability to reproduce ABS response factors suggests the difficultly in developing meaningful calibration factors for quantitative field analysis. Evaluation of theoretical ABS intensity derived from the particle size distribution provided insight regarding method sensitivity in the presence of interfering ambient particles. Copyright © 2013 Elsevier Ltd. All rights reserved.

  4. ARPES on Na0.6CoO2: Fermi surface and unusual band dispersion.

    Science.gov (United States)

    Yang, H-B; Wang, S-C; Sekharan, A K P; Matsui, H; Souma, S; Sato, T; Takahashi, T; Takeuchi, T; Campuzano, J C; Jin, R; Sales, B C; Mandrus, D; Wang, Z; Ding, H

    2004-06-18

    The electronic structure of single crystals Na0.6CoO2, which are closely related to the superconducting Na0.3CoO2.yH(2)O (T(c) approximately 5 K), is studied by angle-resolved photoelectron spectroscopy. While the measured Fermi surface (FS) is consistent with the large FS enclosing the Gamma point from the band theory, the predicted small FS pockets near the K points are absent. In addition, the band dispersion is found to be highly renormalized, and anisotropic along the two principal axes (Gamma-K, Gamma-M). Our measurements also indicate that an extended flatband is formed slightly above E(F) along Gamma-K.

  5. Phonon contribution to the shear viscosity of a superfluid Fermi gas in the unitarity limit

    International Nuclear Information System (INIS)

    Mannarelli, Massimo; Manuel, Cristina; Tolos, Laura

    2013-01-01

    We present a detailed analysis of the contribution of small-angle Nambu–Goldstone boson (phonon) collisions to the shear viscosity, η, in a superfluid atomic Fermi gas close to the unitarity limit. We show that the experimental values of the shear viscosity coefficient to entropy ratio, η/s, obtained at the lowest reached temperature can be reproduced assuming that phonons give the leading contribution to η. The phonon contribution is evaluated considering 1↔2 processes and taking into account the finite size of the experimental system. In particular, for very low temperatures, T≲0.1T F , we find that phonons are ballistic and the contribution of phonons to the shear viscosity is determined by the processes that take place at the interface between the superfluid and the normal phase. This result is independent of the detailed form of the phonon dispersion law and leads to two testable predictions: the shear viscosity should correlate with the size of the optical trap and it should decrease with decreasing temperature. For higher temperatures the detailed form of the phonon dispersion law becomes relevant and, within our model, we find that the experimental data for η/s can be reproduced assuming that phonons have an anomalous dispersion law. -- Highlights: •We study the contribution of phonons to shear viscosity of a cold Fermi gas at unitary. •The shear viscosity to entropy ratio (η/s) is reproduced for T F . •For very low temperatures η/s correlates with the size of the optical trap. •We explain η/s for T>∼0.1T F assuming an anomalous dispersion law for phonons

  6. Surface structural, morphological, and catalytic studies of homogeneously dispersed anisotropic Ag nanostructures within mesoporous silica

    Energy Technology Data Exchange (ETDEWEB)

    Sareen, Shweta [Thapar University, School of Chemistry and Biochemistry (India); Mutreja, Vishal [Maharishi Markandeshwar University, Department of Chemistry (India); Pal, Bonamali; Singh, Satnam, E-mail: ssingh@thapar.edu [Thapar University, School of Chemistry and Biochemistry (India)

    2016-11-15

    Highly dispersed anisotropic Ag nanostructures were synthesized within the channels of 3-aminopropyltrimethoxysilane (APTMS)-modified mesoporous SBA-15 for catalyzing the reduction of p-dinitrobenzene, p-nitrophenol, and p-nitroacetophenone, respectively. A green templating process without involving any reducing agent, by varying the amount (1–10 wt.%) of Ag loading followed by calcination at 350 °C under H{sub 2} led to change in the morphology of Ag nanoparticles from nanospheres (~7–8 nm) to nanorods (aspect ratio ~12–30 nm) without any deformation in mesoporous sieves. In comparison to white bare SBA-15, gray-colored samples were formed with Ag impregnation exhibiting absorption bands at 484 and 840 nm indicating the formation of anisotropic Ag nanostructures within mesoporous matrix. TEM and FE-SEM micrographs confirmed the presence of evenly dispersed Ag nanostructures within as well as on the surface of mesoporous matrix. AFM studies indicated a small decrease in the average roughness of SBA-15 from 20.59 to 19.21 nm for 4 wt.% Ag/m-SBA-15, illustrating the encapsulation of majority of Ag nanoparticles in the siliceous matrix and presence of small amount of Ag nanoparticles on the mesoporous support. Moreover, due to plugging of mesopores with Ag, a significant decrease in surface area from 680 m{sup 2}/g of SBA-15 to 385 m{sup 2}/g was observed. The Ag-impregnated SBA-15 catalyst displayed superior catalytic activity than did bare SBA-15 with 4 wt.% Ag-loaded catalyst exhibiting optimum activity for selective reduction of p-nitrophenol to p-aminophenol (100 %), p-nitroacetophenone to p-aminoacetophenone (100 %), and p-dinitrobenzene to p-nitroaniline (87 %), with a small amount of p-phenylenediamine formation.

  7. Thermal characterization of nanoscale phononic crystals using supercell lattice dynamics

    Directory of Open Access Journals (Sweden)

    Bruce L. Davis

    2011-12-01

    Full Text Available The concept of a phononic crystal can in principle be realized at the nanoscale whenever the conditions for coherent phonon transport exist. Under such conditions, the dispersion characteristics of both the constitutive material lattice (defined by a primitive cell and the phononic crystal lattice (defined by a supercell contribute to the value of the thermal conductivity. It is therefore necessary in this emerging class of phononic materials to treat the lattice dynamics at both periodicity levels. Here we demonstrate the utility of using supercell lattice dynamics to investigate the thermal transport behavior of three-dimensional nanoscale phononic crystals formed from silicon and cubic voids of vacuum. The periodicity of the voids follows a simple cubic arrangement with a lattice constant that is around an order of magnitude larger than that of the bulk crystalline silicon primitive cell. We consider an atomic-scale supercell which incorporates all the details of the silicon atomic locations and the void geometry. For this supercell, we compute the phonon band structure and subsequently predict the thermal conductivity following the Callaway-Holland model. Our findings dictate that for an analysis based on supercell lattice dynamics to be representative of the properties of the underlying lattice model, a minimum supercell size is needed along with a minimum wave vector sampling resolution. Below these minimum values, a thermal conductivity prediction of a bulk material based on a supercell will not adequately recover the value obtained based on a primitive cell. Furthermore, our results show that for the relatively small voids and void spacings we consider (where boundary scattering is dominant, dispersion at the phononic crystal unit cell level plays a noticeable role in determining the thermal conductivity.

  8. Surface-Initiated Graft Atom Transfer Radical Polymerization of Methyl Methacrylate from Chitin Nanofiber Macroinitiator under Dispersion Conditions

    Directory of Open Access Journals (Sweden)

    Ryo Endo

    2015-08-01

    Full Text Available Surface-initiated graft atom transfer radical polymerization (ATRP of methyl methacrylate (MMA from self-assembled chitin nanofibers (CNFs was performed under dispersion conditions. Self-assembled CNFs were initially prepared by regeneration from a chitin ion gel with 1-allyl-3-methylimidazolium bromide using methanol; the product was then converted into the chitin nanofiber macroinitiator by reaction with α-bromoisobutyryl bromide in a dispersion containing N,N-dimethylformamide. Surface-initiated graft ATRP of MMA from the initiating sites on the CNFs was subsequently carried out under dispersion conditions, followed by filtration to obtain the CNF-graft-polyMMA film. Analysis of the product confirmed the occurrence of the graft ATRP on the surface of the CNFs.

  9. Neutron and x-ray scattering study of phonon dispersion and diffuse scattering in (Na ,Bi ) Ti O3-x BaTi O3 single crystals near the morphotropic phase boundary

    Science.gov (United States)

    Luo, Chengtao; Bansal, Dipanshu; Li, Jiefang; Viehland, Dwight; Winn, Barry; Ren, Yang; Li, Xiaobing; Luo, Haosu; Delaire, Olivier

    2017-11-01

    Neutron and x-ray scattering measurements were performed on (N a1 /2B i1 /2 ) Ti O3-x at %BaTi O3 (NBT-x BT ) single crystals (x =4 , 5, 6.5, and 7.5) across the morphotropic phase boundary (MPB), as a function of both composition and temperature, and probing both structural and dynamical aspects. In addition to the known diffuse scattering pattern near the Γ points, our measurements revealed new, faint superlattice peaks, as well as an extensive diffuse scattering network, revealing a short-range ordering of polar nanoregions (PNR) with a static stacking morphology. In samples with compositions closest to the MPB, our inelastic neutron scattering investigations of the phonon dynamics showed two unusual features in the acoustic phonon branches, between the superlattice points, and between the superlattice points and Γ points, respectively. These critical elements are not present in the other compositions away from the MPB, which suggests that these features may be related to the tilt modes coupling behavior near the MPB.

  10. Band structures and localization properties of aperiodic layered phononic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yan Zhizhong, E-mail: zzyan@bit.edu.cn [Department of Applied Mathematics, Beijing Institute of Technology, Beijing 100081 (China); Zhang Chuanzeng [Department of Civil Engineering, University of Siegen, D-57078 Siegen (Germany)

    2012-03-15

    The band structures and localization properties of in-plane elastic waves with coupling of longitudinal and transverse modes oblique propagating in aperiodic phononic crystals based on Thue-Morse and Rudin-Shapiro sequences are studied. Using transfer matrix method, the concept of the localization factor is introduced and the correctness is testified through the Rytov dispersion relation. For comparison, the perfect periodic structure and the quasi-periodic Fibonacci system are also considered. In addition, the influences of the random disorder, local resonance, translational and/or mirror symmetries on the band structures of the aperiodic phononic crystals are analyzed in this paper.

  11. Transport and dispersion of pollutants in surface impoundments: a finite element model

    International Nuclear Information System (INIS)

    Yeh, G.T.

    1980-07-01

    A surface impoundment model in finite element (SIMFE) is presented to enable the simulation of flow circulations and pollutant transport and dispersion in natural or artificial lakes, reservoirs or ponds with any number of islands. This surface impoundment model consists of two sub-models: hydrodynamic and pollutant transport models. Both submodels are simulated by the finite element method. While the hydrodynamic model is solved by the standard Galerkin finite element scheme, the pollutant transport model can be solved by any of the twelve optional finite element schemes built in the program. Theoretical approximations and the numerical algorithm of SIMFE are described. Detail instruction of the application are given and listing of FORTRAN IV source program are provided. Two sample problems are given. One is for an idealized system with a known solution to show the accuracy and partial validation of the models. The other is applied to Prairie Island for a set of hypothetical input data, typifying a class of problems to which SIMFE may be applied

  12. Transport and dispersion of pollutants in surface impoundments: a finite element model

    Energy Technology Data Exchange (ETDEWEB)

    Yeh, G.T.

    1980-07-01

    A surface impoundment model in finite element (SIMFE) is presented to enable the simulation of flow circulations and pollutant transport and dispersion in natural or artificial lakes, reservoirs or ponds with any number of islands. This surface impoundment model consists of two sub-models: hydrodynamic and pollutant transport models. Both submodels are simulated by the finite element method. While the hydrodynamic model is solved by the standard Galerkin finite element scheme, the pollutant transport model can be solved by any of the twelve optional finite element schemes built in the program. Theoretical approximations and the numerical algorithm of SIMFE are described. Detail instruction of the application are given and listing of FORTRAN IV source program are provided. Two sample problems are given. One is for an idealized system with a known solution to show the accuracy and partial validation of the models. The other is applied to Prairie Island for a set of hypothetical input data, typifying a class of problems to which SIMFE may be applied.

  13. Surface modification of magnetite nanoparticle with azobenzene-containing water dispersible polymer

    International Nuclear Information System (INIS)

    Theamdee, Pawinee; Traiphol, Rakchart; Rutnakornpituk, Boonjira; Wichai, Uthai; Rutnakornpituk, Metha

    2011-01-01

    We here report the synthesis of magnetite nanoparticle (MNP) grafted with poly (ethylene glycol) methyl ether methacrylate (PEGMA)-azobenzene acrylate (ABA) statistical copolymer via atom transfer radical polymerization (ATRP) for drug entrapment and photocontrolled release. MNP was synthesized via thermal decomposition of iron (III) acetylacetonate in benzyl alcohol and surface functionalized to obtain ATRP initiating sites. Molar compositions of the copolymer on MNP surface were systematically varied (100:0, 90:10, 70:30, and 50:50 of PEGMA:ABA, respectively) to obtain water dispersible particles with various amounts of azobenzene. The presence of polymeric shell on MNP core was evidenced by transmission electron microscopy (TEM). Drug loading and entrapment efficiencies as well as drug release behavior of the copolymer–MNP complexes were investigated. It was found that when percent of ABA in the copolymers was increased, entrapment and loading efficiencies of prednisolone model drug were enhanced. Releasing rate and percent of the released prednisolone of the complex exposed in UV light were slightly enhanced as compared to the system without UV irradiation. This copolymer–MNP complex with photocontrollable drug release and magnetic field-directed properties is warranted for further studies for potential uses as a novel drug delivery vehicle.

  14. The directional propagation characteristics of elastic wave in two-dimensional thin plate phononic crystals

    International Nuclear Information System (INIS)

    Wen Jihong; Yu, Dianlong; Wang Gang; Zhao Honggang; Liu Yaozong; Wen Xisen

    2007-01-01

    The directional propagation characteristics of elastic wave during pass bands in two-dimensional thin plate phononic crystals are analyzed by using the lumped-mass method to yield the phase constant surface. The directions and regions of wave propagation in phononic crystals for certain frequencies during pass bands are predicted with the iso-frequency contour lines of the phase constant surface, which are then validated with the harmonic responses of a finite two-dimensional thin plate phononic crystals with 16x16 unit cells. These results are useful for controlling the wave propagation in the pass bands of phononic crystals

  15. Weyl points and Fermi arcs in a chiral phononic crystal

    Science.gov (United States)

    Li, Feng; Huang, Xueqin; Lu, Jiuyang; Ma, Jiahong; Liu, Zhengyou

    2018-01-01

    Topological semimetals are materials whose band structure contains touching points that are topologically nontrivial and can host quasiparticle excitations that behave as Dirac or Weyl fermions. These so-called Weyl points not only exist in electronic systems, but can also be found in artificial periodic structures with classical waves, such as electromagnetic waves in photonic crystals and acoustic waves in phononic crystals. Due to the lack of spin and a difficulty in breaking time-reversal symmetry for sound, however, topological acoustic materials cannot be achieved in the same way as electronic or optical systems. And despite many theoretical predictions, experimentally realizing Weyl points in phononic crystals remains challenging. Here, we experimentally realize Weyl points in a chiral phononic crystal system, and demonstrate surface states associated with the Weyl points that are topological in nature, and can host modes that propagate only in one direction. As with their photonic counterparts, chiral phononic crystals bring topological physics to the macroscopic scale.

  16. Phonons in models for icosahedral quasicrystals : low frequency behaviour and inelastic scattering properties

    Science.gov (United States)

    Los, J.; Janssen, T.; Gähler, F.

    1993-06-01

    A detailed study of the low frequency behaviour of the phonon spectrum for 3-dimensional tiling models of icosahedral quasicrystals is presented, in commensurate approximations with up to 10 336 atoms per unit cell. The scaling behaviour of the lowest phonon branches shows that the widths of the gaps relative to the bandwidths vanish in the low frequency limit. The density of states at low frequencies is calculated by Brillouin zone integration, using either local linear or local quadratic interpolation of the branch surface. For perfect approximants it appears that there is a deviation from the normal ω^2-behaviour already at relatively low frequencies, in the form of pseudogaps. Also randomized approximants are considered, and it turns out that the pseudogaps in the density of states are flattened by randomization. When approaching the quasiperiodic limit, the dispersion of the acoustic branches becomes more and more isotropic, and the two transversal sound velocities tend to the same value. The dynamical structure factor is determined for several approximants, and it is shown that the linearity and the isotropy of the dispersion are extended far beyond the range of the acoustic branches inside the Brillouin zone. A sharply peaked response is observed at low frequencies, and broadening at higher frequencies. To obtain these results, an efficient algorithm based on Lanczos tridiagonalisation is used.

  17. Nonlocal electron-phonon coupling in the pentacene crystal: Beyond the Γ-point approximation

    KAUST Repository

    Yi, Yuanping

    2012-01-01

    There is currently increasing interest in understanding the impact of the nonlocal (Peierls-type) electron-phonon mechanism on charge transport in organic molecular semiconductors. Most estimates of the non-local coupling constants reported in the literature are based on the Γ-point phonon modes. Here, the influence of phonon modes spanning the entire Brillouin zone (phonon dispersion) on the nonlocal electron-phonon couplings is investigated for the pentacene crystal. The phonon modes are obtained by using a supercell approach. The results underline that the overall nonlocal couplings are substantially underestimated by calculations taking sole account of the phonons at the Γ point of the unit cell. The variance of the transfer integrals based on Γ-point normal-mode calculations at room temperature is underestimated in some cases by 40% for herringbone-type dimers and by over 80% for cofacial dimers. Our calculations show that the overall coupling is somewhat larger for holes than for electrons. The results also suggest that the interactions of charge carriers (both electrons and holes) with acoustic and optical phonons are comparable. Therefore, an adequate description of the charge-transport properties in pentacene and similar systems requires that these two electron-phonon coupling mechanisms be treated on the same footing. © 2012 American Institute of Physics.

  18. Cavity-type hypersonic phononic crystals

    International Nuclear Information System (INIS)

    Sato, A; Fytas, G; Pennec, Y; Djafari-Rouhani, B; Yanagishita, T; Masuda, H; Knoll, W

    2012-01-01

    We report on the engineering of the phonon dispersion diagram in monodomain anodic porous alumina (APA) films through the porosity and physical state of the material residing in the nanopores. Lattice symmetry and inclusion materials are theoretically identified to be the main factors which control the hypersonic acoustic wave propagation. This involves the interaction between the longitudinal and the transverse modes in the effective medium and a flat band characteristic of the material residing in the cavities. Air and filled nanopores, therefore, display markedly different dispersion relations and the inclusion materials lead to a locally resonant structural behavior uniquely determining their properties under confinement. APA films emerge as a new platform to investigate the rich acoustic phenomena of structured composite matter. (paper)

  19. Tunable Topological Phononic Crystals

    KAUST Repository

    Chen, Zeguo

    2016-05-27

    Topological insulators first observed in electronic systems have inspired many analogues in photonic and phononic crystals in which remarkable one-way propagation edge states are supported by topologically nontrivial band gaps. Such band gaps can be achieved by breaking the time-reversal symmetry to lift the degeneracy associated with Dirac cones at the corners of the Brillouin zone. Here, we report on our construction of a phononic crystal exhibiting a Dirac-like cone in the Brillouin zone center. We demonstrate that simultaneously breaking the time-reversal symmetry and altering the geometric size of the unit cell result in a topological transition that we verify by the Chern number calculation and edge-mode analysis. We develop a complete model based on the tight binding to uncover the physical mechanisms of the topological transition. Both the model and numerical simulations show that the topology of the band gap is tunable by varying both the velocity field and the geometric size; such tunability may dramatically enrich the design and use of acoustic topological insulators.

  20. Investigations on particle surface characteristics vs. dispersion behaviour of L-leucine coated carrier-free inhalable powders.

    Science.gov (United States)

    Raula, Janne; Thielmann, Frank; Naderi, Majid; Lehto, Vesa-Pekka; Kauppinen, Esko I

    2010-01-29

    Aerosol microparticles of salbutamol sulphate are gas-phase coated with an amino acid L-leucine. Depending of the saturated state of L-leucine, the coating is formed by the surface diffusion of L-leucine molecules within a droplet or by the physical vapour deposition (PVD) of L-leucine or by the combination thereof. The PVD coated particles showed excellent aerosolization characteristics in a carrier-free powder delivery from an inhaler. The aerosolization of the fine powders is compared with surface energy parameters analysed by inverse gas chromatography (IGC). The dispersion testing is conducted by a Inhalation Simulator using a fast inhalation profile with inhalation flow rate of 67 l min(-1). It is found that the powder emission is affected by the morphology, surface roughness (asperity size and density) of the particles and acidity of particle surface. The latter affects the dispersion and dose repeatability of fine powder in a case if L-leucine content is high enough. However, there is no direct correlation between dispersive surface energies and aerosolization performances of the powders. Crucial factors for the improved aerosolization rely weakly on surface acid-base properties but strongly on particle morphology and fine-scale surface roughness. 2009 Elsevier B.V. All rights reserved.

  1. Quasiparticle-phonon nuclear model

    International Nuclear Information System (INIS)

    Soloviev, V.G.

    1977-01-01

    The general assumptions of the quasiparticle-phonon model of complex nuclei are given. The choice of the model hamiltonian as an average field and residual forces is discussed. The phonon description and quasiparticle-phonon interaction are presented. The system of basic equations and their approximate solutions are obtained. The approximation is chosen so as to obtain the most correct description of few-quasiparticle components rather than of the whole wave function. The method of strenght functions is presented, which plays a decisive role in practical realization of the quasiparticle-phonon model for the description of some properties of complex nuclei. The range of applicability of the quasiparticle-phonon nuclear model is determined as few-quasiparticle components of the wave functions at low, intermediate and high excitation energies averaged in a certain energy interval

  2. Control of flying flexible aircraft using control surfaces and dispersed piezoelectric actuators

    Science.gov (United States)

    Tuzcu, Ilhan; Meirovitch, Leonard

    2006-08-01

    The flight of relatively stiff aircraft can be adequately controlled by standard means, i.e., by the engine throttles and control surfaces. When the flexibility becomes a factor, the standard controls may not be sufficient. In several earlier papers, the authors have addressed the problem of dynamics and control of maneuvering flexible aircraft. Using a perturbation approach they separated the problem into a quasi-rigid flight dynamics problem for the flight variables, which tend to be large, and an extended perturbation problem for the perturbations in the flight variables and the elastic vibration, which tend to be small, where the second problem receives input from the first. It was suggested in the earlier papers that, in addition to the standard controls, the controls for the extended perturbation problem include actuators whose task is to control the vibration. In this paper, the possibility of controlling the vibration by means of piezoelectric actuators dispersed over the flexible structural components, and in particular over the wing and empennage, is explored. It is concluded that piezoelectric actuators can be effective in damping out vibration if adequate power sources can be provided. This is the first time that the feasibility of piezoelectric actuators has been investigated in a flight environment.

  3. Spatially resolved quantification of agrochemicals on plant surfaces using energy dispersive X-ray microanalysis.

    Science.gov (United States)

    Hunsche, Mauricio; Noga, Georg

    2009-12-01

    In the present study the principle of energy dispersive X-ray microanalysis (EDX), i.e. the detection of elements based on their characteristic X-rays, was used to localise and quantify organic and inorganic pesticides on enzymatically isolated fruit cuticles. Pesticides could be discriminated from the plant surface because of their distinctive elemental composition. Findings confirm the close relation between net intensity (NI) and area covered by the active ingredient (AI area). Using wide and narrow concentration ranges of glyphosate and glufosinate, respectively, results showed that quantification of AI requires the selection of appropriate regression equations while considering NI, peak-to-background (P/B) ratio, and AI area. The use of selected internal standards (ISs) such as Ca(NO(3))(2) improved the accuracy of the quantification slightly but led to the formation of particular, non-typical microstructured deposits. The suitability of SEM-EDX as a general technique to quantify pesticides was evaluated additionally on 14 agrochemicals applied at diluted or regular concentration. Among the pesticides tested, spatial localisation and quantification of AI amount could be done for inorganic copper and sulfur as well for the organic agrochemicals glyphosate, glufosinate, bromoxynil and mancozeb. (c) 2009 Society of Chemical Industry.

  4. Surface chemical compositions and dispersity of starch nanocrystals formed by sulfuric and hydrochloric acid hydrolysis.

    Science.gov (United States)

    Wei, Benxi; Xu, Xueming; Jin, Zhengyu; Tian, Yaoqi

    2014-01-01

    Surface chemical compositions of starch nanocrystals (SNC) prepared using sulfuric acid (H2SO4) and hydrochloric acid (HCl) hydrolysis were analyzed by X-ray photoelectron spectroscopy (XPS) and FT-IR. The results showed that carboxyl groups and sulfate esters were presented in SNC after hydrolysis with H2SO4, while no sulfate esters were detected in SNC during HCl-hydrolysis. TEM results showed that, compared to H2SO4-hydrolyzed sample, a wider size distribution of SNC prepared by HCl-hydrolysis were observed. Zeta-potentials were -23.1 and -5.02 mV for H2SO4- and HCl-hydrolyzed SNC suspensions at pH 6.5, respectively. Nevertheless, the zeta-potential values decreased to -32.3 and -10.2 mV as the dispersion pH was adjusted to 10.6. After placed 48 h at pH 10.6, zeta-potential increased to -24.1 mV for H2SO4-hydrolyzed SNC, while no change was detected for HCl-hydrolyzed one. The higher zeta-potential and relative small particle distribution of SNC caused more stable suspensions compared to HCl-hydrolyzed sample.

  5. Surface chemical compositions and dispersity of starch nanocrystals formed by sulfuric and hydrochloric acid hydrolysis.

    Directory of Open Access Journals (Sweden)

    Benxi Wei

    Full Text Available Surface chemical compositions of starch nanocrystals (SNC prepared using sulfuric acid (H2SO4 and hydrochloric acid (HCl hydrolysis were analyzed by X-ray photoelectron spectroscopy (XPS and FT-IR. The results showed that carboxyl groups and sulfate esters were presented in SNC after hydrolysis with H2SO4, while no sulfate esters were detected in SNC during HCl-hydrolysis. TEM results showed that, compared to H2SO4-hydrolyzed sample, a wider size distribution of SNC prepared by HCl-hydrolysis were observed. Zeta-potentials were -23.1 and -5.02 mV for H2SO4- and HCl-hydrolyzed SNC suspensions at pH 6.5, respectively. Nevertheless, the zeta-potential values decreased to -32.3 and -10.2 mV as the dispersion pH was adjusted to 10.6. After placed 48 h at pH 10.6, zeta-potential increased to -24.1 mV for H2SO4-hydrolyzed SNC, while no change was detected for HCl-hydrolyzed one. The higher zeta-potential and relative small particle distribution of SNC caused more stable suspensions compared to HCl-hydrolyzed sample.

  6. Refractive index dispersion of swift heavy ion irradiated BFO thin films using Surface Plasmon Resonance technique

    Science.gov (United States)

    Paliwal, Ayushi; Sharma, Savita; Tomar, Monika; Singh, Fouran; Gupta, Vinay

    2016-07-01

    Swift heavy ion irradiation (SHI) is an effective technique to induce defects for possible modifications in the material properties. There is growing interest in studying the optical properties of multiferroic BiFeO3 (BFO) thin films for optoelectronic applications. In the present work, BFO thin films were prepared by sol-gel spin coating technique and were irradiated using the 15 UD Pelletron accelerator with 100 MeV Au9+ ions at a fluence of 1 × 1012 ions cm-2. The as-grown films became rough and porous on ion irradiation. Surface Plasmon Resonance (SPR) technique has been identified as a highly sensitive and powerful technique for studying the optical properties of a dielectric material. Optical properties of BFO thin films, before and after irradiation were studied using SPR technique in Otto configuration. Refractive index is found to be decreasing from 2.27 to 2.14 on ion irradiation at a wavelength of 633 nm. Refractive index dispersion of BFO thin film (from 405 nm to 633 nm) before and after ion radiation was examined.

  7. Surface Chemical Compositions and Dispersity of Starch Nanocrystals Formed by Sulfuric and Hydrochloric Acid Hydrolysis

    Science.gov (United States)

    Wei, Benxi; Xu, Xueming; Jin, Zhengyu; Tian, Yaoqi

    2014-01-01

    Surface chemical compositions of starch nanocrystals (SNC) prepared using sulfuric acid (H2SO4) and hydrochloric acid (HCl) hydrolysis were analyzed by X-ray photoelectron spectroscopy (XPS) and FT-IR. The results showed that carboxyl groups and sulfate esters were presented in SNC after hydrolysis with H2SO4, while no sulfate esters were detected in SNC during HCl-hydrolysis. TEM results showed that, compared to H2SO4-hydrolyzed sample, a wider size distribution of SNC prepared by HCl-hydrolysis were observed. Zeta-potentials were −23.1 and −5.02 mV for H2SO4- and HCl-hydrolyzed SNC suspensions at pH 6.5, respectively. Nevertheless, the zeta-potential values decreased to −32.3 and −10.2 mV as the dispersion pH was adjusted to 10.6. After placed 48 h at pH 10.6, zeta-potential increased to −24.1 mV for H2SO4-hydrolyzed SNC, while no change was detected for HCl-hydrolyzed one. The higher zeta-potential and relative small particle distribution of SNC caused more stable suspensions compared to HCl-hydrolyzed sample. PMID:24586246

  8. Determining the near-surface current profile from measurements of the wave dispersion relation

    Science.gov (United States)

    Smeltzer, Benjamin; Maxwell, Peter; Aesøy, Eirik; Ellingsen, Simen

    2017-11-01

    The current-induced Doppler shifts of waves can yield information about the background mean flow, providing an attractive method of inferring the current profile in the upper layer of the ocean. We present measurements of waves propagating on shear currents in a laboratory water channel, as well as theoretical investigations of inversion techniques for determining the vertical current structure. Spatial and temporal measurements of the free surface profile obtained using a synthetic Schlieren method are analyzed to determine the wave dispersion relation and Doppler shifts as a function of wavelength. The vertical current profile can then be inferred from the Doppler shifts using an inversion algorithm. Most existing algorithms rely on a priori assumptions of the shape of the current profile, and developing a method that uses less stringent assumptions is a focus of this study, allowing for measurement of more general current profiles. The accuracy of current inversion algorithms are evaluated by comparison to measurements of the mean flow profile from particle image velocimetry (PIV), and a discussion of the sensitivity to errors in the Doppler shifts is presented.

  9. Petroleum-collecting and dispersing complexes based on oleic acid and nitrogenous compounds as surface-active agents for removing thin petroleum films from water surface.

    Science.gov (United States)

    Asadov, Ziyafaddin H; Tantawy, Ahmed H; Zarbaliyeva, Ilhama A; Rahimov, Ravan A

    2012-01-01

    Petroleum-collecting and dispersing complexes were synthesized on the basis of oleic acid and nitrogen-containing compounds. Surface-active properties (interfacial tension) of the obtained complexes were investigated by stalagmometric method. Petroleum-collecting and dispersing properties of the oleic acid complexes in diluted (5% wt. water or alcoholic solution) and undiluted form have been studied in waters of varying salinity (distilled, fresh and sea waters). Some of physico-chemical indices of the prepared compounds such as solubility, acid and amine numbers as well as electrical conductivity have been determined. The ability of oleic acid complex with ethylenediamine as petro-collecting and dispersing agent towards different types of petroleum has been studied. The influence of thickness and "age" of the petroleum slick on collecting and dispersing capacity of this complex has been clarified. Surface properties studied included critical micelle concentration (CMC), maximum surface excess (Γ(max)), and minimum surface area (A(min)). Free energies of micellization (ΔG°(mic)) and adsorption (ΔG°(ads)) were calculated.

  10. Phonon-eigenspectrum-based formulation of the atomistic Green's function method

    Science.gov (United States)

    Sadasivam, Sridhar; Waghmare, Umesh V.; Fisher, Timothy S.

    2017-11-01

    While the atomistic Green's function (AGF) method has the potential to compute spectrally resolved phonon transport across interfaces, most prior formulations of the AGF method provide only the total phonon transmission function that includes contributions from all phonon branches or channels. In this work, we present a formulation of the conventional AGF technique in terms of phonon eigenspectra that provides a natural decomposition of the total transmission function into contributions from various phonon modes. The method involves the use of Dyson and Lippmann-Schwinger equations to determine surface Green's functions from the phonon eigenspectrum of the bulk, and establishes a direct connection between the transmission function and the bulk phonon spectra of the materials forming the interface. We elucidate our formulation of the AGF technique through its application to a microscopic picture of phonon mode conversion at Si-Ge interfaces with atomic intermixing. Intermixing of atoms near the interface is shown to increase the phase space available for phonon mode conversion and to enhance thermal interface conductance at moderate levels of atomic mixing. The eigenspectrum-based AGF method should be useful in determination of microscopic mechanisms of phonon scattering and identification of the specific modes that dominate thermal transport across an interface.

  11. Direct observation of magnon-phonon coupling in yttrium iron garnet

    Science.gov (United States)

    Man, Haoran; Shi, Zhong; Xu, Guangyong; Xu, Yadong; Chen, Xi; Sullivan, Sean; Zhou, Jianshi; Xia, Ke; Shi, Jing; Dai, Pengcheng

    2017-09-01

    The magnetic insulator yttrium iron garnet (YIG) with a ferrimagnetic transition temperature of ˜560 K has been widely used in microwave and spintronic devices. Anomalous features in spin Seeback effect (SSE) voltages have been observed in Pt/YIG and attributed to magnon-phonon coupling. Here, we use inelastic neutron scattering to map out low-energy spin waves and acoustic phonons of YIG at 100 K as a function of increasing magnetic field. By comparing the zero and 9.1 T data, we find that instead of splitting and opening up gaps at the spin wave and acoustic phonon dispersion intersecting points, magnon-phonon coupling in YIG enhances the hybridized scattering intensity. These results are different from expectations of conventional spin-lattice coupling, calling for different paradigms to understand the scattering process of magnon-phonon interactions and the resulting magnon polarons.

  12. Fabrication of Water Jet Resistant and Thermally Stable Superhydrophobic Surfaces by Spray Coating of Candle Soot Dispersion.

    Science.gov (United States)

    Qahtan, Talal F; Gondal, Mohammed A; Alade, Ibrahim O; Dastageer, Mohammed A

    2017-08-08

    A facile synthesis method for highly stable carbon nanoparticle (CNP) dispersion in acetone by incomplete combustion of paraffin candle flame is presented. The synthesized CNP dispersion is the mixture of graphitic and amorphous carbon nanoparticles of the size range of 20-50 nm and manifested the mesoporosity with an average pore size of 7 nm and a BET surface area of 366 m 2 g -1 . As an application of this material, the carbon nanoparticle dispersion was spray coated (spray-based coating) on a glass surface to fabricate superhydrophobic (water contact angle > 150° and sliding angle fabricated from direct candle flame soot deposition (candle-based coating). This study proved that water jet resistant and thermally stable superhydrophobic surfaces can be easily fabricated by simple spray coating of CNP dispersion gathered from incomplete combustion of paraffin candle flame and this technique can be used for different applications with the potential for the large scale fabrication.

  13. Seismic velocity site characterization of 10 Arizona strong-motion recording stations by spectral analysis of surface wave dispersion

    Science.gov (United States)

    Kayen, Robert E.; Carkin, Brad A.; Corbett, Skye C.

    2017-10-19

    Vertical one-dimensional shear wave velocity (VS) profiles are presented for strong-motion sites in Arizona for a suite of stations surrounding the Palo Verde Nuclear Generating Station. The purpose of the study is to determine the detailed site velocity profile, the average velocity in the upper 30 meters of the profile (VS30), the average velocity for the entire profile (VSZ), and the National Earthquake Hazards Reduction Program (NEHRP) site classification. The VS profiles are estimated using a non-invasive continuous-sine-wave method for gathering the dispersion characteristics of surface waves. Shear wave velocity profiles were inverted from the averaged dispersion curves using three independent methods for comparison, and the root-mean-square combined coefficient of variation (COV) of the dispersion and inversion calculations are estimated for each site.

  14. Classification of topological phonons in linear mechanical metamaterials.

    Science.gov (United States)

    Süsstrunk, Roman; Huber, Sebastian D

    2016-08-16

    Topological phononic crystals, alike their electronic counterparts, are characterized by a bulk-edge correspondence where the interior of a material dictates the existence of stable surface or boundary modes. In the mechanical setup, such surface modes can be used for various applications such as wave guiding, vibration isolation, or the design of static properties such as stable floppy modes where parts of a system move freely. Here, we provide a classification scheme of topological phonons based on local symmetries. We import and adapt the classification of noninteracting electron systems and embed it into the mechanical setup. Moreover, we provide an extensive set of examples that illustrate our scheme and can be used to generate models in unexplored symmetry classes. Our work unifies the vast recent literature on topological phonons and paves the way to future applications of topological surface modes in mechanical metamaterials.

  15. Classification of topological phonons in linear mechanical metamaterials

    Science.gov (United States)

    Süsstrunk, Roman

    2016-01-01

    Topological phononic crystals, alike their electronic counterparts, are characterized by a bulk–edge correspondence where the interior of a material dictates the existence of stable surface or boundary modes. In the mechanical setup, such surface modes can be used for various applications such as wave guiding, vibration isolation, or the design of static properties such as stable floppy modes where parts of a system move freely. Here, we provide a classification scheme of topological phonons based on local symmetries. We import and adapt the classification of noninteracting electron systems and embed it into the mechanical setup. Moreover, we provide an extensive set of examples that illustrate our scheme and can be used to generate models in unexplored symmetry classes. Our work unifies the vast recent literature on topological phonons and paves the way to future applications of topological surface modes in mechanical metamaterials. PMID:27482105

  16. Acousto-optical phonon excitation in piezoelectric wurtzite slabs and crystal growth orientation effects

    DEFF Research Database (Denmark)

    Duggen, Lars; Willatzen, Morten

    2017-01-01

    This paper presents a theoretical investigation of phonon dispersion in piezoelectric slabs of hexagonal crystal symmetry (wurtzite). Specifically we solve the fully coupled dispersion relations in a GaN free standing quantum well by varying the crystal growth direction from the [001] axis...

  17. Phonons: Theory and experiments II. Volume 2

    International Nuclear Information System (INIS)

    Bruesch, P.

    1986-01-01

    The present second volume titled as ''Phonons: Theory and Experiments II'', contains, a thorough study of experimental techniques and the interpretation of experimental results. This three-volume set tries to bridge the gap between theory and experiment, and is addressed to those working in both camps in the vast field of dynamical properties of solids. Topics presented in the second volume include; infrared-, Raman and Brillouin spectroscopy, interaction of X-rays with phonons, and inelastic neutron scattering. In addition an account is given of some other techniques, including ultrasonic methods, inelastic electron tunneling spectroscopy, point contact spectroscopy, and spectroscopy of surface phonons, thin films and adsorbates. Both experimental aspects and theoretical concepts necessary for the interpretation of experimental data are discussed. An attempt is made to present the descriptive as well as the analytical aspects of the topics. Simple models are often used to illustrate the basic concepts and more than 100 figures are included to illustrate both theoretical and experimental results. Many chapters contain a number of problems with hints and results giving additional information

  18. Thallium dispersal and contamination in surface sediments from South China and its source identification.

    Science.gov (United States)

    Liu, Juan; Wang, Jin; Chen, Yongheng; Shen, Chuan-Chou; Jiang, Xiuyang; Xie, Xiaofan; Chen, Diyun; Lippold, Holger; Wang, Chunlin

    2016-06-01

    Thallium (Tl) is a non-essential element in humans and it is considered to be highly toxic. In this study, the contents, sources, and dispersal of Tl were investigated in surface sediments from a riverine system (the western Pearl River Basin, China), whose catchment has been contaminated by mining and roasting of Tl-bearing pyrite ores. The isotopic composition of Pb and total contents of Tl and other relevant metals (Pb, Zn, Cd, Co, and Ni) were measured in the pyrite ores, mining and roasting wastes, and the river sediments. Widespread contamination of Tl was observed in the sediments across the river, with the highest concentration of Tl (17.3 mg/kg) measured 4 km downstream from the pyrite industrial site. Application of a modified Institute for Reference Materials and Measurement (IRMM) sequential extraction scheme in representative sediments unveiled that 60-90% of Tl and Pb were present in the residual fraction of the sediments. The sediments contained generally lower (206)Pb/(207)Pb and higher (208)Pb/(206)Pb ratios compared with the natural Pb isotope signature (1.2008 and 2.0766 for (206)Pb/(207)Pb and (208)Pb/(206)Pb, respectively). These results suggested that a significant fraction of non-indigenous Pb could be attributed to the mining and roasting activities of pyrite ores, with low (206)Pb/(207)Pb (1.1539) and high (208)Pb/(206)Pb (2.1263). Results also showed that approximately 6-88% of Tl contamination in the sediments originated from the pyrite mining and roasting activities. This study highlights that Pb isotopic compositions could be used for quantitatively fingerprinting the sources of Tl contamination in sediments. Copyright © 2016 Elsevier Ltd. All rights reserved.

  19. Northern Korean Peninsula 1-D velocity model from surface wave dispersion and full-waveform data

    Science.gov (United States)

    Lee, S. J.; Rhie, J.; Kim, S.; Kang, T. S.; Cho, C.

    2016-12-01

    Monitoring seismic activities in the northern Korean Peninsula is important not only for understanding the characteristics of earthquakes but also for watching nuclear tests. To better monitor those natural and man-made seismic activities, reliable seismic velocity models are required. However, the seismic velocity structure of the region is not known well due to the lack of available seismic data directly measured in the region. This study presents 1-D velocity models of the region using two different datasets comprised of two-year-long continuous waveform and the 2013 North Korea nuclear test event waveform recorded at stations surrounding the region. Two reference 1-D models for the inland and offshore areas (Western East Sea) were estimated by 1-D inversion of surface wave dispersion measurements from ambient noise cross-correlations of the continuous waveform. To investigate the variations in the velocity models, many 1-D models for the paths between the 2013 nuclear test site and stations in China and South Korea were constructed by forward waveform modeling. The velocity variations are not significant for both models representing the inland and offshore paths, respectively. The 1-D models for the inland paths are similar to the models constructed for the southern Korean Peninsula. Interestingly, waveforms sampling through the offshore paths are not well explained by simple 1-D isotropic models. The preliminary result indicates that there exists radial anisotropy with SH being faster than SV by 3-5% in the upper mantle beneath the offshore northern Korean Peninsula, although further studies are necessary to explain the origin of anisotropy. A proper characterization of propagation effects along the offshore paths would be useful for monitoring future nuclear tests because many seismic stations in the eastern South Korea record waveforms sampling the offshore region from the nuclear test site to those stations.

  20. Nanoparticle dispersion effect of laser-surface melting in ZrB{sub 2p}/6061Al composites

    Energy Technology Data Exchange (ETDEWEB)

    Zeng, Yida; Chao, Yuhjin; Luo, Zhen, E-mail: lz-tju@163.com [Tianjin University, School of Material Science and Engineering (China); Huang, Yongxian [State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology (China)

    2017-04-15

    Zirconium diboride (ZrB{sub 2p}, 15 vol%)/6061 aluminum (Al) composites were fabricated via in situ reaction. The existence, morphologies, and dispersion degree of the in situ ZrB{sub 2} particles with size from tens to hundreds of nanometers were studied by X-ray diffractometry, energy-dispersive X-ray spectroscopy, field-emission scanning electron microscopy, and high-resolution transmission electron microscopy. As the particle-settlement effect becomes dominant during the composite fabrication process, ZrB{sub 2} nanoparticles agglomerate to a certain extent in some areas of the as-cast composites. A laser-surface melting (LSM) strategy was applied to disperse agglomerated ZrB{sub 2} nanoparticles in as-cast composites, and the ZrB{sub 2} nanoparticle dispersion is affected visibly by LSM. After LSM, nanoparticles tend to distribute along the grain boundary. Particle clusters were dispersed in an explosive orientation and the particle diffusion distance varied in terms of its radius and melt-viscosity vicinity. High-resolution transmission electron microscopy showed the existence of a subgrain structure near the ZrB{sub 2}–Al interface after LSM. This may increase the yield strength when a dislocation tangle forms.

  1. Nanoparticle dispersion effect of laser-surface melting in ZrB2p/6061Al composites

    International Nuclear Information System (INIS)

    Zeng, Yida; Chao, Yuhjin; Luo, Zhen; Huang, Yongxian

    2017-01-01

    Zirconium diboride (ZrB 2p , 15 vol%)/6061 aluminum (Al) composites were fabricated via in situ reaction. The existence, morphologies, and dispersion degree of the in situ ZrB 2 particles with size from tens to hundreds of nanometers were studied by X-ray diffractometry, energy-dispersive X-ray spectroscopy, field-emission scanning electron microscopy, and high-resolution transmission electron microscopy. As the particle-settlement effect becomes dominant during the composite fabrication process, ZrB 2 nanoparticles agglomerate to a certain extent in some areas of the as-cast composites. A laser-surface melting (LSM) strategy was applied to disperse agglomerated ZrB 2 nanoparticles in as-cast composites, and the ZrB 2 nanoparticle dispersion is affected visibly by LSM. After LSM, nanoparticles tend to distribute along the grain boundary. Particle clusters were dispersed in an explosive orientation and the particle diffusion distance varied in terms of its radius and melt-viscosity vicinity. High-resolution transmission electron microscopy showed the existence of a subgrain structure near the ZrB 2 –Al interface after LSM. This may increase the yield strength when a dislocation tangle forms.

  2. Reduction of thermal conductivity in phononic nanomesh structures

    KAUST Repository

    Yu, Jen-Kan

    2010-07-25

    Controlling the thermal conductivity of a material independently of its electrical conductivity continues to be a goal for researchers working on thermoelectric materials for use in energy applications1,2 and in the cooling of integrated circuits3. In principle, the thermal conductivity κ and the electrical conductivity σ may be independently optimized in semiconducting nanostructures because different length scales are associated with phonons (which carry heat) and electric charges (which carry current). Phonons are scattered at surfaces and interfaces, so κ generally decreases as the surface-to-volume ratio increases. In contrast, σ is less sensitive to a decrease in nanostructure size, although at sufficiently small sizes it will degrade through the scattering of charge carriers at interfaces. Here, we demonstrate an approach to independently controlling κ based on altering the phonon band structure of a semiconductor thin film through the formation of a phononic nanomesh film. These films are patterned with periodic spacings that are comparable to, or shorter than, the phonon mean free path. The nanomesh structure exhibits a substantially lower thermal conductivity than an equivalently prepared array of silicon nanowires, even though this array has a significantly higher surface-to-volume ratio. Bulk-like electrical conductivity is preserved. We suggest that this development is a step towards a coherent mechanism for lowering thermal conductivity. © 2010 Macmillan Publishers Limited. All rights reserved.

  3. Phonons with orbital angular momentum

    International Nuclear Information System (INIS)

    Ayub, M. K.; Ali, S.; Mendonca, J. T.

    2011-01-01

    Ion accoustic waves or phonon modes are studied with orbital angular momentum (OAM) in an unmagnetized collissionless uniform plasma, whose constituents are the Boltzmann electrons and inertial ions. For this purpose, we have employed the fluid equations to obtain a paraxial equation in terms of ion density perturbations and discussed its Gaussian beam and Laguerre-Gauss (LG) beam solutions. Furthermore, an approximate solution for the electrostatic potential problem is presented, allowing to express the components of the electric field in terms of LG potential perturbations. The energy flux due to phonons is also calculated and the corresponding OAM is derived. Numerically, it is shown that the parameters such as azimuthal angle, radial and angular mode numbers, and beam waist, strongly modify the profiles of the phonon LG potential. The present results should be helpful in understanding the phonon mode excitations produced by Brillouin backscattering of laser beams in a uniform plasma.

  4. Direct generation of titanium dioxide nanoparticles dispersion under supercritical conditions for photocatalytic active thermoplastic surfaces for microbiological inactivation

    International Nuclear Information System (INIS)

    Zydziak, Nicolas; Zanin, Maria-Helena Ambrosio; Trick, Iris; Hübner, Christof

    2015-01-01

    Thermoplastic poly(propylene) (PP) and acrylonitrile-butadiene-styrene (ABS) surfaces were coated with silica based films via the sol–gel process, containing titanium dioxide (TiO 2 ) as photocatalyst. TiO 2 was previously synthesized via sol–gel and treated under supercritical conditions in water dispersions. The characterization of the TiO 2 dispersions was performed via disc centrifuge to determine the particle size and via Raman spectroscopy and X-Ray Diffraction (XRD) to characterize the crystallinity of TiO 2 . The synthesized TiO 2 dispersions and commercially available TiO 2 particles were incorporated in silica based films which were synthesized under acidic or basic conditions, leading to dense or porous films respectively. The morphology of the films was characterized via Scanning Electron Microscopy (SEM). The incorporation of synthesized TiO 2 in the coating led to photocatalytically more active thermoplastic surfaces than films formulated with commercially available TiO 2 as determined via dye discoloration test. A microbiological test performed with Sarcina lutea confirmed this result and showed an inactivation factor of 6 (99.9999%) after 24 h UV irradiation, for synthesized TiO 2 incorporated in acidic formulated silica layer on ABS surfaces. - Highlights: • We report about photocatalytic layers formulated on thermoplastic surfaces. • We synthesized silica layer and TiO 2 via sol–gel and supercritical treatment. • Amorphous, crystalline and commercial dispersions were generated and characterized. • The morphology of dense and porous photocatalytic layers is observed via SEM. • Discoloration and microbiological tests correlate activity and surface morphology

  5. Calculation of the phonon density of states and related thermodynamic properties for trigonal selenium

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Alldredge, G. P.; McMurry, H. L.

    1983-01-01

    The phonon density of states for trigonal selenium has been calculated on the basis of a short range force model giving good overall agreement with experimental room temperature phonon dispersion data. A qualitative comparison with an experimental determination of the phonon density of states shows...... similarities in the gross features, but the experimental data lacks many of the finer details shown by the theoretical results due to resolution effects. The lattice dynamical contribution to the heat capacity CV is calculated and is found to be in good agreement with experimental determinations of Cp after...

  6. Evidence of a Love wave bandgap in a quartz substrate coated with a phononic thin layer

    International Nuclear Information System (INIS)

    Liu, Ting-Wei; Wu, Tsung-Tsong; Lin, Yu-Ching; Tsai, Yao-Chuan; Ono, Takahito; Tanaka, Shuji

    2014-01-01

    This paper presents a numerical and experimental study of Love wave propagation in a micro-fabricated phononic crystal (PC) structure consisting of a 2D, periodically etched silica film deposited on a quartz substrate. The dispersion characteristics of Love waves in such a phononic structure were analyzed with various geometric parameters by using complex band structure calculations. For the experiment, we adopted reactive-ion etching with electron-beam lithography to fabricate a submicrometer phononic structure. The measured results exhibited consistency with the numerical prediction. The results of this study may serve as a basis for developing PC-based Love wave devices

  7. Modelling surface radioactive spill dispersion in the Alborán Sea.

    Science.gov (United States)

    Periáñez, R

    2006-01-01

    The Strait of Gibraltar and the Alborán Sea are the only connection between the Atlantic Ocean and the Mediterranean Sea. Intense shipping activities occur in the area, including transport of waste radionuclides and transit of nuclear submarines. Thus, it is relevant to have a dispersion model that can be used in an emergency situation after an accident, to help the decision-making process. Such dispersion model requires an appropriate description of the physical oceanography of the region of interest, with simulations of tides and residual (average) circulation. In this work, a particle-tracking dispersion model that can be used to simulate the dispersion of radionuclides in the system Strait of Gibraltar-Alborán Sea is described. Tides are simulated using a barotropic model and for the average circulation a reduced-gravity model is applied. This model is able to reproduce the main features of the Alborán circulation (the well known Western Alborán Gyre, WAG, and the coastal circulation mode). The dispersion model is run off-line, using previously computed tidal and residual currents. The contamination patch is simulated by a number of particles whose individual paths are computed; diffusion and decay being modelled using a Monte Carlo method. Radionuclide concentrations may be obtained from the density of particles per water volume unit. Results from the hydrodynamic models have been compared with observations in the area. Several examples of dispersion computations under different wind and circulation conditions are presented.

  8. Microscopic theory of the phonon frequencies in BCC barium

    International Nuclear Information System (INIS)

    Oli, B.A.

    1988-09-01

    The phonon dispersion frequencies are calculated from first principles for bbc barium using a resonance pseudopotential model which incorporates the effect of s-d hybridization. It was also possible using this scheme to account for the anomalous feature of the Ba dispersion curve observed experimentally in the (ξ,0,0) direction where the frequencies of the transverse branch are higher than the frequencies of the longitudinal branch. The frequencies obtained were also used to calculate the phonon density of states by the linear-analytic tetrahedra method of zone integration. The results of these calculations are qualitatively in good agreement with experimental data, and provide further support to the interpretation of the anomalous behaviour in the (ξ,0,0) direction as arising from s-d hybridization. (author). 27 refs, 4 figs, 3 tabs

  9. Surface grafting of epoxy polymer on CB to improve its dispersion to be the filler of resistive ink for PCB

    Science.gov (United States)

    Zhou, Guoyun; Xu, Xiaolan; Wang, Shouxu; He, Xuemei; He, Wei; Su, Xinhong; Wong, Ching Ping

    In this paper, we report a novel and efficient method of promoting the dispersing uniformity of carbon black (CB) in epoxy polymer substrate of PCB (printed circuit board) by chemical grafting. The reported method shows the promising capability in the application of advanced printable resistor ink. By taking advantage of the functionalized CB surfaces, the grafting reaction of epoxy polymer on CB particles was investigated with Fourier-transform infrared spectroscopy (FT-IR), transmission electron microscope (TEM) and thermo gravimetric analysis (TGA). FT-IR spectra evidenced the polymerization of epoxy resin with coupling agent and TEM investigation directly confirmed the polymerization occurred on CB surface. The polymerization occurred on the limited part of the CB surfaces to form a network-structure polymer to reside on the CB particles and hence greatly improved CB dispersion in ink as evidenced in ink-droplet spreading verification on glass and PCB resin substrates. On the other hand, the polymer grafting has limited effect on the increasing of the as-cured ink filled with the grafted CBs. Finally, the cross-section observation also confirmed the dispersion improvement and sheet resistance uniformity due to epoxy polymer grafting on PCB substrate, indicating the prospective candidate as embedded resistors for PCB.

  10. Surface grafting of epoxy polymer on CB to improve its dispersion to be the filler of resistive ink for PCB

    Directory of Open Access Journals (Sweden)

    Guoyun Zhou

    Full Text Available In this paper, we report a novel and efficient method of promoting the dispersing uniformity of carbon black (CB in epoxy polymer substrate of PCB (printed circuit board by chemical grafting. The reported method shows the promising capability in the application of advanced printable resistor ink. By taking advantage of the functionalized CB surfaces, the grafting reaction of epoxy polymer on CB particles was investigated with Fourier-transform infrared spectroscopy (FT-IR, transmission electron microscope (TEM and thermo gravimetric analysis (TGA. FT-IR spectra evidenced the polymerization of epoxy resin with coupling agent and TEM investigation directly confirmed the polymerization occurred on CB surface. The polymerization occurred on the limited part of the CB surfaces to form a network-structure polymer to reside on the CB particles and hence greatly improved CB dispersion in ink as evidenced in ink-droplet spreading verification on glass and PCB resin substrates. On the other hand, the polymer grafting has limited effect on the increasing of the as-cured ink filled with the grafted CBs. Finally, the cross-section observation also confirmed the dispersion improvement and sheet resistance uniformity due to epoxy polymer grafting on PCB substrate, indicating the prospective candidate as embedded resistors for PCB. Keywords: Grafting, Carbon black (CB, Epoxy polymer, Resistive ink, Printed circuit board (PCB

  11. Surface properties and physiology of Ulmus laevis and U. minor samaras: implications for seed development and dispersal.

    Science.gov (United States)

    Guzmán-Delgado, Paula; Fernández, Victoria; Venturas, Martin; Rodríguez-Calcerrada, Jesús; Gil, Luis

    2017-06-01

    Plant surface properties influence solid-liquid interactions and matter exchange between the organs and their surrounding environment. In the case of fruits, surface processes may be of relevance for seed production and dispersal. To gain insight into the relationship between surface structure, chemical composition and function of aerial reproductive organs, we performed diverse experiments with the dry, winged fruits, or samaras, of Ulmus laevis Pall. and Ulmus minor Mill. both at the time of full maturity (green samaras) and of samara dispersal (dry samaras). Samaras of both elm species showed positive photosynthetic rates and absorbed water through their epidermal surfaces. The surface wettability, free energy, polarity and solubility parameter were lower in U. laevis than in U. minor and decreased for dry samaras in both species. Ulmus laevis samaras had a high degree of surface nano-roughness mainly conferred by cell wall folds containing pectins that substantially increased after hydration. The samaras in this species also had a thicker cuticle that could be isolated by enzymatic digestion, whereas that of U. minor samaras had higher amounts of soluble lipids. Dry samaras of U. laevis had higher floatability and lower air sustentation than those of U. minor. We concluded that samaras contribute to seed development by participating in carbon and water exchange. This may be especially important for U. minor, whose samaras develop before leaf emergence. The trichomes present along U. laevis samara margin may enhance water absorption and samara floatability even in turbulent waters. In general, U. minor samaras show traits that are consistent with a more drought tolerant character than U. laevis samaras, in line with the resources available both at the tree and ecosystem level for these species. Samara features may additionally reflect different adaptive strategies for seed dispersal and niche differentiation between species, by favoring hydrochory for U. laevis

  12. Phonon density of states and anharmonicity of UO2

    Science.gov (United States)

    Pang, Judy W. L.; Chernatynskiy, Aleksandr; Larson, Bennett C.; Buyers, William J. L.; Abernathy, Douglas L.; McClellan, Kenneth J.; Phillpot, Simon R.

    2014-03-01

    Phonon density of states (PDOS) measurements have been performed on polycrystalline UO2 at 295 and 1200 K using time-of-flight inelastic neutron scattering to investigate the impact of anharmonicity on the vibrational spectra and to benchmark ab initio PDOS simulations performed on this strongly correlated Mott insulator. Time-of-flight PDOS measurements include anharmonic linewidth broadening, inherently, and the factor of ˜7 enhancement of the oxygen spectrum relative to the uranium component by the increased neutron sensitivity to the oxygen-dominated optical phonon modes. The first-principles simulations of quasiharmonic PDOS spectra were neutron weighted and anharmonicity was introduced in an approximate way by convolution with wave-vector-weighted averages over our previously measured phonon linewidths for UO2, which are provided in numerical form. Comparisons between the PDOS measurements and the simulations show reasonable agreement overall, but they also reveal important areas of disagreement for both high and low temperatures. The discrepancies stem largely from a ˜10 meV compression in the overall bandwidth (energy range) of the oxygen-dominated optical phonons in the simulations. A similar linewidth-convoluted comparison performed with the PDOS spectrum of Dolling et al. obtained by shell-model fitting to their historical phonon dispersion measurements shows excellent agreement with the time-of-flight PDOS measurements reported here. In contrast, we show by comparisons of spectra in linewidth-convoluted form that recent first-principles simulations for UO2 fail to account for the PDOS spectrum determined from the measurements of Dolling et al. These results demonstrate PDOS measurements to be stringent tests for ab inito simulations of phonon physics in UO2 and they indicate further the need for advances in theory to address the lattice dynamics of UO2.

  13. Effectiveness of selected dispersants on magnetite deposition at simulated PWR heat-transfer surfaces

    International Nuclear Information System (INIS)

    Burgmayer, P.; Crovetto, R.; Turner, C.; Klimas, S.J.

    1999-07-01

    The effectiveness of 3 different dispersants-a polyphosphonic acid (PIPPA), a polymethacrylic acid (PMA), and a hydroxyethylidene methacrylic acid (HEME)-at controlling magnetite deposition was examined under steam generator operating conditions. Tests in a cycling research model boiler showed that the dispersants resulted in corrosion products of a smaller average size and a bimodal size distribution. At a concentration in the boiler of 10 mg/kg, density weight deposit on heated probes was reduced 4-, 3-, and 2-fold for PMA, PIPPA, and HEME, respectively. PIPPA was the most effective at increasing iron transport out of the boiler. In deposition loop tests using an 59 Fe radiotracer, only PIPPA and HEME were effective at reducing the particle deposition rate under flow-boiling conditions. None of the dispersants had any effect on deposition under single-phase forced-convective flow. (author)

  14. Effectiveness of selected dispersants on magnetite deposition at simulated PWR heat transfer surfaces

    International Nuclear Information System (INIS)

    Burgmayer, P.; Crovetto, R.; Turner, C.; Klimas, S.

    1998-01-01

    The effectiveness of three different dispersants - a polyphosphonic acid (PIPPA); a polymethacrylic acid (PMA); and a hydroxyethylidene methacrylic acid (HEME) - at controlling magnetite deposition has been examined under steam generator operating conditions. Tests in a cycling research model boiler showed that the dispersants resulted in corrosion products with a smaller average size and a bimodal size distribution. At a concentration in the boiler of 10 mg/kg, density weight deposit on heated probes was reduced 4-, 3-, and 2-fold for PMA, PIPPA, and HEME, respectively. PIPPA was the most effective at increasing iron transport out of the boiler. In deposition loop tests using a 59-Fe radiotracer, only PIPPA and HEME were effective at reducing the particle deposition rate under flow-boiling conditions. None of the dispersants had any impact on deposition under single-phase forced-convective flow. (author)

  15. Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids

    Science.gov (United States)

    Feng, Tianli; Lindsay, Lucas; Ruan, Xiulin

    2017-10-01

    For decades, the three-phonon scattering process has been considered to govern thermal transport in solids, while the role of higher-order four-phonon scattering has been persistently unclear and so ignored. However, recent quantitative calculations of three-phonon scattering have often shown a significant overestimation of thermal conductivity as compared to experimental values. In this Rapid Communication we show that four-phonon scattering is generally important in solids and can remedy such discrepancies. For silicon and diamond, the predicted thermal conductivity is reduced by 30% at 1000 K after including four-phonon scattering, bringing predictions in excellent agreement with measurements. For the projected ultrahigh-thermal conductivity material, zinc-blende BAs, a competitor of diamond as a heat sink material, four-phonon scattering is found to be strikingly strong as three-phonon processes have an extremely limited phase space for scattering. The four-phonon scattering reduces the predicted thermal conductivity from 2200 to 1400 W/m K at room temperature. The reduction at 1000 K is 60%. We also find that optical phonon scattering rates are largely affected, being important in applications such as phonon bottlenecks in equilibrating electronic excitations. Recognizing that four-phonon scattering is expensive to calculate, in the end we provide some guidelines on how to quickly assess the significance of four-phonon scattering, based on energy surface anharmonicity and the scattering phase space. Our work clears the decades-long fundamental question of the significance of higher-order scattering, and points out ways to improve thermoelectrics, thermal barrier coatings, nuclear materials, and radiative heat transfer.

  16. Phonon modes in a disordered lattice

    International Nuclear Information System (INIS)

    Chakrabarti, B.K.; Roy, G.K.; Sinha, S.K.

    1979-01-01

    A simple cubic lattice, in which a small fraction of sites are replaced at random by atoms of a different kind and the resulting vibrational excitations are studied. Both the mass and force constant disorders are considered. The equation of motion of the Green function is developed following Matsubara and Yonezawa neglecting shear modes; the resulting expression for dispersion relation is summed up following Keneyashi and Jones to the lowest order in concentration. The results are obtained analytically and are found to be exact upto the linear term in concentration. Expressions have been obtained for the renormalised energies and the damping of the long wavelength phonon modes. In the special case of simple disorder, the results are compared with those of Langer. (K.B.)

  17. Molecular surface area based predictive models for the adsorption and diffusion of disperse dyes in polylactic acid matrix.

    Science.gov (United States)

    Xu, Suxin; Chen, Jiangang; Wang, Bijia; Yang, Yiqi

    2015-11-15

    Two predictive models were presented for the adsorption affinities and diffusion coefficients of disperse dyes in polylactic acid matrix. Quantitative structure-sorption behavior relationship would not only provide insights into sorption process, but also enable rational engineering for desired properties. The thermodynamic and kinetic parameters for three disperse dyes were measured. The predictive model for adsorption affinity was based on two linear relationships derived by interpreting the experimental measurements with molecular structural parameters and compensation effect: ΔH° vs. dye size and ΔS° vs. ΔH°. Similarly, the predictive model for diffusion coefficient was based on two derived linear relationships: activation energy of diffusion vs. dye size and logarithm of pre-exponential factor vs. activation energy of diffusion. The only required parameters for both models are temperature and solvent accessible surface area of the dye molecule. These two predictive models were validated by testing the adsorption and diffusion properties of new disperse dyes. The models offer fairly good predictive ability. The linkage between structural parameter of disperse dyes and sorption behaviors might be generalized and extended to other similar polymer-penetrant systems. Copyright © 2015 Elsevier Inc. All rights reserved.

  18. Dispersion Energy Analysis of Rayleigh and Love Waves in the Presence of Low-Velocity Layers in Near-Surface Seismic Surveys

    Science.gov (United States)

    Mi, Binbin; Xia, Jianghai; Shen, Chao; Wang, Limin

    2017-10-01

    High-frequency surface-wave analysis methods have been effectively and widely used to determine near-surface shear (S) wave velocity. To image the dispersion energy and identify different dispersive modes of surface waves accurately is one of key steps of using surface-wave methods. We analyzed the dispersion energy characteristics of Rayleigh and Love waves in near-surface layered models based on numerical simulations. It has been found that if there is a low-velocity layer (LVL) in the half-space, the dispersion energy of Rayleigh or Love waves is discontinuous and ``jumping'' appears from the fundamental mode to higher modes on dispersive images. We introduce the guided waves generated in an LVL (LVL-guided waves, a trapped wave mode) to clarify the complexity of the dispersion energy. We confirm the LVL-guided waves by analyzing the snapshots of SH and P-SV wavefield and comparing the dispersive energy with theoretical values of phase velocities. Results demonstrate that LVL-guided waves possess energy on dispersive images, which can interfere with the normal dispersion energy of Rayleigh or Love waves. Each mode of LVL-guided waves having lack of energy at the free surface in some high frequency range causes the discontinuity of dispersive energy on dispersive images, which is because shorter wavelengths (generally with lower phase velocities and higher frequencies) of LVL-guided waves cannot penetrate to the free surface. If the S wave velocity of the LVL is higher than that of the surface layer, the energy of LVL-guided waves only contaminates higher mode energy of surface waves and there is no interlacement with the fundamental mode of surface waves, while if the S wave velocity of the LVL is lower than that of the surface layer, the energy of LVL-guided waves may interlace with the fundamental mode of surface waves. Both of the interlacements with the fundamental mode or higher mode energy may cause misidentification for the dispersion curves of surface

  19. Dispersion Energy Analysis of Rayleigh and Love Waves in the Presence of Low-Velocity Layers in Near-Surface Seismic Surveys

    Science.gov (United States)

    Mi, Binbin; Xia, Jianghai; Shen, Chao; Wang, Limin

    2018-03-01

    High-frequency surface-wave analysis methods have been effectively and widely used to determine near-surface shear (S) wave velocity. To image the dispersion energy and identify different dispersive modes of surface waves accurately is one of key steps of using surface-wave methods. We analyzed the dispersion energy characteristics of Rayleigh and Love waves in near-surface layered models based on numerical simulations. It has been found that if there is a low-velocity layer (LVL) in the half-space, the dispersion energy of Rayleigh or Love waves is discontinuous and ``jumping'' appears from the fundamental mode to higher modes on dispersive images. We introduce the guided waves generated in an LVL (LVL-guided waves, a trapped wave mode) to clarify the complexity of the dispersion energy. We confirm the LVL-guided waves by analyzing the snapshots of SH and P-SV wavefield and comparing the dispersive energy with theoretical values of phase velocities. Results demonstrate that LVL-guided waves possess energy on dispersive images, which can interfere with the normal dispersion energy of Rayleigh or Love waves. Each mode of LVL-guided waves having lack of energy at the free surface in some high frequency range causes the discontinuity of dispersive energy on dispersive images, which is because shorter wavelengths (generally with lower phase velocities and higher frequencies) of LVL-guided waves cannot penetrate to the free surface. If the S wave velocity of the LVL is higher than that of the surface layer, the energy of LVL-guided waves only contaminates higher mode energy of surface waves and there is no interlacement with the fundamental mode of surface waves, while if the S wave velocity of the LVL is lower than that of the surface layer, the energy of LVL-guided waves may interlace with the fundamental mode of surface waves. Both of the interlacements with the fundamental mode or higher mode energy may cause misidentification for the dispersion curves of surface

  20. Enhancing of optic phonon contribution in hydrodynamic phonon transport

    Science.gov (United States)

    de Tomas, C.; Cantarero, A.; Lopeandia, A. F.; Alvarez, F. X.

    2015-10-01

    In the framework of the kinetic-collective model of phonon heat transport, we analyze how each range of the phonon frequency spectrum contributes to the total thermal conductivity both in the macro and the nanoscale. For this purpose, we use two case study samples: naturally occurring bulk silicon and a 115 nm of diameter silicon nanowire. We show that the contribution of high-energy phonons (optic branches) is non-negligible only when N-collisions are strongly present. This contribution increases when the effective size of the sample decreases, and it is found to be up to a 10% at room temperature for the 115 nm nanowire, corroborating preliminar ab-initio predictions.

  1. Angle-Resolved Photoemission Spectroscopy on Electronic Structure and Electron-Phonon Coupling in Cuprate Superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, X.J.

    2010-04-30

    In addition to the record high superconducting transition temperature (T{sub c}), high temperature cuprate superconductors are characterized by their unusual superconducting properties below T{sub c}, and anomalous normal state properties above T{sub c}. In the superconducting state, although it has long been realized that superconductivity still involves Cooper pairs, as in the traditional BCS theory, the experimentally determined d-wave pairing is different from the usual s-wave pairing found in conventional superconductors. The identification of the pairing mechanism in cuprate superconductors remains an outstanding issue. The normal state properties, particularly in the underdoped region, have been found to be at odd with conventional metals which is usually described by Fermi liquid theory; instead, the normal state at optimal doping fits better with the marginal Fermi liquid phenomenology. Most notable is the observation of the pseudogap state in the underdoped region above T{sub c}. As in other strongly correlated electrons systems, these unusual properties stem from the interplay between electronic, magnetic, lattice and orbital degrees of freedom. Understanding the microscopic process involved in these materials and the interaction of electrons with other entities is essential to understand the mechanism of high temperature superconductivity. Since the discovery of high-T{sub c} superconductivity in cuprates, angle-resolved photoemission spectroscopy (ARPES) has provided key experimental insights in revealing the electronic structure of high temperature superconductors. These include, among others, the earliest identification of dispersion and a large Fermi surface, an anisotropic superconducting gap suggestive of a d-wave order parameter, and an observation of the pseudogap in underdoped samples. In the mean time, this technique itself has experienced a dramatic improvement in its energy and momentum resolutions, leading to a series of new discoveries not

  2. First-principles prediction of phononic thermal conductivity of silicene: A comparison with graphene

    International Nuclear Information System (INIS)

    Gu, Xiaokun; Yang, Ronggui

    2015-01-01

    There has been great interest in two-dimensional materials, beyond graphene, for both fundamental sciences and technological applications. Silicene, a silicon counterpart of graphene, has been shown to possess some better electronic properties than graphene. However, its thermal transport properties have not been fully studied. In this paper, we apply the first-principles-based phonon Boltzmann transport equation to investigate the thermal conductivity of silicene as well as the phonon scattering mechanisms. Although both graphene and silicene are two-dimensional crystals with similar crystal structure, we find that phonon transport in silicene is quite different from that in graphene. The thermal conductivity of silicene shows a logarithmic increase with respect to the sample size due to the small scattering rates of acoustic in-plane phonon modes, while that of graphene is finite. Detailed analysis of phonon scattering channels shows that the linear dispersion of the acoustic out-of-plane (ZA) phonon modes, which is induced by the buckled structure, makes the long-wavelength longitudinal acoustic phonon modes in silicene not as efficiently scattered as that in graphene. Compared with graphene, where most of the heat is carried by the acoustic out-of-plane (ZA) phonon modes, the ZA phonon modes in silicene only have ∼10% contribution to the total thermal conductivity, which can also be attributed to the buckled structure. This systematic comparison of phonon transport and thermal conductivity of silicene and graphene using the first-principle-based calculations shed some light on other two-dimensional materials, such as two-dimensional transition metal dichalcogenides

  3. Dispersion, Speciation, and Pollution Assessment of Heavy Metals Pb and Zn in Surface Sediment from Disturbed Ecosystem of Jeneberang Waters

    Science.gov (United States)

    Najamuddin; Surahman

    2017-10-01

    Surface sediments were collected from seventeen stations in Jeneberang waters (riverine, estuarine, and marine). Lead (Pb) and zinc (Zn) concentrations were determined by atomic absorption spectrometry, and the speciation of metals was obtained by a sequential extraction procedure. Dispersion of Pb and Zn were found higher in the riverine and marine samples than the estuarine samples. Following speciation, the metals were found similar composition of fraction in the riverine and estuarine samples but any different in the marine samples. The results indicated that there is a change of dispersion pattern and speciation composition of metals due to the presence of the dam that lies at the boundary between the estuary and the river. The toxicity unit was indicated low toxicity level; pollution level was in weakly to moderately polluted while the aquatic environment risk attributed were no risky to light risk.

  4. Polymer binding to carbon nanotubes in aqueous dispersions: residence time on the nanotube surface as obtained by NMR diffusometry.

    Science.gov (United States)

    Frise, Anton E; Pagès, Guilhem; Shtein, Michael; Pri Bar, Ilan; Regev, Oren; Furó, István

    2012-03-08

    The binding of block copolymer Pluronic F-127 in aqueous dispersions of single- (SWCNT) and multiwalled (MWCNT) carbon nanotubes has been studied by pulsed-field-gradient (PFG) (1)H NMR spectroscopy. We show that a major fraction of polymers exist as a free species while a minor fraction is bound to the carbon nanotubes (CNT). The polymers exchange between these two states with residence times on the nanotube surface of 24 ± 5 ms for SWCNT and of 54 ± 11 ms for MWCNT. The CNT concentration in the solution was determined by improved thermal gravimetric analysis (TGA) indicating that the concentration of SWCNT dispersed by F-127 was significantly higher than that for MWCNT. For SWCNT, the area per adsorbed Pluronic F-127 molecule is estimated to be about 40 nm(2).

  5. Optical phonons in PbTe/CdTe multilayer heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Novikova, N. N.; Yakovlev, V. A. [Russian Academy of Sciences, Institute for Spectroscopy (Russian Federation); Kucherenko, I. V., E-mail: kucheren@sci.lebedev.ru [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation); Karczewski, G. [Polish Academy of Sciences, Institute of Physics (Poland); Aleshchenko, Yu. A.; Muratov, A. V.; Zavaritskaya, T. N.; Melnik, N. N. [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation)

    2015-05-15

    The infrared reflection spectra of PbTe/CdTe multilayer nanostructures grown by molecular-beam epitaxy are measured in the frequency range of 20–5000 cm{sup −1} at room temperature. The thicknesses and high-frequency dielectric constants of the PbTe and CdTe layers and the frequencies of the transverse optical (TO) phonons in these structures are determined from dispersion analysis of the spectra. It is found that the samples under study are characterized by two TO phonon frequencies, equal to 28 and 47 cm{sup −1}. The first frequency is close to that of TO phonons in bulk PbTe, and the second is assigned to the optical mode in structurally distorted interface layers. The Raman-scattering spectra upon excitation with the radiation of an Ar{sup +} laser at 514.5 nm are measured at room and liquid-nitrogen temperatures. The weak line at 106 cm{sup −1} observed in these spectra is attributed to longitudinal optical phonons in the interface layers.

  6. Finite-difference modeling and dispersion analysis of high-frequency love waves for near-surface applications

    Science.gov (United States)

    Luo, Y.; Xia, J.; Xu, Y.; Zeng, C.; Liu, J.

    2010-01-01

    Love-wave propagation has been a topic of interest to crustal, earthquake, and engineering seismologists for many years because it is independent of Poisson's ratio and more sensitive to shear (S)-wave velocity changes and layer thickness changes than are Rayleigh waves. It is well known that Love-wave generation requires the existence of a low S-wave velocity layer in a multilayered earth model. In order to study numerically the propagation of Love waves in a layered earth model and dispersion characteristics for near-surface applications, we simulate high-frequency (>5 Hz) Love waves by the staggered-grid finite-difference (FD) method. The air-earth boundary (the shear stress above the free surface) is treated using the stress-imaging technique. We use a two-layer model to demonstrate the accuracy of the staggered-grid modeling scheme. We also simulate four-layer models including a low-velocity layer (LVL) or a high-velocity layer (HVL) to analyze dispersive energy characteristics for near-surface applications. Results demonstrate that: (1) the staggered-grid FD code and stress-imaging technique are suitable for treating the free-surface boundary conditions for Love-wave modeling, (2) Love-wave inversion should be treated with extra care when a LVL exists because of a lack of LVL information in dispersions aggravating uncertainties in the inversion procedure, and (3) energy of high modes in a low-frequency range is very weak, so that it is difficult to estimate the cutoff frequency accurately, and "mode-crossing" occurs between the second higher and third higher modes when a HVL exists. ?? 2010 Birkh??user / Springer Basel AG.

  7. BaTiO3–P(VDF-HFP) nanocomposite dielectrics—Influence of surface modification and dispersion additives

    International Nuclear Information System (INIS)

    Ehrhardt, Claudia; Fettkenhauer, Christian; Glenneberg, Jens; Münchgesang, Wolfram; Pientschke, Christoph; Großmann, Thomas; Zenkner, Mandy; Wagner, Gerald; Leipner, Hartmut S.; Buchsteiner, Alexandra; Diestelhorst, Martin; Lemm, Sebastian; Beige, Horst; Ebbinghaus, Stefan G.

    2013-01-01

    Highlights: • Polymer composites were prepared using a sol–gel synthesized BaTiO 3 . • BaTiO 3 surface hydroxyle groups act as linkers for surfactant molecules. • The effect of chemical adjustment between surfactant and polymer host is studied. • A positive effect of an additional dispersant was found. • Dielectric properties of the resulting composite films are presented. -- Abstract: We report on BaTiO 3 –polymer composites as dielectrics for film capacitors. BaTiO 3 was synthesized by a sol–gel soft-chemistry method leading to spherical nanoparticles with a high degree of surface hydroxyl groups which turned out to be important for the bonding of surfactant molecules. As surfactants, n-octylphosphonic acid and 2,3,4,5,6-pentafluorobenzyl phosphonic acid were used to inhibit particle agglomeration and to improve the wetting behaviour with the polymer. The phosphonic acid-coated BaTiO 3 nanoparticles were dispersed in solutions of poly(vinylidefluoride-co-hexafluoropropylene). Composite films were prepared by the spin-coating technique. A systematic study was performed on the influence of varying oxide fractions, different surfactants and the effect of additional dispersion aids such as sodium dodecyl sulphate or BYK-W 9010 on the quality and dielectric properties of the films obtained. The chemical adjustment of the 2,3,4,5,6-pentaflourobenzyl phosphonic acid within the fluorinated organic host form a more uniform particle distribution and increase relative permittivity of the resulting composite material compared to the unflourinated surfactant. Additionally, an enhancement of the relative permittivity can be realized by adding of dispersants. These two components can increase the relative permittivity by factor 5 compared to the pure polymer material

  8. Phonons from neutron powder diffraction

    Science.gov (United States)

    Dimitrov, D. A.; Louca, D.; Röder, H.

    1999-09-01

    The spherically averaged structure function S(\\|q\\|) obtained from pulsed neutron powder diffraction contains both elastic and inelastic scattering via an integral over energy. The Fourier transformation of S(\\|q\\|) to real space, as is done in the pair density function (PDF) analysis, regularizes the data, i.e., it accentuates the diffuse scattering. We present a technique which enables the extraction of off-center (\\|q\\|≠0) phonon information from powder diffraction experiments by comparing the experimental PDF with theoretical calculations based on standard interatomic potentials and the crystal symmetry. This procedure [dynamics from powder diffraction] has been successfully implemented as demonstrated here for two systems, a simple metal fcc Ni and an ionic crystal CaF2. Although computationally intensive, this data analysis allows for a phonon based modeling of the PDF, and additionally provides off-center phonon information from neutron powder diffraction.

  9. Electron-phonon coupling of the actinide metals

    DEFF Research Database (Denmark)

    Skriver, H. L.; Mertig, I.

    1985-01-01

    The authors have estimated the strength of the electron-phonon coupling in Fr and Ra plus the light actinides Ac through Pu. The underlying self-consistent band-structure calculations were performed by the scalar relativistic linear-muffin-tin-orbital method including l quantum numbers s through g......, and the electron-phonon parameters were obtained within the rigid-atomic-sphere approximation. The electron-phonon coupling in Fr through Th is found to be dominated by pd and df scattering and in Pa through Pu by pd and fg scattering. At the equilibrium volumes and as a function of atomic number, the electron...... be related to the changeover from an s-to- d to an s-to-f electronic transition and a related change in the topology of the Fermi surface...

  10. First principles phonon calculations in materials science

    OpenAIRE

    Togo, Atsushi; Tanaka, Isao

    2015-01-01

    Phonon plays essential roles in dynamical behaviors and thermal properties, which are central topics in fundamental issues of materials science. The importance of first principles phonon calculations cannot be overly emphasized. Phonopy is an open source code for such calculations launched by the present authors, which has been world-widely used. Here we demonstrate phonon properties with fundamental equations and show examples how the phonon calculations are applied in materials science.

  11. Dynamic homogenization in the Nonlocal and Local regimes for a phononic superlattice: Resonant elastic metamaterial

    Directory of Open Access Journals (Sweden)

    J. Flores Méndez

    Full Text Available In this paper, we shall propose an elastic metamaterial based on a specific rubber/aluminum superlattice. We will calculate the frequency-dependent effective mass density and transverse elastic constant in the Local and Nonlocal homogenization regimes. Using the effective dynamic parameters, the phononic dispersion calculations of the homogenized elastic crystal show a second pass band for transverse modes where the superlattice behaves as a double-negative elastic metamaterial having simultaneously negative effective mass density and shear modulus. Which is very useful for designing resonant elastic metamaterials. Keywords: Metamaterial, Phononic crystal, Homogenization theory, Effective parameters, Dispersion relation

  12. Phonon-magnon resonant processes with relevance to acoustic spin pumping

    KAUST Repository

    Deymier, P. A.

    2014-12-23

    The recently described phenomenon of resonant acoustic spin pumping is due to resonant coupling between an incident elastic wave and spin waves in a ferromagnetic medium. A classical one-dimensional discrete model of a ferromagnet with two forms of magnetoelastic coupling is treated to shed light on the conditions for resonance between phonons and magnons. Nonlinear phonon-magnon interactions in the case of a coupling restricted to diagonal terms in the components of the spin degrees of freedom are analyzed within the framework of the multiple timescale perturbation theory. In that case, one-phonon-two-magnon resonances are the dominant mechanism for pumping. The effect of coupling on the dispersion relations depends on the square of the amplitude of the phonon and magnon excitations. A straightforward analysis of a linear phonon-magnon interaction in the case of a magnetoelastic coupling restricted to off-diagonal terms in the components of the spins shows a one-phonon to one-magnon resonance as the pumping mechanism. The resonant dispersion relations are independent of the amplitude of the waves. In both cases, when an elastic wave with a fixed frequency is used to stimulate magnons, application of an external magnetic field can be used to approach resonant conditions. Both resonance conditions exhibit the same type of dependency on the strength of an applied magnetic field.

  13. Phonon thermal properties of graphene from molecular dynamics using different potentials.

    Science.gov (United States)

    Zou, Ji-Hang; Ye, Zhen-Qiang; Cao, Bing-Yang

    2016-10-07

    Phonon thermal transport in graphene has attracted significant interest in recent years. Phonon thermal properties of graphene are investigated by molecular dynamics simulations using the Tersoff, Tersoff-2010, REBO, and AIREBO potentials. By calculating the phonon properties and thermal conductivity of graphene, the performance of the potentials is evaluated based on comparisons with experimental data. It shows that the Tersoff-2010 and REBO display better dispersion curves for graphene than the original Tersoff and AIREBO. The Tersoff-2010 correctly provides the Γ point phonon velocities of the LA and TA branches as well as the G peak frequency with a value of 46 THz. In addition, the acoustic phonon relaxation time derived from the Tersoff-2010 satisfies the ideal relation "τ -1 ∝ ν 2 ." It is also found that the Tersoff-2010 provides the highest graphene thermal conductivity among the used potentials, and estimates about 30.0% contribution for flexural phonons to the total thermal conductivity. By comparison, the Tersoff-2010 potential is demonstrated to be the most suitable one to describe the phonon thermal properties of graphene.

  14. Geometric tuning of thermal conductivity in three-dimensional anisotropic phononic crystals.

    Science.gov (United States)

    Wei, Zhiyong; Wehmeyer, Geoff; Dames, Chris; Chen, Yunfei

    2016-10-07

    Molecular dynamics simulations are performed to investigate the thermal transport properties of a three-dimensional (3D) anisotropic phononic crystal consisting of silicon nanowires and films. The calculation shows that the in-plane thermal conductivity is negatively correlated with the out-of-plane thermal conductivity upon making geometric changes, whether varying the nanowire diameter or the film thickness. This enables the anisotropy ratio of thermal conductivity to be tailored over a wide range, in some cases by more than a factor of 20. Similar trends in thermal conductivity are also observed from an independent phonon ray tracing simulation considering only diffuse boundary scattering effects, though the range of anisotropy ratios is smaller than that obtained in MD simulation. By analyzing the phonon dispersion relation with varied geometric parameters, it is found that increasing the nanowire diameter increases the out-of-plane acoustic phonon group velocities, but reduces the in-plane longitudinal and fast transverse acoustic phonon group velocities. The calculated phonon irradiation further verified the negative correlation between the in-plane and the out-of-plane thermal conductivity. The proposed 3D phononic crystal may find potential application in thermoelectrics, energy storage, catalysis and sensing applications owing to its widely tailorable thermal conductivity.

  15. Dispersive Surface Energy and Acid-Base Parameters of Tosylate Functionalized Poly(ethylene glycol via Inverse Gas Chromatography

    Directory of Open Access Journals (Sweden)

    Feyza Sesigur

    2014-01-01

    Full Text Available An inverse gas chromatographic (IGC study of the sorption properties of poly(ethylene glycol modified with tosylate (PEG-TOS was presented. PEG-TOS was synthesized via the tosylation of the corresponding poly(ethylene glycol (PEG with p-toluenesulfonyl chloride in the basic medium. The synthesized PEG-Tos was characterized by FTIR-ATR and 1HNMR techniques. The retention diagrams of n-hexane, n-heptane, n-octane, n-nonane, n-decane, dichloromethane, chloroform, acetone, tetrahydrofuran, ethyl acetate, and ethanol on the PEG and PEG-Tos were plotted at temperatures in K between 303 and 373 by inverse gas chromatography technique. The dispersive component of the surface-free energy, γSD, of studied adsorbent surface was estimated using retention times of different nonpolar organics in the infinite dilution region. Thermodynamic parameters of adsorption (free energy, ΔGAS, enthalpy, ΔHAS, and entropy, ΔSAS, dispersive components of the surface energies, γSD, and the acid, KA, and base, KD, constants for the PEG and PEG-Tos were calculated and the results were discussed.

  16. Bacteria hold their breath upon surface contact as shown in a strain of Escherichia coli, using dispersed surfaces and flow cytometry analysis.

    Directory of Open Access Journals (Sweden)

    Jing Geng

    Full Text Available Bacteria are ubiquitously distributed throughout our planet, mainly in the form of adherent communities in which cells exhibit specific traits. The mechanisms underpinning the physiological shift in surface-attached bacteria are complex, multifactorial and still partially unclear. Here we address the question of the existence of early surface sensing through implementation of a functional response to initial surface contact. For this purpose, we developed a new experimental approach enabling simultaneous monitoring of free-floating, aggregated and adherent cells via the use of dispersed surfaces as adhesive substrates and flow cytometry analysis. With this system, we analyzed, in parallel, the constitutively expressed GFP content of the cells and production of a respiration probe--a fluorescent reduced tetrazolium ion. In an Escherichia coli strain constitutively expressing curli, a major E. coli adhesin, we found that single cell surface contact induced a decrease in the cell respiration level compared to free-floating single cells present in the same sample. Moreover, we show here that cell surface contact with an artificial surface and with another cell caused reduction in respiration. We confirm the existence of a bacterial cell "sense of touch" ensuring early signalling of surface contact formation through respiration down modulation.

  17. Analysis of Bending Waves in Phononic Crystal Beams with Defects

    Directory of Open Access Journals (Sweden)

    Yongqiang Guo

    2018-01-01

    Full Text Available Existing investigations on imperfect phononic crystal beams mainly concern periodic multi-span beams carrying either one or two channel waves with random or deterministic disorder in span-length. This paper studies the two channel bending waves in phononic crystal beams consisting of many phases of materials with defects introduced as one structural segment having different cross-sectional dimensions or material parameters. The method of reverberation-ray matrix (MRRM based on the Timoshenko beam theory, which can conduct high-frequency analysis, is extended for the theoretical analysis of dispersion and transmission of bending waves. The supercell technique and the Floquet–Bloch theorem are adopted for modeling the dispersion characteristics, and the whole finite structural model is used to calculate the transmission spectra. Experimental measurements and numerical calculations are provided to validate the displacement transmission obtained by the proposed MRRM, with the effect of damping on transmission spectra being concerned. The high-frequency calculation applicability of the proposed MRRM is also confirmed by comparing the present results with the corresponding ones either using the transfer matrix method (TMM or MRRM based on Euler—Bernoulli beam theory. The influences of defect size, defect form, and unit-cell number on the transmission spectra and the band structures are discussed. The drawn conclusions may be useful for designing or evaluating the defected phononic crystal beams in bending wave control. In addition, our conclusions are especially potential for identifying the defect location through bending wave signals.

  18. Phonons in Solid Hydrogen and Deuterium Studied by Inelastic Coherent Neutron Scattering

    DEFF Research Database (Denmark)

    Nielsen, Mourits

    1973-01-01

    Phonon dispersion relations have been measured by coherent neutron scattering in solid para-hydrogen and ortho-deuterium. The phonon energies are found to be nearly equal in the two solids, the highest energy in each case lying close to 10 meV. The pressure and temperature dependence of the phonon...... energies have been measured in ortho-deuterium and the lattice change determined by neutron diffraction. When a pressure of 275 bar is applied, the phonon energies are increased by about 10%, and heating the crystal to near the melting point decreases them by about 7%. The densities of states, the specific...... heats, and the Debye temperatures have been deduced and found to be in agreement with the published experimental results. The Debye temperatures are 118 K for hydrogen and 114 K for deuterium. For hydrogen the Debye-Waller factor has been measured by incoherent neutron scattering and it corresponds...

  19. Theory of generation of angular momentum of phonons by heat current and its conversion to spins

    Science.gov (United States)

    Hamada, Masato; Murakami, Shuichi

    Spin-rotation coupling in crystals will enable us to convert between spin current and mechanical rotations, as has been studied in surface acoustic waves, in liquid metals, and in carbon nanotubes. In this presentation we focus on angular momentum of phonons. In nonmagnetic crystals without inversion symmetry, we theoretically demonstrate that phonon modes generally have angular momenta depending on their wave vectors. In equilibrium the sum of the angular momenta is zero. On the other hand, if a heat current flows in the crystal, nonequilibrium phonon distribution leads to nonzero total angular momentum of phonons. It can be observed as a rotation of crystal itself, and as a spin current induced by these phonons via the spin-rotation coupling.

  20. Electron-phonon coupling of light-actinides. Effect of spin-orbit coupling

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez-Castelazo, Paola; Pena-Seaman, Omar de la [Benemerita Universidad Autonoma de Puebla (BUAP), Institute of Physics (IFUAP) (Mexico); Heid, Rolf; Bohnen, Klaus-Peter [Karlsruher Institut fuer Technologie (KIT), Institut fuer Festkoerperphysik (IFP) (Germany)

    2014-07-01

    The physics of actinide metals is quite complex and rich due to the behavior of 5f electrons in the valence region: it goes from itinerant on the early stages of the actinide series to highly localized for the elements with a higher number of 5f electrons involved. In addition, in this systems should be mandatory the inclusion of spin-orbit coupling (SOC). However, only in few cases on electronic and lattice dynamical properties the SOC has been taking into account, while for the electron-phonon (e-ph) coupling such analysis has not been performed so far. Thus, as a first approach we have systematically studied the SOC influence on the full-phonon dispersion and the e-ph coupling for the simplest light-actinide metals: Ac and Th. These elements have been studied within the framework of density functional perturbation theory, using a mixed-basis pseudopotential method. The full-phonon dispersion as well as the Eliashberg spectral function and the electron-phonon coupling parameter have been calculated with and without SOC. The observed effects of SOC in the full-phonon dispersion and Eliashberg function are discussed in detail, together with an analysis of the differences on the electronic properties due to the SOC inclusion in the calculations.

  1. Interaction of non-equilibrium phonons with electron-hole plasmas in germanium

    International Nuclear Information System (INIS)

    Kirch, S.J.

    1985-01-01

    This thesis presents results of experiments on the interaction of phonons and photo-excited electron-hole plasmas in Ge at low temperature. The first two studies involved the low-temperature fluid phase known as the electron-hole liquid (EHL). The third study involved a wider range of temperatures and includes the higher temperature electron-hole plasma (EHP). In the first experiment, superconducting tunnel junctions are used to produce quasi-monochromatic phonons, which propagate through the EHL. The magnitude of the absorption of these non-equilibrium phonons gives a direct measure of the coupling constant, the deformation potential. In the second experiment, the nonequilibrium phonons are generated by laser excitation of a metal film. An unusual sample geometry allows examination of the EHL-phonon interaction near the EHL excitation surface. This coupling is examined for both cw and pulsed EHL excitation. In the third experiment, the phonons are byproducts of the photo-excited carrier thermalization. The spatial, spectral and temporal dependence of the recombination luminescence is examined. A phonon wind force is observed to dominate the transport properties of the EHL and the EHP. These carriers are never observed to move faster than the phonon velocity even during the laser pulse

  2. Band structures in Sierpinski triangle fractal porous phononic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Kai; Liu, Ying, E-mail: yliu5@bjtu.edu.cn; Liang, Tianshu

    2016-10-01

    In this paper, the band structures in Sierpinski triangle fractal porous phononic crystals (FPPCs) are studied with the aim to clarify the effect of fractal hierarchy on the band structures. Firstly, one kind of FPPCs based on Sierpinski triangle routine is proposed. Then the influence of the porosity on the elastic wave dispersion in Sierpinski triangle FPPCs is investigated. The sensitivity of the band structures to the fractal hierarchy is discussed in detail. The results show that the increase of the hierarchy increases the sensitivity of ABG (Absolute band gap) central frequency to the porosity. But further increase of the fractal hierarchy weakens this sensitivity. On the same hierarchy, wider ABGs could be opened in Sierpinski equilateral triangle FPPC; whilst, a lower ABG could be opened at lower porosity in Sierpinski right-angled isosceles FPPCs. These results will provide a meaningful guidance in tuning band structures in porous phononic crystals by fractal design.

  3. Coupling between the Magnetic Excitations and the Phonons in Praseodymium

    DEFF Research Database (Denmark)

    Jensen, J.

    1976-01-01

    The dispersion relation of the magnetic excitations of the hexagonal ions in DHCP Pr and the selection rules for the linear coupling to the phonons are determined by general symmetry considerations. The magnetic excitations propagating in the symmetry directions are considered in the cases...... of an external magnetic field applied along an a and a b direction. The magnetic excitations are approximated by pseudo-boson excitations of the spin sub-space, J=4, MJ=0 and +or-1, and the presence of the ions on the cubic sites is neglected. The selection rules deduced agree with experimental observations....... The experimental result for the strength of the exciton-phonon interaction is used in an estimate of the effects of an applied field on the elastic constants of Pr at zero temperature....

  4. Lumped model for rotational modes in phononic crystals

    KAUST Repository

    Peng, Pai

    2012-10-16

    We present a lumped model for the rotational modes induced by the rotational motion of individual scatterers in two-dimensional phononic crystals comprised of square arrays of solid cylindrical scatterers in solid hosts. The model provides a physical interpretation of the origin of the rotational modes, reveals the important role played by the rotational motion in determining the band structure, and reproduces the dispersion relations in a certain range. The model increases the possibilities of manipulating wave propagation in phononic crystals. In particular, expressions derived from the model for eigenfrequencies at high symmetry points unambiguously predict the presence of a new type of Dirac-like cone at the Brillouin center, which is found to be the result of accidental degeneracy of the rotational and dipolar modes.

  5. Observation of cyclotron resonance and electron-phonon coupling in surface states of the bulk-insulating topological insulator Cu0.02Bi2Se3

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Liang [Johns Hopkins Univ., Baltimore, MD (United States). The Inst. of Quantum Matter; Tse, Wang-Kong [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Morris, C. M. [Johns Hopkins Univ., Baltimore, MD (United States). The Inst. of Quantum Matter; Brahlek, M. [Rutgers Univ., Piscataway, NJ (United States). Dept. of Physics and Astronomy; Koirala, N. [Rutgers Univ., Piscataway, NJ (United States). Dept. of Physics and Astronomy; Oh, S. [Rutgers Univ., Piscataway, NJ (United States). Dept. of Physics and Astronomy; Armitage, N. P. [Johns Hopkins Univ., Baltimore, MD (United States). The Inst. of Quantum Matter

    2015-02-05

    We have utilized magneto-optical time-domain spectroscopy to investigate the low frequency optical response of topological insulator Cu0.02Bi2Se3 and Bi2Se3 films. With both field and frequency depedence, such experiments give sufficient information to measure the mobility and carrier density of multiple conduction channels simultaneously. We observe sharp cyclotron resonances (CRs) in both samples. The small amount of Cu substitution into the Cu0.02Bi2Se3 induces a true bulk insulator with only a single conduction channel with total sheet carrier density 4.9 x 1012/cm2 and mobility as large as 4000 cm2/V s. This is consistent with pure topological surface state (TSSs) conduction with a chemical potential 150 meV above the Dirac point. Hence, a true topological insulator with an insulating bulk is realized. The CR broadens at high fields, an e ect that we attribute to an electron-phonon interaction. This assignment is supported by an extended Drude model analysis on the zero field data. In contrast to Cu0.02Bi2Se3, two charge channels were observed in normal Bi2Se3 films. We demonstrate a method to distinguish between the dominant TSSs and trivial bulk/2DEG states. The dominant channel exhibits a CR with a carrier density of ~2.0 x 1013/cm2 and mobility ~3200 cm2/V s, consistent with TSSs with a chemical potential ~350meV above the Dirac point.

  6. Phonon-Driven Oscillatory Plasmonic Excitonic Nanomaterials

    Energy Technology Data Exchange (ETDEWEB)

    Kirschner, Matthew S. [Department; Ding, Wendu [Department; Li, Yuxiu [Center; College; Chapman, Craig T. [Department; Lei, Aiwen [College; Lin, Xiao-Min [Center; Chen, Lin X. [Department; Chemical; Schatz, George C. [Department; Schaller, Richard D. [Department; Center

    2017-12-08

    We demonstrate that coherent acoustic phonons derived from plasmonic nanoparticles can modulate electronic interactions with proximal excitonic molecular species. A series of gold bipyramids with systematically varied aspect ratios and corresponding localized surface plasmon resonance energies, functionalized with a J-aggregated thiacarbocyanine dye molecule, produce two hybridized states that exhibit clear anti-crossing behavior with a Rabi splitting energy of 120 meV. In metal nanoparticles, photoexcitation generates coherent acoustic phonons that cause oscillations in the plasmon resonance energy. In the coupled system, these photo-generated oscillations alter the metal nanoparticle’s energetic contribution to the hybridized system and, as a result, change the coupling between the plasmon and exciton. We demonstrate that such modulations in the hybridization is consistent across a wide range of bipyramid ensembles. We also use Finite-Difference Time Domain calculations to develop a simple model describing this behavior. Such oscillatory plasmonic-excitonic nanomaterials (OPENs) offer a route to manipulate and dynamically-tune the interactions of plasmonic/excitonic systems and unlock a range of potential applications.

  7. Comparison of surface meteorological data representativeness for the Weldon Spring transport and dispersion modeling analysis

    International Nuclear Information System (INIS)

    Lazaro, M.

    1989-06-01

    The US Department of Energy is conducting the Weldon Spring Site Remedial Action Project under the Surplus Facilities Management Program (SFMP). The major goals of the SFMP are to eliminate potential hazards to the public and the environment that associated with contamination at SFMP sites and to make surplus property available for other uses to the extent possible. This report presents the results of analysis of available meteorological data from stations near the Weldon Spring site. Data that are most representative of site conditions are needed to accurately model the transport and dispersion of air pollutants associated with remedial activities. Such modeling will assist the development of mitigative measures. 17 refs., 12 figs., 6 tabs

  8. A characteristic function to estimate the longitudinal dispersion coefficient in surface water flows over porous media

    Science.gov (United States)

    Nofuentes, M.; Polo, M. J.

    2012-04-01

    One-dimensional modelling of solute transport in shallow water flows relies on an accurate approximation of the longitudinal dispersion coefficient, E, especially under transient conditions of the water flow during the solute residence time. Previous approaches have used expressions (e.g., the Rutherford equation) that allow the inclusion of spatiotemporal variability of E during the transport process, but their accuracy is reduced in marked transient regimes since the data were obtained from experimental work in rivers. This work proposes a different approach from experimental work with slow, shallow flows over porous media in fertigation essays, and provides us with a simple, parametric sigmoid function to estimate a priori effective values of E from simple measurements of flow characteristics and variables. The results have been successfully validated and compared to the Rutherford equation approach. Furthermore, the methodology to develop this characteristic function can be easily adapted for application in other practical cases.

  9. Effect of phonon transport on the Seebeck coefficient and thermal conductivity of silicon nanowire arrays

    Science.gov (United States)

    Sadhu, Jyothi Swaroop

    Thermoelectrics enable solid-state conversion of heat to electricity by the Seebeck effect, but must provide scalable and cost-effective technology for practical waste heat harvesting. This dissertation explores the thermoelectric properties of electrochemically etched silicon nanowires through experiments, complemented by charge and thermal transport theories. Electrolessly etched silicon nanowires show anomalously low thermal conductivity that has been attributed to the increased scattering of heat conducting phonons from the surface disorder introduced by etching. The reduction is below the incoherent limit for phonon scattering at the boundary, the so-called Casimir limit. A new model of partially coherent phonon transport shows that correlated multiple scattering of phonons off resonantly matched rough surfaces can indeed lead to thermal conductivity below the Casimir limit. Using design guidelines from the theory, silicon nanowires of controllable surface roughness are fabricated using metal-assisted chemical etching. Extensive characterization of the nanowire surfaces using transmission electron microscopy provides surface roughness parameters that are important in testing transport theories. The second part of the dissertation focuses on the implications of increased phonon scattering on the Seebeck coefficient, which is a cumulative effect of non-equilibrium amongst charge carriers and phonons. A novel frequency-domain technique enables simultaneous measurements of the Seebeck coefficient and the thermal conductivity of nanowire arrays. The frequency response measurements isolate the parasitic contributions thus improving upon existing techniques for cross-plane thermoelectric measurements. While the thermal conductivity of nanowires reduces significantly with increased roughness, there is also a significant reduction in the Seebeck coefficient over a wide range of doping. Theoretical fitting of the data reveals that such reduction results from the

  10. Steepest entropy ascent quantum thermodynamic model of electron and phonon transport

    Science.gov (United States)

    Li, Guanchen; von Spakovsky, Michael R.; Hin, Celine

    2018-01-01

    An advanced nonequilibrium thermodynamic model for electron and phonon transport is formulated based on the steepest-entropy-ascent quantum thermodynamics framework. This framework, based on the principle of steepest entropy ascent (or the equivalent maximum entropy production principle), inherently satisfies the laws of thermodynamics and mechanics and is applicable at all temporal and spatial scales even in the far-from-equilibrium realm. Specifically, the model is proven to recover the Boltzmann transport equations in the near-equilibrium limit and the two-temperature model of electron-phonon coupling when no dispersion is assumed. The heat and mass transport at a temperature discontinuity across a homogeneous interface where the dispersion and coupling of electron and phonon transport are both considered are then modeled. Local nonequilibrium system evolution and nonquasiequilibrium interactions are predicted and the results discussed.

  11. Phonon Spectrum Engineering in Rolled-up Micro- and Nano-Architectures

    Directory of Open Access Journals (Sweden)

    Vladimir M. Fomin

    2015-10-01

    Full Text Available We report on a possibility of efficient engineering of the acoustic phonon energy spectrum in multishell tubular structures produced by a novel high-tech method of self-organization of micro- and nano-architectures. The strain-driven roll-up procedure paved the way for novel classes of metamaterials such as single semiconductor radial micro- and nano-crystals and multi-layer spiral micro- and nano-superlattices. The acoustic phonon dispersion is determined by solving the equations of elastodynamics for InAs and GaAs material systems. It is shown that the number of shells is an important control parameter of the phonon dispersion together with the structure dimensions and acoustic impedance mismatch between the superlattice layers. The obtained results suggest that rolled up nano-architectures are promising for thermoelectric applications owing to a possibility of significant reduction of the thermal conductivity without degradation of the electronic transport.

  12. Surfactant-free carnauba wax dispersion and its use for layer-by-layer assembled protective surface coatings on wood

    Energy Technology Data Exchange (ETDEWEB)

    Lozhechnikova, Alina [Department of Forest Products Technology, School of Chemical Technology, Aalto University, P.O. Box 16300, FI-00076, Aalto (Finland); Bellanger, Hervé; Michen, Benjamin; Burgert, Ingo [Institute for Building Materials (IfB), Wood Materials Science, ETH Zürich, Stefano-Franscini-Platz 3, 8093 Zürich (Switzerland); Applied Wood Materials Laboratory, Empa − Swiss Federal Laboratories for Material Testing and Research, 8600 Dübendorf (Switzerland); Österberg, Monika, E-mail: monika.osterberg@aalto.fi [Department of Forest Products Technology, School of Chemical Technology, Aalto University, P.O. Box 16300, FI-00076, Aalto (Finland)

    2017-02-28

    Highlights: • A facile sonication route to produce aqueous wax dispersions is developed. • The wax dispersion is naturally stable and free of surfactants or stabilizers. • Wax and ZnO particles are coated onto wood using layer-by-layer assembly. • The coating brings superhydrophobicity while preserving moisture buffering. • ZnO improves the color stability of wood to UV light. - Abstract: Protection from liquid water and UV radiation are equally important, and a sophisticated approach is needed when developing surface coatings that preserve the natural and well-appreciated aesthetic appearance of wood. In order to prevent degradation and prolong the service life of timber, a protective coating was assembled using carnauba wax particles and zinc oxide nanoparticles via layer-by-layer deposition in water. For this purpose, a facile sonication route was developed to produce aqueous wax dispersion without any surfactants or stabilizers. The suspension was stable above pH 4 due to the electrostatic repulsion between the negatively charged wax particles. The particle size could be controlled by the initial wax concentration with average particle sizes ranging from 260 to 360 nm for 1 and 10 g/L, respectively. The deposition of wax particles onto the surface of spruce wood introduced additional roughness to the wood surface at micron level, while zinc oxide provided nano roughness and UV-absorbing properties. In addition to making wood superhydrophobic, this novel multilayer coating enhanced the natural moisture buffering capability of spruce. Moreover, wood surfaces prepared in this fashion showed a significant reduction in color change after exposure to UV light. A degradation of the wax through photocatalytic activity of the ZnO particles was measured by FTIR, indicating that further studies are required to achieve long-term stability. Nevertheless, the developed coating showed a unique combination of superhydrophobicity and excellent moisture buffering

  13. Accidental degeneracy of double Dirac cones in a phononic crystal

    KAUST Repository

    Chen, Ze-Guo

    2014-04-09

    Artificial honeycomb lattices with Dirac cone dispersion provide a macroscopic platform to study the massless Dirac quasiparticles and their novel geometric phases. In this paper, a quadruple-degenerate state is achieved at the center of the Brillouin zone in a two-dimensional honeycomb lattice phononic crystal, which is a result of accidental degeneracy of two double-degenerate states. In the vicinity of the quadruple-degenerate state, the dispersion relation is linear. Such quadruple degeneracy is analyzed by rigorous representation theory of groups. Using method, a reduced Hamiltonian is obtained to describe the linear Dirac dispersion relations of this quadruple-degenerate state, which is well consistent with the simulation results. Near such accidental degeneracy, we observe some unique properties in wave propagating, such as defect-insensitive propagating character and the Talbot effect.

  14. The Riemann surface of static limit dispersion relation and projective spaces

    International Nuclear Information System (INIS)

    Majewski, M.; Meshcheryakov, V.A.; Meshcheryakov, D.V.; Tran Quang Tuyet

    2004-01-01

    The rigorous Bogolyubov's proof of the dispersion relations (DR) for pion-nucleon scattering is a good foundation for the static models. DR contain a small parameter (ratio of the pion-nucleon masses). The static models arise when this parameter goes to zero. The S-matrix in the static models has a block structure. Each block of the S-matrix has a finite order NxN and is a matrix of meromorphic functions of the light particle energy ω in the complex plane with cuts (-∞, -1], [+1,+∞). In the elastic case, it reduces to N functions S i (ω) connected by the NxN crossing-symmetry matrix A. The unitarity and the crossing symmetry are the base for the system of nonlinear boundary value problems. It defines the analytical continuation of S i (ω) from the physical sheet to the unphysical ones and can be treated as a system of nonlinear difference equations. The problem is solvable for any 2x2 crossing-symmetry matrix A that permits one to calculate the Regge trajectories for the SU(2) static model. It is shown that global analyses of this system can be carried out effectively in projective spaces P N-1 and P N . The connection between the spaces P N-1 and P N is discussed. Some particular solutions of the system are found

  15. Microstructures of alloyed and dispersed hard particles in the aluminium surface

    CSIR Research Space (South Africa)

    Pityana, S

    2010-03-01

    Full Text Available Laser surface alloying of A1200 aluminium alloy was carried out using a 4.4 kW Nd:YAG laser. Powder mixtures of SiC and TiC hard particles were injected into the laser generated melt pool on the aluminium substrate using a commercial powder feeder...

  16. Roles for Cell Wall Glycopeptidolipid in Surface Adherence and Planktonic Dispersal of Mycobacterium avium

    Science.gov (United States)

    The opportunistic pathogen Mycobacterium avium is a significant inhabitant of biofilms in drinking water distribution systems. M. avium expresses on its cell surface serovar-specific glycopeptidolipids (ssGPLs). Studies have implicated the core GPL in biofilm formation by M. aviu...

  17. Lattice instability and soft phonons in single-crystal La/sub 2-//sub x/Sr/sub x/CuO4

    International Nuclear Information System (INIS)

    Boeni, P.; Axe, J.D.; Shirane, G.

    1988-01-01

    The dispersion of the low-lying phonon branches of several doped and undoped single crystals of La/sub 2-//sub x/Sr/sub x/CuO 4 have been investigated by using inelastic-neutron-scattering techniques. The zone-center modes are in good agreement with Raman measurements. The reported peaks in the phonon density of states show up at energies that correspond to extrema in the dispersion curves of the transverse and longitudinal acoustic branches near the zone boundary. The tetragonal-to-orthorhombic phase transition is caused by a softening of transverse-optic-phonon mode at the X point. The rotational nature of the soft mode leads to moderate weak electron-phonon coupling and the mode is unlikely to enhance significantly conventional phonon mediated superconductivity. We did not observe any evidence for the predicted breathing-mode instability near the zone boundary

  18. The triple-axis neutron spectrometer KANDI III and measurement of phonons in copper

    International Nuclear Information System (INIS)

    Melamud, M.; Pinto, H.; Shaked, H.

    1976-12-01

    The acoustic phonon dispersion relations of copper were measured using the recently installed triple-axis neutron spectrometer KANDI III. A description of KANDI III and its peripherals is given in this work. The theory of dispersion relations and their measurement using neutron inelastic diffraction are briefly discussed. Raw data and results for copper are presented and compared with the data and results found in the literature

  19. Hydrodynamic phonon drift and second sound in a (20,20) single-wall carbon nanotube

    International Nuclear Information System (INIS)

    Lee, Sangyeop; Lindsay, Lucas

    2017-01-01

    Here, two hydrodynamic features of phonon transport, phonon drift and second sound, in a (20,20) single wall carbon nanotube (SWCNT) are discussed using lattice dynamics calculations employing an optimized Tersoff potential for atomic interactions. We formally derive a formula for the contribution of drift motion of phonons to total heat flux at steady state. It is found that the drift motion of phonons carry more than 70% and 90% of heat at 300 K and 100 K, respectively, indicating that phonon flow can be reasonably approximated as hydrodynamic if the SWCNT is long enough to avoid ballistic phonon transport. The dispersion relation of second sound is derived from the Peierls-Boltzmann transport equation with Callaway s scattering model and quantifies the speed of second sound and its relaxation. The speed of second sound is around 4000 m/s in a (20,20) SWCNT and the second sound can propagate more than 10 m in an isotopically pure (20,20) SWCNT for frequency around 1 GHz at 100 K.

  20. Phonon scattering limited performance of monolayer MoS2 and WSe2 n-MOSFET

    Directory of Open Access Journals (Sweden)

    Amretashis Sengupta

    2015-02-01

    Full Text Available In this paper we show the effect of electron-phonon scattering on the performance of monolayer (1L MoS2 and WSe2 channel based n-MOSFETs. Electronic properties of the channel materials are evaluated using the local density approximation (LDA in density functional theory (DFT. For phonon dispersion we employ the small displacement / frozen phonon calculations in DFT. Thereafter using the non-equilibrium Green’s function (NEGF formalism, we study the effect of electron-phonon scattering and the contribution of various phonon modes on the performance of such devices. It is found that the performance of the WSe2 device is less impacted by phonon scattering, showing a ballisticity of 83% for 1L-WSe2 FET for channel length of 10 nm. Though 1L-MoS2 FET of similar dimension shows a lesser ballisticity of 75%. Also in the presence of scattering there exist a a 21–36% increase in the intrinsic delay time (τ and a 10–18% reduction in peak transconductance (gm for WSe2 and MoS2 devices respectively.

  1. Surface chemistry of water-dispersed detonation nanodiamonds modified by atmospheric DC plasma afterglow

    Czech Academy of Sciences Publication Activity Database

    Štenclová, Pavla; Celedova, V.; Artemenko, Anna; Jirásek, Vít; Jíra, Jaroslav; Rezek, B.; Kromka, Alexander

    2017-01-01

    Roč. 7, č. 62 (2017), s. 38973-38980 ISSN 2046-2069 R&D Projects: GA ČR GA15-01687S Institutional support: RVO:68378271 Keywords : diamond nanoparticles * explosive detonation * barrier discharge * absorption * oxidation Subject RIV: BL - Plasma and Gas Discharge Physics OBOR OECD: Fluids and plasma physics (including surface physics) Impact factor: 3.108, year: 2016

  2. What is the surface specific area of porous cement-based material? A nuclear magnetic relaxation dispersion approach.

    Science.gov (United States)

    Barberon, F; Korb, J-P; Petit, D; Morin, V; Bermejo, E

    2003-01-01

    We propose a new NMR method to measure and follow the evolution of the surface specific area, Sp, of a porous cement-based material. This method, that does not require any preliminary drying process, uses nuclear magnetic relaxation dispersion (NMRD), the measurement of spin-lattice relaxation rate as a function of magnetic field strength or nuclear Larmor frequency. The method is applied for three different mortars samples prepared by mixing cement, sand, silica fume, water and superplasticizer with a water to cement ratio w/c=0.25, 0.38 and 0.65, respectively. The evolution of Sp grows linearly with the degree of advancement of chemical reactions measured by thermal heating and we evidence two relaxation processes independent of the w/c ratio.

  3. Coherent Phonon Rabi Oscillations with a High-Frequency Carbon Nanotube Phonon Cavity.

    Science.gov (United States)

    Zhu, Dong; Wang, Xin-He; Kong, Wei-Cheng; Deng, Guang-Wei; Wang, Jiang-Tao; Li, Hai-Ou; Cao, Gang; Xiao, Ming; Jiang, Kai-Li; Dai, Xing-Can; Guo, Guang-Can; Nori, Franco; Guo, Guo-Ping

    2017-02-08

    Phonon-cavity electromechanics allows the manipulation of mechanical oscillations similar to photon-cavity systems. Many advances on this subject have been achieved in various materials. In addition, the coherent phonon transfer (phonon Rabi oscillations) between the phonon cavity mode and another oscillation mode has attracted many interest in nanoscience. Here, we demonstrate coherent phonon transfer in a carbon nanotube phonon-cavity system with two mechanical modes exhibiting strong dynamical coupling. The gate-tunable phonon oscillation modes are manipulated and detected by extending the red-detuned pump idea of photonic cavity electromechanics. The first- and second-order coherent phonon transfers are observed with Rabi frequencies 591 and 125 kHz, respectively. The frequency quality factor product fQ m ∼ 2 × 10 12 Hz achieved here is larger than k B T base /h, which may enable the future realization of Rabi oscillations in the quantum regime.

  4. [Energy dispersive spectrum analysis of surface compositions of selective laser melting cobalt-chromium alloy fabricated by different processing parameters].

    Science.gov (United States)

    Qian, Liang; Zeng, Li; Wei, Bin; Gong, Yao

    2015-06-01

    To fabricate selective laser melting cobalt-chromium alloy samples by different processing parameters, and to analyze the changes of energy dispersive spectrum(EDS) on their surface. Nine groups were set up by orthogonal experimental design according to different laser powers,scanning speeds and powder feeding rates(laser power:2500-3000 W, scanning speed: 5-15 mm/s, powder feeding rate: 3-6 r/min). Three cylinder specimens(10 mm in diameter and 3 mm in thickness) were fabricated in each group through Rofin DL 035Q laser cladding system using cobalt-chromium alloy powders which were developed independently by our group.Their surface compositions were then measured by EDS analysis. Results of EDS analysis of the 9 groups fabricated by different processing parameters(Co:62.98%-67.13%,Cr:25.56%-28.50%,Si:0.49%-1.23%) were obtained. They were similar to the compositions of cobalt-chromium alloy used in dental practice. According to EDS results, the surface compositions of the selective laser melting cobalt-chromium alloy samples are stable and controllable, which help us gain a preliminary sight into the range of SLM processing parameters. Supported by "973" Program (2012CB910401) and Research Fund of Science and Technology Committee of Shanghai Municipality (12441903001 and 13140902701).

  5. Optical phonon modes of wurtzite InP

    Science.gov (United States)

    Gadret, E. G.; de Lima, M. M.; Madureira, J. R.; Chiaramonte, T.; Cotta, M. A.; Iikawa, F.; Cantarero, A.

    2013-03-01

    Optical vibration modes of InP nanowires in the wurtzite phase were investigated by Raman scattering spectroscopy. The wires were grown along the [0001] axis by the vapor-liquid-solid method. The A1(TO), E2h, and E1(TO) phonon modes of the wurtzite symmetry were identified by using light linearly polarized along different directions in backscattering configuration. Additionally, forbidden longitudinal optical modes have also been observed. Furthermore, by applying an extended 11-parameter rigid-ion model, the complete dispersion relations of InP in the wurtzite phase have been calculated, showing a good agreement with the Raman experimental data.

  6. Phonon assisted thermophoretic motion of gold nanoparticles inside carbon nanotubes

    DEFF Research Database (Denmark)

    Schoen, Philipp A.E.; Walther, Jens Honore; Poulikakos, Dimos

    2007-01-01

    The authors investigate the thermally driven mass transport of gold nanoparticles confined inside carbon nanotubes using molecular dynamics simulations. The observed thermophoretic motion of the gold nanoparticles correlates with the phonon dispersion exhibited by a standard carbon nanotube and......, in particular, with the breathing mode of the tube. Additionally, the results show an increased static friction for gold nanoparticles confines inside a zig-zag carbon nanotube when increasing the size length of the nanoparticles. However, an unexpected, opposite trend is observed for the same nanoparticles...

  7. Electron-phonon coupling in quasi free-standing graphene

    DEFF Research Database (Denmark)

    Christian Johannsen, Jens; Ulstrup, Søren; Bianchi, Marco

    2013-01-01

    Quasi free-standing monolayer graphene can be produced by intercalating species like oxygen or hydrogen between epitaxial graphene and the substrate crystal. If the graphene is indeed decoupled from the substrate, one would expect the observation of a similar electronic dispersion and many......-body effects, irrespective of the substrate and the material used to achieve the decoupling. Here we investigate the electron-phonon coupling in two different types of quasi free-standing monolayer graphene: decoupled from SiC via hydrogen intercalation and decoupled from Ir via oxygen intercalation. Both...

  8. Interplay between total thickness and period thickness in the phonon thermal conductivity of superlattices from the nanoscale to the microscale: Coherent versus incoherent phonon transport

    Science.gov (United States)

    Cheaito, Ramez; Polanco, Carlos A.; Addamane, Sadhvikas; Zhang, Jingjie; Ghosh, Avik W.; Balakrishnan, Ganesh; Hopkins, Patrick E.

    2018-02-01

    We report on the room temperature thermal conductivity of AlAs-GaAs superlattices (SLs), in which we systematically vary the period thickness and total thickness between 2 -24 nm and 20.1 -2 ,160 nm , respectively. The thermal conductivity increases with the SL thickness and plateaus at a thickness around 200 nm, showing a clear transition from a quasiballistic to a diffusive phonon transport regime. These results demonstrate the existence of classical size effects in SLs, even at the highest interface density samples. We use harmonic atomistic Green's function calculations to capture incoherence in phonon transport by averaging the calculated transmission over several purely coherent simulations of independent SL with different random mixing at the AlAs-GaAs interfaces. These simulations demonstrate the significant contribution of incoherent phonon transport through the decrease in the transmission and conductance in the SLs as the number of interfaces increases. In spite of this conductance decrease, our simulations show a quasilinear increase in thermal conductivity with the superlattice thickness. This suggests that the observation of a quasilinear increase in thermal conductivity can have important contributions from incoherent phonon transport. Furthermore, this seemingly linear slope in thermal conductivity versus SL thickness data may actually be nonlinear when extended to a larger number of periods, which is a signature of incoherent effects. Indeed, this trend for superlattices with interatomic mixing at the interfaces could easily be interpreted as linear when the number of periods is small. Our results reveal that the change in thermal conductivity with period thickness is dominated by incoherent (particlelike) phonons, whose properties are not dictated by changes in the AlAs or GaAs phonon dispersion relations. This work demonstrates the importance of studying both period and sample thickness dependencies of thermal conductivity to understand the

  9. Tunable infrared reflectance by phonon modulation

    Energy Technology Data Exchange (ETDEWEB)

    Ihlefeld, Jon F.; Sinclair, Michael B.; Beechem, III, Thomas E.

    2018-03-06

    The present invention pertains to the use of mobile coherent interfaces in a ferroelectric material to interact with optical phonons and, ultimately, to affect the material's optical properties. In altering the optical phonon properties, the optical properties of the ferroelectric material in the spectral range near-to the phonon mode frequency can dramatically change. This can result in a facile means to change to the optical response of the ferroelectric material in the infrared.

  10. Tunable infrared reflectance by phonon modulation

    Science.gov (United States)

    Ihlefeld, Jon F.; Sinclair, Michael B.; Beechem, III, Thomas E.

    2018-03-06

    The present invention pertains to the use of mobile coherent interfaces in a ferroelectric material to interact with optical phonons and, ultimately, to affect the material's optical properties. In altering the optical phonon properties, the optical properties of the ferroelectric material in the spectral range near-to the phonon mode frequency can dramatically change. This can result in a facile means to change to the optical response of the ferroelectric material in the infrared.

  11. Electron-phonon coupling in one dimension

    International Nuclear Information System (INIS)

    Apostol, M.; Baldea, I.

    1981-08-01

    The Ward identity is derived for the electron-phonon coupling in one dimension and the spectrum of elementary excitations is calculated by assuming that the Fermi distribution is not strongly distorted by interaction. The electron-phonon vertex is renormalized in the case of the forward scattering and Migdal's theorem is discussed. A model is proposed for the giant Kohn anomaly. The dip in the phonon spectrum is obtained and found to be in agreement with the experimental data for KCP. (author)

  12. Realization of phonon laser with femtosecond technology

    Science.gov (United States)

    Sun, Chi-Kuang; Huang, Yue-Kai; Chern, Gia-Wei

    2002-06-01

    One of the most desirable properties of phonon system is sound amplification by stimulated emission of phonon radiation, coined as SASER or called phonon laser or acoustic laser, which is the acoustic counterpart of LASER. Phonon stimulated emission, or sound amplification, has been previously observed fro several occasions in extremely low temperatures, however a lasing behavior of the phonon oscillators has never been established. It is also desirable to build a phonon laser operating at room temperature. Here we present an optically pumped nano-sized phonon laser with an output acoustic wavelength of 9.3 nm, operating at room temperature. The nano phonon laser is composed by InGaN/GaN multiple-quantum-wells (MQWs). By using femtosecond ultraviolet pulses as pumping sources, coherent acoustic phonon amplification with large acoustic gain was observed. When the induced acoustic gain is higher than the acoustic loss due to its traveling nature, a clear laser-like threshold behavior was observed, which resembles a pulsed optical laser. This demonstration will open a new way toward nano-ultrasonics.

  13. Anharmonic vibrational properties in periodic systems: energy, electron-phonon coupling, and stress

    OpenAIRE

    Monserrat, Bartomeu; Drummond, N. D.; Needs, R. J.

    2013-01-01

    A unified approach is used to study vibrational properties of periodic systems with first-principles methods and including anharmonic effects. Our approach provides a theoretical basis for the determination of phonon-dependent quantities at finite temperatures. The low-energy portion of the Born-Oppenheimer energy surface is mapped and used to calculate the total vibrational energy including anharmonic effects, electron-phonon coupling, and the vibrational contribution to the stress tensor. W...

  14. Tuning the characteristics of surface plasmon polariton nanolasers by tailoring the dispersion relation

    Science.gov (United States)

    Lu, Tien-Chang; Chou, Yu-Hsun; Hong, Kuo-Bin; Chung, Yi-Cheng; Lin, Tzy-Rong; Arakelian, S. M.; Alodjants, A. P.

    2017-08-01

    Nanolasers with ultra-compact footprint are able to provide high intensity coherent light, which have various potential applications in high capacity signal processing, biosensing, and sub-wavelength imaging. Among various nanolasers, those lasers with cavities surrounded with metals have shown to have superior light emission properties due to the surface plasmon effect providing better field confinement capability and allowing exotic light-matter interaction. In this talk, we report robust ultraviolet ZnO nanolaser by using silver (Ag) [1] and aluminum (Al) [2] to strongly shrink the mode volume. The nanolasers operated at room temperature and even high temperature (353K) shows several distinct features including an extremely small mode volume, large Purcell factor and group index. Comparison of characteristics between Ag- and Al-based will also be made.

  15. Low temperature phonon boundary scattering in slightly rough Silicon nanowires

    Science.gov (United States)

    Ghossoub, Marc; Valavala, Krishna; Seong, Myunghoon; Azeredo, Bruno; Sadhu, Jyothi S.; Sinha, Sanjiv

    2013-03-01

    Nanostructured materials have lower thermal conductivities than the bulk and are promising candidates for thermoelectric applications. In particular, measurements on single silicon nanowires show a reduction in thermal conductivity below the Casimir limit. This reduction increases with surface roughness but the trend and its connection to phonon boundary scattering are still elusive. Here, we measure the thermal conductivity of single silicon nanowires fabricated using metal-assisted chemical etching. High resolution TEM imaging shows crystalline wires with slightly rough surfaces. Their statistical correlation lengths (5-15 nm) and RMS heights (0.8-1.5 nm) are in a range where perturbation-based wave scattering theory is still applicable. We use the thermal conductivity data to extract the frequency dependence of phonon boundary scattering at low temperatures (10-40 K) and show agreement with multiple scattering theory. This work provides insight into enhancing the thermoelectric performance of nanostructures.

  16. Surfactant-free carnauba wax dispersion and its use for layer-by-layer assembled protective surface coatings on wood

    Science.gov (United States)

    Lozhechnikova, Alina; Bellanger, Hervé; Michen, Benjamin; Burgert, Ingo; Österberg, Monika

    2017-02-01

    Protection from liquid water and UV radiation are equally important, and a sophisticated approach is needed when developing surface coatings that preserve the natural and well-appreciated aesthetic appearance of wood. In order to prevent degradation and prolong the service life of timber, a protective coating was assembled using carnauba wax particles and zinc oxide nanoparticles via layer-by-layer deposition in water. For this purpose, a facile sonication route was developed to produce aqueous wax dispersion without any surfactants or stabilizers. The suspension was stable above pH 4 due to the electrostatic repulsion between the negatively charged wax particles. The particle size could be controlled by the initial wax concentration with average particle sizes ranging from 260 to 360 nm for 1 and 10 g/L, respectively. The deposition of wax particles onto the surface of spruce wood introduced additional roughness to the wood surface at micron level, while zinc oxide provided nano roughness and UV-absorbing properties. In addition to making wood superhydrophobic, this novel multilayer coating enhanced the natural moisture buffering capability of spruce. Moreover, wood surfaces prepared in this fashion showed a significant reduction in color change after exposure to UV light. A degradation of the wax through photocatalytic activity of the ZnO particles was measured by FTIR, indicating that further studies are required to achieve long-term stability. Nevertheless, the developed coating showed a unique combination of superhydrophobicity and excellent moisture buffering ability and some UV protection, all achieved using an environmentally friendly coating process, which is beneficial to retain the natural appearance of wood and improve indoor air quality and comfort.

  17. Phonon dispersions in graphene sheet and single-walled carbon ...

    Indian Academy of Sciences (India)

    m φmβj. 0αi exp(iq · r). (2). Here rm is the position vector of the mth cell which contains two atoms. Here masses Mα and Mβ are masses of αth and βth atoms respectively. φmβj. 0αi are the force constants which are to be calculated using second-generation reactive empirical bond order potential. 3.1 Model potential. 3.1.1 A ...

  18. Uncertainty in the inelastic resonant scattering assisted by phonons

    International Nuclear Information System (INIS)

    Garcia, N.; Garcia-Sanz, J.; Solana, J.

    1977-01-01

    We have analyzed the inelastic minima observed in new results of He atoms scattered from LiF(001) surfaces. This is done considering bound state resonance processes assisted by phonons. The analysis presents large uncertainties. In the range of uncertainty, we find two ''possible'' bands associated with the vibrations of F - and Li + , respectively. Many more experimental data are necessary to confirm the existence of these processes

  19. Synthesis, characterization and cytotoxicity of surface amino-functionalized water-dispersible multi-walled carbon nanotubes

    Science.gov (United States)

    Vuković, Goran; Marinković, Aleksandar; Obradović, Maja; Radmilović, Velimir; Čolić, Miodrag; Aleksić, Radoslav; Uskoković, Petar S.

    2009-06-01

    Surface functionalization of multi-walled carbon nanotubes (MWCNTs), with amino groups via chemical modification of carboxyl groups introduced on the nanotube surface, using O-(7-azabenzotriazol-1-yl)- N, N, N', N'-tetramethyluronium hexafluorophosphate (N-HATU) and N, N-diisopropylethylamine (DIEA) is reported. The N-HATU coupling agent provides faster reaction rate and the reaction occurs at lower temperature compared to amidation and acylation-amidation chemistry. The amines, 1,6-hexanediamine (HDA), diethylenetriamine (DETA), triethylenetetramine (TETA) and 1,4-phenylenediamine (PDA) were used. The resulting materials were characterized with different techniques such as FTIR, XRD, elemental analysis, TGA, TEM, UV-vis spectroscopy and cyclic voltammetry. MWCNTs functionalized with PDA posses the best dispersibility and electron transfer properties in comparison to the others amines. Functionalized MWCNTs, at the concentrations between 1 and 50 μg ml -1, were not cytotoxic for the fibroblast L929 cell line. However, the concentrations of MWCNTs higher of 10 μg ml -1 reduced cell growth and this effect correlated positively with the degree of their uptake by L929 cells.

  20. Synthesis, characterization and cytotoxicity of surface amino-functionalized water-dispersible multi-walled carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Vukovic, Goran; Marinkovic, Aleksandar [Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11120 Belgrade (Serbia); Obradovic, Maja [Institute of Chemistry, Technology and Metallurgy, University of Belgrade, Njegoseva 12, 11001 Belgrade (Serbia); Radmilovic, Velimir [National Centre for Electron Microscopy, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Colic, Miodrag [Institute for Medical Research, Military Medical Academy, Crnotravska 17, 11002 Belgrade (Serbia); Aleksic, Radoslav [Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11120 Belgrade (Serbia); Uskokovic, Petar S., E-mail: puskokovic@tmf.bg.ac.rs [Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11120 Belgrade (Serbia)

    2009-06-30

    Surface functionalization of multi-walled carbon nanotubes (MWCNTs), with amino groups via chemical modification of carboxyl groups introduced on the nanotube surface, using O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate (N-HATU) and N,N-diisopropylethylamine (DIEA) is reported. The N-HATU coupling agent provides faster reaction rate and the reaction occurs at lower temperature compared to amidation and acylation-amidation chemistry. The amines, 1,6-hexanediamine (HDA), diethylenetriamine (DETA), triethylenetetramine (TETA) and 1,4-phenylenediamine (PDA) were used. The resulting materials were characterized with different techniques such as FTIR, XRD, elemental analysis, TGA, TEM, UV-vis spectroscopy and cyclic voltammetry. MWCNTs functionalized with PDA posses the best dispersibility and electron transfer properties in comparison to the others amines. Functionalized MWCNTs, at the concentrations between 1 and 50 {mu}g ml{sup -1}, were not cytotoxic for the fibroblast L929 cell line. However, the concentrations of MWCNTs higher of 10 {mu}g ml{sup -1} reduced cell growth and this effect correlated positively with the degree of their uptake by L929 cells.

  1. Localized surface plasmon resonances in spatially dispersive nano-objects: phenomenological treatise.

    Science.gov (United States)

    Ginzburg, Pavel; Zayats, Anatoly V

    2013-05-28

    Nonlocal optical response of materials, important at the nanometric scale, influences numerous optical phenomena, such as electromagnetic field confinement and spectral characteristics of plasmonic resonances. Here, we present a general phenomenological approach to account for nonlocal material polarizabilities in nanoscale metal particles. The problem of nonlocal plasmonic resonances is formulated by an integro-differential equation in a space domain and solved by adopting its weak form, implemented in the finite element method, thus, dispensing with the requirements on additional boundary conditions. As an example, nonlocal smearing effects in plasmonic nanorods of various cross sections and nanotubes have been considered. Clear signature of nonlocality manifests itself in the interference fringes in the potential profile and a significant frequency shift of the localized surface plasmon resonances. These effects are especially important for nanoparticles with geometrical features comparable to the de Broglie wavelengths of electrons participating in the light-matter interactions. The proposed method provides a universal tool for phenomenological account of nonlocalities of any kind with the only requirement of linearity in system's response.

  2. Dispersion of inorganic contaminants in surface water in the vicinity of Potchefstroom

    Science.gov (United States)

    Manyatshe, A.; Fosso-Kankeu, E.; van der Berg, D.; Lemmer, N.; Waanders, F.; Tutu, H.

    2017-08-01

    Potchefstroom and the neighbouring cities rely mostly on the Mooi River and Vaal River for their water needs. These rivers flow through the gold mining areas and farms, and are therefore likely to be contaminated with substantial amounts of inorganic pollutants. Water was collected along the rivers network, streams, canals and dams in Potchefstroom and the vicinity. The samples were characterized for geochemical parameters, metals and anions concentrations. The results showed high concentrations of potentially toxic elements such as As (4.53 mg/L - 5.74 mg/L), Cd (0.25 mg/L - 0.7 mg/L), Pb (1.14 mg/L - 5.13 mg/L) and U (0.04 mg/L - 0.11 mg/L) which were predominantly found around the mining areas. Elevated concentrations of anions such SO42- and CN- were detected around mining areas while NO3- was dominant near farms. The relatively high levels of anions and metals in the surface water made it unfit for domestic or agricultural use. The study showed that contaminants in mining and agricultural facilities were potentially mobilised, thus impacting the nearby water systems.

  3. Band structure and phonon properties of lithium fluoride at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Panchal, J. M., E-mail: amitjignesh@yahoo.co.in [Government Engineering College, Gandhinagar 382028, Gujarat (India); Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India); Joshi, Mitesh [Government Polytechnic for Girls, Athwagate, Surat395001, Gujarat (India); Gajjar, P. N., E-mail: pngajjar@rediffmail.com [Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India)

    2016-05-23

    High pressure structural and electronic properties of Lithium Fluoride (LiF) have been studied by employing an ab-initio pseudopotential method and a linear response scheme within the density functional theory (DFT) in conjunction with quasi harmonic Debye model. The band structure and electronic density of states conforms that the LiF is stable and is having insulator behavior at ambient as well as at high pressure up to 1 Mbar. Conclusions based on Band structure, phonon dispersion and phonon density of states are outlined.

  4. Band structure and phonon properties of lithium fluoride at high pressure

    International Nuclear Information System (INIS)

    Panchal, J. M.; Joshi, Mitesh; Gajjar, P. N.

    2016-01-01

    High pressure structural and electronic properties of Lithium Fluoride (LiF) have been studied by employing an ab-initio pseudopotential method and a linear response scheme within the density functional theory (DFT) in conjunction with quasi harmonic Debye model. The band structure and electronic density of states conforms that the LiF is stable and is having insulator behavior at ambient as well as at high pressure up to 1 Mbar. Conclusions based on Band structure, phonon dispersion and phonon density of states are outlined.

  5. Phonon-induced renormalization of the electron spectrum of biased bilayer graphene

    Science.gov (United States)

    Kryuchkov, S. V.; Kukhar, E. I.

    2018-05-01

    The effect of the electron-phonon interaction on the electron subsystem of the bilayer graphene has been investigated in the case when there is a potential bias between the graphene layers. The electron-phonon interaction has been shown to lead to increasing of the curvature of the lower dispersion branch of the conduction band of the bigraphene in the vicinity of the Dirac point. The latter corresponds to the decreasing of the absolute value of the electron effective mass. The corresponding correction to the effective mass has been calculated. Dependence of this correction on the bias has been investigated. Influence of such effect on the bigraphene conductivity is discussed.

  6. Phonon density of states for solid uranium: Accuracy of the embedded atom model classical interatomic potential

    Science.gov (United States)

    Antropov, A. S.; Fidanyan, K. S.; Stegailov, V. V.

    2018-01-01

    An accurate computation of the vibrational properties of a crystal lattice, such as phonon density of states and dispersion curves, is necessary for the description of thermodynamic properties of the solid state as well as defect migration rates. In this work, we use a simple embedded atom model classical interatomic potential. The phonon density of states for the α and γ phases of uranium at different temperatures was calculated by three methods: the lattice dynamics approach, the Fourier transformation of the velocity autocorrelation function and the Green’s function method for lattice dynamics.

  7. Effect of Surface Morphology and Dispersion Media on the Properties of PEDOT:PSS/n-Si Hybrid Solar Cell Containing Functionalized Graphene

    Directory of Open Access Journals (Sweden)

    Pham Van Trinh

    2017-01-01

    Full Text Available We present the results on the effect of surface morphology and dispersion media on the properties of PEDOT:PSS/n-Si hybrid solar cell containing functionalized graphene (Gr. The hybrid solar cells based on SiNWs showed higher power conversion efficiency (PCE compared to the planar based cells due to suppressing the carrier recombination and improving carrier transport efficiency. The PCE of hybrid solar cells could be improved by adding Gr into PEDOT:PSS. Different solvents including deionized (DI water, ethylene glycol (EG, and isopropyl alcohol (IPA were used as media for Gr dispersion. The best performance was obtained for the cell containing Gr dispersed in EG with a measured PCE of 7.33% and nearly 13% and 16% enhancement in comparison with the cells using Gr dispersed in IPA and DI water, respectively. The increase in PCE is attributed to improving the carrier-mobility, electrical conductivity, PEDOT crystallinity, and ordering.

  8. Experimental Study of Electron and Phonon Dynamics in Nanoscale Materials by Ultrafast Laser Time-Domain Spectroscopy

    Science.gov (United States)

    Shen, Xiaohan

    less than 100 nm was observed. The longitudinal acoustic phonon transport in silicon (Si) nanorod with confined diameter and length was investigated. The guided phonon modes in Si nanorod with different frequencies and wave vectors were observed. The mean-free-path of the guided phonons in Si nanorod was found to be larger than the effective phonon mean-free-path in Si film, because of the limited phonon scattering channels in Si nanorod. The phonon density of states and dispersion relation strongly depend on the size and boundary conditions of nanorod. Our work demonstrates the possibility of modifying the phonon transport properties in nanoscale materials by designing the size and boundary conditions, hence the control of thermal conductivity. In addition, the periodicity effect of nanostructures on acoustic phonon transport was investigated in silicon dioxide (SiO2) nanorod arrays. The lattice modes and mechanical eigenmodes were observed, and the pitch effect on lattice modes was discussed. A narrowband acoustic phonon spectroscopic technique with tunable frequency and spectral width throughout GHz frequency range has been developed to investigate the frequency-dependent acoustic phonon transport in nanoscale materials. The quadratic frequency dependence of acoustic attenuation of SiO2 and indium tin oxide (ITO) thin films was observed, and the acoustic attenuation of ITO was found to be larger than SiO2. Moreover, the acoustic control on mechanical resonance of nanoscale materials using the narrowband acoustic phonon source was demonstrated in tungsten thin film.

  9. Surface area normalized dissolution to study differences in itraconazole-copovidone solid dispersions prepared by spray-drying and hot melt extrusion.

    Science.gov (United States)

    Bhardwaj, Vivekanand; Trasi, Niraj S; Zemlyanov, Dmitry Y; Taylor, Lynne S

    2018-04-05

    Amorphous solid dispersions of itraconazole (ITZ) and copovidone (PVPVA 64) at 1:1 to 1:9 drug-polymer ratios were prepared using spray-drying (SD) and hot melt (HM) extrusion for comparative evaluation. Surface area normalized dissolution studies were carried out using a modified intrinsic dissolution rate (IDR) assembly and rate of release of drug as well as polymer were quantified using ultraviolet spectroscopy. The melt quenched amorphous form of ITZ provided an 18-fold dissolution advantage over the crystalline form. In general, dispersions prepared by either SD or HM showed similar dissolution profiles in terms of drug release. Both drug-controlled and polymer-controlled ITZ dissolution rates were observed, depending on the drug loading, where a switch from a drug-controlled to a polymer-controlled regime was observed when the drug loading was approximately 20% or lower. The impact of the spray drying solvent composition was studied and found to have a large effect on the drug release rate for dispersions containing a drug loading of 20%. Electron microscopy showed differences in surface morphology (scanning) and internal structure (transmission) in these dispersions as a function of solvent system. X-ray photoelectron spectroscopy (XPS) revealed differences in the surface composition of drug and polymer whereby poorly dissolving systems showed drug enrichment. This study provides insight into the complex interplay between formulation, processing and performance of amorphous solid dispersion systems. Copyright © 2018 Elsevier B.V. All rights reserved.

  10. Splash, pop, sizzle: Information processing with phononic computing

    International Nuclear Information System (INIS)

    Sklan, Sophia R.

    2015-01-01

    Phonons, the quanta of mechanical vibration, are important to the transport of heat and sound in solid materials. Recent advances in the fundamental control of phonons (phononics) have brought into prominence the potential role of phonons in information processing. In this review, the many directions of realizing phononic computing and information processing are examined. Given the relative similarity of vibrational transport at different length scales, the related fields of acoustic, phononic, and thermal information processing are all included, as are quantum and classical computer implementations. Connections are made between the fundamental questions in phonon transport and phononic control and the device level approach to diodes, transistors, memory, and logic. 

  11. Resonant tunneling in a pulsed phonon field

    DEFF Research Database (Denmark)

    Kral, P.; Jauho, Antti-Pekka

    1999-01-01

    , The nonequilibrium spectral function for the resonance displays the formation and decay of the phonon sidebands on ultrashort time scales. The time-dependent tunneling current through the individual phonon satellites reflects this quasiparticle formation by oscillations, whose time scale is set by the frequency...

  12. Separation and concentration of natural products by fast forced adsorption using well-dispersed velvet-like graphitic carbon nitride with response surface methodology optimisation.

    Science.gov (United States)

    Ding, Xinru; Zhu, Jun; Zhang, Yue; Xia, Qian; Bi, Wentao; Yang, Xiaodi; Yang, Jinfei

    2016-07-01

    Well-dispersed velvet-like graphitic carbon nitride nanoparticles with a large surface area were prepared and utilized for separation and concentration of bioactive compounds from fruit extracts by fast (20s) forced adsorption. The large surface area, enhanced non-covalent interactions of this nanoparticle with bioactive compounds and good dispersity in different solvents benefited its application as a good sorbent. To evaluate their adsorption capabilities, these carbon nitride nanoparticles were used for separation and concentration of flavonoids from fruit extracts by a forced-adsorption dispersive solid phase extraction method. The combined use of this nanoparticle and our experimental conditions showed excellent precision (3.6-4.7%) and sensitivity (limits of detection (S/N=3): 0.6-3.75ng/mL). This research provides an alternative strategy to prepare suitable sorbents for adsorption, separation and concentration of various compounds from different extracts. Copyright © 2016 Elsevier B.V. All rights reserved.

  13. Phononic crystals and elastodynamics: Some relevant points

    Energy Technology Data Exchange (ETDEWEB)

    Aravantinos-Zafiris, N. [Dept. of Materials Science, University of Patras, Patras 26504 (Greece); Department of Sound and Musical Instruments Technology, Ionian Islands Technological Educational Institute, Lixouri, 28200 (Greece); Sigalas, M. M. [Dept. of Materials Science, University of Patras, Patras 26504 (Greece); Kafesaki, M. [Institute of Electronic Structure and Laser (IESL), Foundation for Research and Technology, Hellas (FORTH), P.O. Box 1387, 70013 Heraklion, Crete (Greece); Dept. of Materials Science and Technology, Univ. of Crete (Greece); Economou, E. N. [Institute of Electronic Structure and Laser (IESL), Foundation for Research and Technology, Hellas (FORTH), P.O. Box 1387, 70013 Heraklion, Crete (Greece); Dept. of Physics, Univ. of Crete (Greece)

    2014-12-15

    In the present paper we review briefly some of the first works on wave propagation in phononic crystals emphasizing the conditions for the creation of acoustic band-gaps and the role of resonances to the band-gap creation. We show that useful conclusions in the analysis of phononic band gap structures can be drawn by considering the mathematical similarities of the basic classical wave equation (Helmholtz equation) with Schrödinger equation and by employing basic solid state physics concepts and conclusions regarding electronic waves. In the second part of the paper we demonstrate the potential of phononic systems to be used as elastic metamaterials. This is done by demonstrating negative refraction in phononic crystals and subwavelength waveguiding in a linear chain of elastic inclusions, and by proposing a novel structure with close to pentamode behavior. Finally the potential of phononic structures to be used in liquid sensor applications is discussed and demonstrated.

  14. Phononic crystals and elastodynamics: Some relevant points

    International Nuclear Information System (INIS)

    Aravantinos-Zafiris, N.; Sigalas, M. M.; Kafesaki, M.; Economou, E. N.

    2014-01-01

    In the present paper we review briefly some of the first works on wave propagation in phononic crystals emphasizing the conditions for the creation of acoustic band-gaps and the role of resonances to the band-gap creation. We show that useful conclusions in the analysis of phononic band gap structures can be drawn by considering the mathematical similarities of the basic classical wave equation (Helmholtz equation) with Schrödinger equation and by employing basic solid state physics concepts and conclusions regarding electronic waves. In the second part of the paper we demonstrate the potential of phononic systems to be used as elastic metamaterials. This is done by demonstrating negative refraction in phononic crystals and subwavelength waveguiding in a linear chain of elastic inclusions, and by proposing a novel structure with close to pentamode behavior. Finally the potential of phononic structures to be used in liquid sensor applications is discussed and demonstrated

  15. Experimental Measurements of Concentration Fluctuations and Scales in a Dispersing Plume in the Atmospheric Surface Layer Obtained Using a Very Fast Response Concentration Detector

    Science.gov (United States)

    2016-06-14

    VOLUME 33 Experimental Measurements of Concentration Fluctuations and Scales in a Dispersing Plume in the Atmospheric Surface Layer Obtained Using a...Very Fast Response Concentration Detector EUGENE YEE Defence Research Establishment Suffield, Medicine Hat, Alberta , Canada R. CHAN AND P. R...various concentration timescales, length scales , and microscales (e.g., Taylor microscale, correlation scale , length scale based on the spectral

  16. Calculation of energy relaxation rates of fast particles by phonons in crystals

    Energy Technology Data Exchange (ETDEWEB)

    Prange, Micah P.; Campbell, Luke W.; Wu, Dangxin; Gao, Fei; Kerisit, Sebastien N.

    2015-03-01

    We present ab initio calculations of the temperature-dependent exchange of energy between a classical charged point-particle and the phonons of a crystalline material. The phonons, which are computed using density functional perturbation theory (DFPT) methods, interact with the mov- ing particle via the Coulomb interaction between the density induced in the material by phonon excitation and the charge of the classical particle. Energy relaxation rates are computed using time- dependent perturbation theory. The method, which is applicable wherever DFPT is, is illustrated with results for CsI, an important scintillator whose performance is affected by electron thermal- ization. We discuss the influence of the form assumed for quasiparticle dispersion on theoretical estimates of electron cooling rates.

  17. Dispersion of Short- and Medium-Chain Chlorinated Paraffins (CPs) from a CP Production Plant to the Surrounding Surface Soils and Coniferous Leaves.

    Science.gov (United States)

    Xu, Jiazhi; Gao, Yuan; Zhang, Haijun; Zhan, Faqiang; Chen, Jiping

    2016-12-06

    Chlorinated paraffin (CP) production is one important emission source for short- and medium-chain CPs (SCCPs and MCCPs) in the environment. In this study, 48 CP congener groups were measured in the surface soils and coniferous leaves collected from the inner and surrounding environment of a CP production plant that has been in operation for more than 30 years to investigate the dispersion and deposition behavior of SCCPs and MCCPs. The average concentrations of the sum of SCCPs and MCCPs in the in-plant coniferous leaves and surface soils were 4548.7 ng g -1 dry weight (dw) and 3481.8 ng g -1 dw, which were 2-fold and 10-fold higher than those in the surrounding environment, respectively. The Gaussian air pollution model explained the spatial distribution of CPs in the coniferous leaves, whereas the dispersion of CPs to the surrounding surface soils fits the Boltzmann equation well. Significant fractionation effect was observed for the atmospheric dispersion of CPs from the production plant. CP congener groups with higher octanol-air partitioning coefficients (K OA ) were more predominant in the in-plant environment, whereas the ones with lower K OA values had the elevated proportion in the surrounding environment. A radius of approximately 4 km from the CP production plant was influenced by the atmospheric dispersion and deposition of CPs.

  18. Phonon scattering in metallic glasses

    International Nuclear Information System (INIS)

    Black, J.L.

    1979-01-01

    The purpose of this article is to review some recent theoretical and experimental developments in the study of metallic glasses at temperatures near or below 1K. In this temperature regime, it appears that practically all glasses, whether metallic or insulating, behave in a similar fashion. The fact that such similarities occur, despite substantial structural differences between metallic and insulating glasses, constitutes a major theoretical challenge. This challenge, however, is not directly addressed in what follows. Instead, the evidence for universal behavior and the theory which is necessary to understand this evidence are emphasized. It turns out that most of this evidence involves a comparison of phonon scattering in metallic glasses with its counterpart in insulating glasses

  19. Electron–phonon coupling from finite differences

    Science.gov (United States)

    Monserrat, Bartomeu

    2018-02-01

    The interaction between electrons and phonons underlies multiple phenomena in physics, chemistry, and materials science. Examples include superconductivity, electronic transport, and the temperature dependence of optical spectra. A first-principles description of electron–phonon coupling enables the study of the above phenomena with accuracy and material specificity, which can be used to understand experiments and to predict novel effects and functionality. In this topical review, we describe the first-principles calculation of electron–phonon coupling from finite differences. The finite differences approach provides several advantages compared to alternative methods, in particular (i) any underlying electronic structure method can be used, and (ii) terms beyond the lowest order in the electron–phonon interaction can be readily incorporated. But these advantages are associated with a large computational cost that has until recently prevented the widespread adoption of this method. We describe some recent advances, including nondiagonal supercells and thermal lines, that resolve these difficulties, and make the calculation of electron–phonon coupling from finite differences a powerful tool. We review multiple applications of the calculation of electron–phonon coupling from finite differences, including the temperature dependence of optical spectra, superconductivity, charge transport, and the role of defects in semiconductors. These examples illustrate the advantages of finite differences, with cases where semilocal density functional theory is not appropriate for the calculation of electron–phonon coupling and many-body methods such as the GW approximation are required, as well as examples in which higher-order terms in the electron–phonon interaction are essential for an accurate description of the relevant phenomena. We expect that the finite difference approach will play a central role in future studies of the electron–phonon interaction.

  20. Poly(acrylic acid-co-maleic acid), a polymer dispersant for the control of oxide deposition over nuclear steam generator surfaces

    Science.gov (United States)

    Joshi, Akhilesh Chandra; Rufus, Appadurai Lagorious; Velmurugan, Sankaralingam

    2018-01-01

    Nuclear reactors face extended outages due to Steam Generator (SG) tube failure. Study was carried out to evaluate Poly (acrylic acid-co-maleic acid) [PAMA], as polymeric dispersant for online cleaning of SGs. The transfer of iron from carbon steel surfaces in presence of PAMA to SG tube materials viz., alloy-400 and alloy-800 in deoxygenated and alkaline conditions at 240 °C was investigated. Addition of PAMA will not only prevent the deposition on the SG tube surfaces but also help in forming a better protective inner oxide layer on the surfaces. The oxides so formed were characterised by X-ray Diffraction (XRD), Raman Spectroscopy, X-ray Photoelectron Spectroscopy (XPS) and electrochemical techniques viz., Potentio-Dynamic Anodic Polarization (PDAP) and Electrochemical Impedance Spectroscopy (EIS) to establish their protectiveness and to understand the dispersive action of PAMA. Furthermore, aqueous solution of PAMA was thermally stable besides it was also found to scavenge Dissolved Oxygen (DO).

  1. Integrated phononic crystal resonators based on adiabatically-terminated phononic crystal waveguides

    Directory of Open Access Journals (Sweden)

    Razi Dehghannasiri

    2016-12-01

    Full Text Available In this letter, we demonstrate a new design for integrated phononic crystal (PnC resonators based on confining acoustic waves in a heterogeneous waveguide-based PnC structure. In this architecture, a PnC waveguide that supports a single mode at the desired resonance frequencies is terminated by two waveguide sections with no propagating mode at those frequencies (i.e., have mode gap. The proposed PnC resonators are designed through combining the spatial-domain and the spatial-frequency domain (i.e., the k-domain analysis to achieve a smooth mode envelope. This design approach can benefit both membrane-based and surface-acoustic-wave-based architectures by confining the mode spreading in k-domain that leads to improved electromechanical excitation/detection coupling and reduced loss through propagating bulk modes.

  2. One-dimensional hypersonic phononic crystals.

    Science.gov (United States)

    Gomopoulos, N; Maschke, D; Koh, C Y; Thomas, E L; Tremel, W; Butt, H-J; Fytas, G

    2010-03-10

    We report experimental observation of a normal incidence phononic band gap in one-dimensional periodic (SiO(2)/poly(methyl methacrylate)) multilayer film at gigahertz frequencies using Brillouin spectroscopy. The band gap to midgap ratio of 0.30 occurs for elastic wave propagation along the periodicity direction, whereas for inplane propagation the system displays an effective medium behavior. The phononic properties are well captured by numerical simulations. The porosity in the silica layers presents a structural scaffold for the introduction of secondary active media for potential coupling between phonons and other excitations, such as photons and electrons.

  3. Electron–phonon superconductivity in YIn3

    International Nuclear Information System (INIS)

    Billington, D; Llewellyn-Jones, T M; Maroso, G; Dugdale, S B

    2013-01-01

    First-principles calculations of the electron–phonon coupling were performed on the cubic intermetallic compound YIn 3 . The electron–phonon coupling constant was found to be λ ep = 0.42. Using the Allen–Dynes formula with a Coulomb pseudopotential of μ* = 0.10, a T c of approximately 0.77 K is obtained which is reasonably consistent with the experimentally observed temperature (between 0.8 and 1.1 K). The results indicate that conventional electron–phonon coupling is capable of producing the superconductivity in this compound. (paper)

  4. Current & Heat Transport in Graphene Nanoribbons: Role of Non-Equilibrium Phonons

    Science.gov (United States)

    Pennington, Gary; Finkenstadt, Daniel

    2010-03-01

    The conducting channel of a graphitic nanoscale device is expected to experience a larger degree of thermal isolation when compared to traditional inversion channels of electronic devices. This leads to enhanced non-equilibrium phonon populations which are likely to adversely affect the mobility of graphene-based nanoribbons due to enhanced phonon scattering. Recent reports indicating the importance of carrier scattering with substrate surface polar optical phonons in carbon nanotubes^1 and graphene^2,3 show that this mechanism may allow enhanced heat removal from the nanoribbon channel. To investigate the effects of hot phonon populations on current and heat conduction, we solve the graphene nanoribbon multiband Boltzmann transport equation. Monte Carlo transport techniques are used since phonon populations may be tracked and updated temporally.^4 The electronic structure is solved using the NRL Tight-Binding method,^5 where carriers are scattered by confined acoustic, optical, edge and substrate polar optical phonons. [1] S. V. Rotkin et al., Nano Lett. 9, 1850 (2009). [2] J. H. Chen, C. Jang, S. Xiao, M. Ishigami and M. S. Fuhrer, Nature Nanotech. 3, 206 (2008). [3] V. Perebeinos and P. Avouris, arXiv:0910.4665v1 [cond-mat.mes-hall] (2009). [4] P. Lugli et al., Appl. Phys. Lett. 50, 1251 (1987). [5] D. Finkenstadt, G. Pennington & M.J. Mehl, Phys. Rev. B 76, 121405(R) (2007).

  5. The Nature of the Phonon Spectrum and the Analysis of Lattice Thermal Conductivity

    International Nuclear Information System (INIS)

    Joshi, S.K.; Sharma, K.C.

    1965-01-01

    An analysis of lattice thermal conductivity is presented, wherein a more realistic phonon spectrum is utilized than the usual Debye-like phonon spectrum consisting of one average acoustic branch. We have first used an anisotropic continuum dispersive model in our calculation of the temperature dependence of the lattice thermal conductivity of germanium. The approach that we have utilized in this calculation is a modified version of Callaway's formulation. Houston's six- and three-term integration procedures are used in evaluating rather formidable integrals over lattice frequencies. Suitable prevalent expressions for relaxation times for boundary and impurity scatterings and three-phonon normal and Umklapp processes are used. A good fit to the experimental data of Holland and Slack and Glassbrenner is obtained for germanium from 2 to 1000°K by adjusting the four constants occurring in the integrals. On the face of reliable neutron spectroscopic evidence, we know that germanium has very disperse transverse branches and for them an anisotropic continuum dispersive model also yields a poor representation. We therefore thought it appropriate to utilize the very elaborate shell model for the lattice dynamics of germanium put forth by Cochran. With a proper adjustment of the parameters entering in our formulation for the calculation of lattice thermal conductivity, we again find a good fit with the experimental data. We are led to a conclusion that the nature of the phonon spectrum does not greatly influence the analysis of lattice thermal conductivity data according to current approaches and the niceties of the phonon spectrum are lost in the adjustment of the various parameters involved. It is felt that instead of putting too much labour in evaluating the tedious integrals for more realistic lattice dynamical models, it is better to investigate the validity of various relaxation time assumptions that have gone into these integrals. (author) [fr

  6. Is subterranean lifestyle reversible? Independent and recent large-scale dispersal into surface waters by two species of the groundwater amphipod genus Niphargus.

    Science.gov (United States)

    Copilaş-Ciocianu, Denis; Fišer, Cene; Borza, Péter; Petrusek, Adam

    2018-02-01

    Groundwater is an extreme environment due to its absence of light, resource scarcity and highly fragmentary nature. Successful groundwater colonizers underwent major evolutionary changes and exhibit eye and pigment loss (troglomorphies). Consequently, their chances of dispersal and survival in the well-connected surface waters are greatly decreased, resulting in significant endemism. The West Palaearctic subterranean amphipod genus Niphargus comprises hundreds of narrowly endemic and troglomorphic species. Nevertheless, a few are known to occur in surface waters, two of which, N. hrabei and N. valachicus, have extremely large ranges that even exceed those of many surface-water amphipods. We tested if this pattern results from a secondary colonization of the relatively well-connected epigean environment, and whether this ecological shift promoted the large-scale dispersal of these species. Results showed that despite their ecological and zoogeographic similarities, N. hrabei and N. valachicus are not closely related and independently colonized surface waters. Their phylogeographic patterns indicate Middle to Late Pleistocene dispersal episodes throughout the Danube lowlands, and relatively modest yet significant genetic differentiation among populations. Clustering based on morphology revealed that the two species are phenotypically closer to each other than they are to most other epigean congeners. We presume that the ecological shift to surface environments was facilitated by their ability to thrive in hypoxic waters where rheophilic competitors from the family Gammaridae cannot survive. In conclusion, our results indicate that adaptation to groundwater is not a one-way evolutionary path and that troglomorphic species can occasionally recolonize and widely disperse in surface waters. Copyright © 2017 Elsevier Inc. All rights reserved.

  7. Modification of dispersibility of nanodiamond by grafting of polyoxyethylene and by the introduction of ionic groups onto the surface via radical trapping

    Energy Technology Data Exchange (ETDEWEB)

    Cha, I. [Graduate School of Science and Technology, Niigata University, 8050, Ikarashi, 2-no-cho, Nishi-ku, Niigata 950-2181 (Japan); Hashimoto, K. [Department of Material Science and Technology, Faculty of Engineering, Niigata University, 8050, Ikarashi, 2-no-cho, Nishi-ku, Niigata 950-218 (Japan); Fujiki, K. [Department of Environmental Science, Niigata Institute of Technology, 1719, Fujihashi, Kashiwazaki, Niigata 945-1195 (Japan); Yamauchi, T. [Graduate School of Science and Technology, Niigata University, 8050, Ikarashi, 2-no-cho, Nishi-ku, Niigata 950-2181 (Japan); Department of Material Science and Technology, Faculty of Engineering, Niigata University, 8050, Ikarashi, 2-no-cho, Nishi-ku, Niigata 950-218 (Japan); Tsubokawa, N., E-mail: ntsuboka@eng.niigata-u.ac.jp [Graduate School of Science and Technology, Niigata University, 8050, Ikarashi, 2-no-cho, Nishi-ku, Niigata 950-2181 (Japan); Department of Material Science and Technology, Faculty of Engineering, Niigata University, 8050, Ikarashi, 2-no-cho, Nishi-ku, Niigata 950-218 (Japan)

    2014-02-14

    To improve the dispersibility of polycrystalline nanodiamond (ND) in solvents, the grafting of polymers and introduction of ionic groups onto ND surface via radical trapping by ND surface were investigated. The grafting of polyoxyethylene (POE) onto ND surface by trapping of POE radicals formed by the thermal decomposition of POE macro azo-initiator (Azo-POE) was examined. The polymer radicals formed by the thermal decomposition of Azo-POE were successfully trapped by ND surface to give POE-grafted ND. The effect of temperature on the grafting of POE onto ND was discussed. In addition, the introduction of cationic protonated amidine groups onto ND was achieved by the trapping of radicals bearing protonated amidine groups formed by thermal decomposition of 2,2′-azobis(2-methylpropionamidine)dihydrochloride (AMPA). The anionic carboxylate groups was introduced onto ND surface by the trapping of the radicals bearing carboxyl groups formed by thermal decomposition of 4,4′-azobis(4-cyonovaleric acid) (ACVA) followed by the treatment with NaOH aqueous solution. The dispersibility of ND in water was remarkably improved by the grafting of POE, based on the steric hindrance of polymer chains and by the introduction of ionic groups, based on the ionic repulsion, onto ND surface. - Highlights: • Grafting of PEG onto nanodiamond was achieved by radical trapping. • Introduction of ionic groups onto nanodiamond was achieved by radical trapping. • Nanodiamond was dispersed by PEG grafting based on steric hindrance of PEG chains. • Nanodiamond was dispersed by introduction of ionic groups based on ionic repulsion.

  8. Modification of dispersibility of nanodiamond by grafting of polyoxyethylene and by the introduction of ionic groups onto the surface via radical trapping

    International Nuclear Information System (INIS)

    Cha, I.; Hashimoto, K.; Fujiki, K.; Yamauchi, T.; Tsubokawa, N.

    2014-01-01

    To improve the dispersibility of polycrystalline nanodiamond (ND) in solvents, the grafting of polymers and introduction of ionic groups onto ND surface via radical trapping by ND surface were investigated. The grafting of polyoxyethylene (POE) onto ND surface by trapping of POE radicals formed by the thermal decomposition of POE macro azo-initiator (Azo-POE) was examined. The polymer radicals formed by the thermal decomposition of Azo-POE were successfully trapped by ND surface to give POE-grafted ND. The effect of temperature on the grafting of POE onto ND was discussed. In addition, the introduction of cationic protonated amidine groups onto ND was achieved by the trapping of radicals bearing protonated amidine groups formed by thermal decomposition of 2,2′-azobis(2-methylpropionamidine)dihydrochloride (AMPA). The anionic carboxylate groups was introduced onto ND surface by the trapping of the radicals bearing carboxyl groups formed by thermal decomposition of 4,4′-azobis(4-cyonovaleric acid) (ACVA) followed by the treatment with NaOH aqueous solution. The dispersibility of ND in water was remarkably improved by the grafting of POE, based on the steric hindrance of polymer chains and by the introduction of ionic groups, based on the ionic repulsion, onto ND surface. - Highlights: • Grafting of PEG onto nanodiamond was achieved by radical trapping. • Introduction of ionic groups onto nanodiamond was achieved by radical trapping. • Nanodiamond was dispersed by PEG grafting based on steric hindrance of PEG chains. • Nanodiamond was dispersed by introduction of ionic groups based on ionic repulsion

  9. Normal processes of phonon-phonon scattering and thermal conductivity of germanium crystals with isotopic disorder

    CERN Document Server

    Kuleev, I G

    2001-01-01

    The effect of normal processes of the phonon-phonon scattering on the thermal conductivity of the germanium crystals with various isotopic disorder degrees is considered. The phonon pulse redistribution in the normal scattering processes both inside each oscillatory branch (the Simons mechanism) and between various phonon oscillatory branches (the Herring mechanism) is accounted for. The contributions of the longitudinal and cross-sectional phonons drift motion into the thermal conductivity are analyzed. It is shown that the pulse redistribution in the Herring relaxation mechanism leads to essential suppression of the longitudinal phonons drift motion in the isotopically pure germanium crystals. The calculations results of thermal conductivity for the Herring relaxation mechanism agree well with experimental data on the germanium crystals with various isotopic disorder degrees

  10. Effects of elastic anisotropy in phononic band-gap plates with two-dimensional lattices

    International Nuclear Information System (INIS)

    Hsu, Jin-Chen

    2013-01-01

    This study presents the effects of elastic anisotropy of constituent materials in square-lattice phononic-crystal plates. Using general elastodynamic calculations and the finite element (FE) method, this study analyses phononic-crystal plates constituted by (1) anisotropic scatterers embedded in an epoxy plate and (2) air holes etched on an anisotropic plate. The full band gaps can be modulated, opened and closed by changing the orientation of the square lattice relative to the crystallographic coordinate system of the anisotropic materials, and the elastic anisotropy varies the dispersion curves of the phononic-crystal plate waves with the rotation of the square lattice. Acoustic power transmission calculations show incident plate mode-dependent spectral gaps, the appearances of which in the frequency spectrum can also be modulated and shifted using elastic anisotropy. The effects of elastic anisotropy demonstrated here enable tailoring frequency band gaps and dispersion curves for functional control of acoustic-wave energy flows in phononic-crystal plates. Applications include acoustic waveguiding, confining, self-collimating and perfect acoustic focusing.

  11. In Vitro assessment of dentin erosion after immersion in acidic beverages: surface profile analysis and energy-dispersive X-ray fluorescence spectrometry study

    OpenAIRE

    Caneppele, Taciana Marco Ferraz; Jeronymo, Raffaela Di Iorio; Di Nicoló, Rebeca; Araújo, Maria Amélia Máximo de; Soares, Luís Eduardo Silva

    2012-01-01

    The aim of this study was to investigate the effects of some acidic drinks on dentin erosion, using methods of surface profile (SP) analysis and energy-dispersive X-ray fluorescence spectrometry (EDXRF). One hundred standardized dentin slabs obtained from bovine incisor roots were used. Dentin slabs measuring 5x5 mm were ground flat, polished and half of each specimen surface was protected with nail polish. For 60 min, the dentin surfaces were immersed in 50 mL of 5 different drinks (Gatorade...

  12. Influence of spray drying and dispersing agent on surface and dissolution properties of griseofulvin micro and nanocrystals.

    Science.gov (United States)

    Shah, Dhaval A; Patel, Manan; Murdande, Sharad B; Dave, Rutesh H

    2016-11-01

    The purpose for the current research is to compare and evaluate physiochemical properties of spray-dried (SD) microcrystals (MCs), nanocrystals (NCs), and nanocrystals with a dispersion agent (NCm) from a poorly soluble compound. The characterization was carried out by performing size and surface analysis, interfacial tension (at particle moisture interface), and in-vitro drug dissolution rate experiments. Nanosuspensions were prepared by media milling and were spray-dried. The SD powders that were obtained were characterized morphologically using scanning electron microscopy (SEM), polarized light microscopy (PLM), and Flowchem. Solid-state characterization was performed using X-ray powder diffraction (XRPD), Fourier transfer infrared spectroscopy (FT-IR), and differential scanning calorimetry (DSC) for the identification of the crystalline nature of all the SD powders. The powders were characterized for their redispersion tendency in the water and in pH 1.2. Significant differences in redispersion were noted for both the NCs in both dissolution media. The interfacial tension for particle moisture interface was determined by applying the BET (Braunauer-Emmett-Teller) equation to the vapor sorption data. No significant reduction in the interfacial tension was observed between MCs and NCs; however, a significant reduction in the interfacial tension was observed for NCm at both 25 °C and 35 °C temperatures. The difference in interfacial tension and redispersion behavior can be attributed to a difference in the wetting tendency for all the SD powders. The dissolution studies were carried out under sink and under non-sink conditions. The non-sink dissolution approach was found suitable for quantification of the dissolution rate enhancement, and also for providing the rank order to the SD formulations.

  13. Lithospheric architecture of NE China from joint Inversions of receiver functions and surface wave dispersion through Bayesian optimisation

    Science.gov (United States)

    Sebastian, Nita; Kim, Seongryong; Tkalčić, Hrvoje; Sippl, Christian

    2017-04-01

    The purpose of this study is to develop an integrated inference on the lithospheric structure of NE China using three passive seismic networks comprised of 92 stations. The NE China plain consists of complex lithospheric domains characterised by the co-existence of complex geodynamic processes such as crustal thinning, active intraplate cenozoic volcanism and low velocity anomalies. To estimate lithospheric structures with greater detail, we chose to perform the joint inversion of independent data sets such as receiver functions and surface wave dispersion curves (group and phase velocity). We perform a joint inversion based on principles of Bayesian transdimensional optimisation techniques (Kim etal., 2016). Unlike in the previous studies of NE China, the complexity of the model is determined from the data in the first stage of the inversion, and the data uncertainty is computed based on Bayesian statistics in the second stage of the inversion. The computed crustal properties are retrieved from an ensemble of probable models. We obtain major structural inferences with well constrained absolute velocity estimates, which are vital for inferring properties of the lithosphere and bulk crustal Vp/Vs ratio. The Vp/Vs estimate obtained from joint inversions confirms the high Vp/Vs ratio ( 1.98) obtained using the H-Kappa method beneath some stations. Moreover, we could confirm the existence of a lower crustal velocity beneath several stations (eg: station SHS) within the NE China plain. Based on these findings we attempt to identify a plausible origin for structural complexity. We compile a high-resolution 3D image of the lithospheric architecture of the NE China plain.

  14. The curious case of cuprous chloride: Giant thermal resistance and anharmonic quasiparticle spectra driven by dispersion nesting

    Science.gov (United States)

    Mukhopadhyay, Saikat; Bansal, Dipanshu; Delaire, Olivier; Perrodin, Didier; Bourret-Courchesne, Edith; Singh, David J.; Lindsay, Lucas

    2017-09-01

    Strongly anharmonic phonon properties of CuCl are investigated with inelastic neutron-scattering measurements and first-principles simulations. An unusual quasiparticle spectral peak emerges in the phonon density of states with increasing temperature, in both simulations and measurements, emanating from exceptionally strong coupling between conventional phonon modes. Associated with this strong anharmonicity, the lattice thermal conductivity of CuCl is extremely low and exhibits anomalous, nonmonotonic pressure dependence. We show how this behavior arises from the structure of the phonon dispersions augmenting the phase space available for anharmonic three-phonon scattering processes, and contrast this mechanism with common arguments based on negative Grüneisen parameters. These results demonstrate the importance of considering intrinsic phonon-dispersion structure toward understanding scattering processes and designing new ultralow thermal conductivity materials.

  15. Controlling competing electronic orders via non-equilibrium acoustic phonons

    Science.gov (United States)

    Schuett, Michael; Orth, Peter; Levchenko, Alex; Fernandes, Rafael

    The interplay between multiple electronic orders is a hallmark of strongly correlated systems displaying unconventional superconductivity. While doping, pressure, and magnetic field are the standard knobs employed to assess these different phases, ultrafast pump-and-probe techniques opened a new window to probe these systems. Recent examples include the ultrafast excitation of coherent optical phonons coupling to electronic states in cuprates and iron pnictides. In this work, we demonstrate theoretically that non-equilibrium acoustic phonons provide a promising framework to manipulate competing electronic phases and favor unconventional superconductivity over other states. In particular, we show that electrons coupled to out-of-equilibrium anisotropic acoustic phonons enter a steady state in which the effective electronic temperature varies around the Fermi surface. Such a momentum-dependent temperature can then be used to selectively heat electronic states that contribute primarily to density-wave instabilities, reducing their competition with superconductivity. We illustrate this phenomenon by computing the microscopic steady-state phase diagram of the iron pnictides, showing that superconductivity is enhanced with respect to the competing antiferromagnetic phase.

  16. Lithology, monsoon and sea-surface current control on provenance, dispersal and deposition of sediments over the Andaman continental shelf

    Digital Repository Service at National Institute of Oceanography (India)

    Damodararao, K.; Singh, S.K.; Rai, V.K.; Ramaswamy, V.; Rao, P.S.

    , constrain their transport pathways and assess the factors influencing the erosion in the catchment and their dispersal and deposition over the Andaman Shelf region. Major elemental compositions of the shelf sediments suggest mafic lithology...

  17. Length-scale dependent phonon interactions

    CERN Document Server

    Srivastava, Gyaneshwar

    2014-01-01

    This book presents  a comprehensive description of phonons and their interactions in systems with different dimensions and length scales. Internationally-recognized leaders describe theories and measurements of phonon interactions  in relation to the design of materials with exotic properties such as metamaterials, nano-mechanical systems, next-generation electronic, photonic, and acoustic devices, energy harvesting, optical information storage, and applications of phonon lasers in a variety of fields. The emergence of techniques for control of semiconductor properties and geometry has enabled engineers to design structures in which functionality is derived from controlling electron behavior. As manufacturing techniques have greatly expanded the list of available materials and the range of attainable length scales, similar opportunities now exist for designing devices whose functionality is derived from controlling phonon behavior. However, progress in this area is hampered by gaps in our knowledge of phono...

  18. Electromagnetic decay of two-phonon states

    International Nuclear Information System (INIS)

    Catara, F.; Chomaz, Ph.; Van Giai, N.; Paris-11 Univ., 91 - Orsay

    1991-01-01

    The electromagnetic decay of two-phonon states corresponding to the multi-excitation of giant resonances is studied. The calculations are performed within a boson expansion approach and the elementary modes are constructed in random phase approximation (RPA). The rates for direct transition of two-phonon states to the ground state turn out to be not negligibly smaller than those from the (single) giant resonances. The former transitions are accompanied by a γ-ray whose energy is equal to the sum of the two phonon energies. Thus the detection of such high energy γ-rays could provide a signature of the excitation of two-phonon states. (author) 9 refs., 3 tabs

  19. Characterizing phonon dynamics using stochastic sampling

    International Nuclear Information System (INIS)

    Kunal, K.; Aluru, N. R.

    2016-01-01

    Predicting phonon relaxation time from molecular dynamics (MD) requires a long simulation time to compute the mode energy auto-correlation function. Here, we present an alternative approach to infer the phonon life-time from an approximate form of the energy auto-correlation function. The method requires as an input a set of sampled equilibrium configurations. A stochastic sampling method is used to generate the equilibrium configurations. We consider a truncated Taylor series expansion of the phonon energy auto-correlation function. The different terms in the truncated correlation function are obtained using the stochastic sampling approach. The expansion terms, thus, obtained are in good agreement with the corresponding values obtained using MD. We then use the approximate function to compute the phonon relaxation time. The relaxation time computed using this method is compared with that obtained from the exact correlation function. The two values are in agreement with each other.

  20. Influence of phonons on semiconductor quantum emission

    Energy Technology Data Exchange (ETDEWEB)

    Feldtmann, Thomas

    2009-07-06

    A microscopic theory of interacting charge carriers, lattice vibrations, and light modes in semiconductor systems is presented. The theory is applied to study quantum dots and phonon-assisted luminescence in bulk semiconductors and heterostructures. (orig.)

  1. Phonon limited electronic transport in Pb

    Science.gov (United States)

    Rittweger, F.; Hinsche, N. F.; Mertig, I.

    2017-09-01

    We present a fully ab initio based scheme to compute electronic transport properties, i.e. the electrical conductivity σ and thermopower S, in the presence of electron-phonon interaction. We explicitly investigate the \

  2. Phonon broadening in high entropy alloys

    Science.gov (United States)

    Körmann, Fritz; Ikeda, Yuji; Grabowski, Blazej; Sluiter, Marcel H. F.

    2017-09-01

    Refractory high entropy alloys feature outstanding properties making them a promising materials class for next-generation high-temperature applications. At high temperatures, materials properties are strongly affected by lattice vibrations (phonons). Phonons critically influence thermal stability, thermodynamic and elastic properties, as well as thermal conductivity. In contrast to perfect crystals and ordered alloys, the inherently present mass and force constant fluctuations in multi-component random alloys (high entropy alloys) can induce significant phonon scattering and broadening. Despite their importance, phonon scattering and broadening have so far only scarcely been investigated for high entropy alloys. We tackle this challenge from a theoretical perspective and employ ab initio calculations to systematically study the impact of force constant and mass fluctuations on the phonon spectral functions of 12 body-centered cubic random alloys, from binaries up to 5-component high entropy alloys, addressing the key question of how chemical complexity impacts phonons. We find that it is crucial to include both mass and force constant fluctuations. If one or the other is neglected, qualitatively wrong results can be obtained such as artificial phonon band gaps. We analyze how the results obtained for the phonons translate into thermodynamically integrated quantities, specifically the vibrational entropy. Changes in the vibrational entropy with increasing the number of elements can be as large as changes in the configurational entropy and are thus important for phase stability considerations. The set of studied alloys includes MoTa, MoTaNb, MoTaNbW, MoTaNbWV, VW, VWNb, VWTa, VWNbTa, VTaNbTi, VWNbTaTi, HfZrNb, HfMoTaTiZr.

  3. Structure of martensitic phase and phonon instability in Cu61Zn39

    International Nuclear Information System (INIS)

    Konishi, Akio; Kuroiwa, Yoshihiro; Noda, Yukio

    1993-01-01

    In order to study the mechanism of the martensitic phase transformation in Cu 61 Zn 39 , neutron elastic and inelastic scattering experiments were performed at JRR-2 and JRR-3M of JAERI and HFIR or Oak Ridge National Laboratry. Measurements of phonon dispersion curve indicate that the entire TA 2 [110] phonon mode is extremely soft and shows further softening on decreasing temperature. However, no anomalies in dispersion relations found in other directions studied. The structure of the martensite phase was investigated by using a WAND spectrometer on (HHL) and (HKO) planes. Analysis of two-dimensional intensity data indicates that the structure of martensite phase in Cu 61 Zn 39 is slightly different from the 9R' structure reported by Tadaki et al. We propose a mixed phase of a distorted CsCl structure and a three-period lattice as the structure of martensite phase. (author)

  4. Cooling of photoexcited carriers in graphene by internal and substrate phonons

    Science.gov (United States)

    Low, Tony; Perebeinos, Vasili; Kim, Raseong; Freitag, Marcus; Avouris, Phaedon

    2012-07-01

    We investigate the energy relaxation of hot carriers produced by photoexcitation of graphene through coupling to both intrinsic and remote (substrate) surface polar phonons using the Boltzmann equation approach. We find that the energy relaxation of hot photocarriers in graphene on commonly used polar substrates, under most conditions, is dominated by remote surface polar phonons. We also calculate key characteristics of the energy relaxation process, such as the transient cooling time and steady-state carrier temperatures and photocarrier densities, which determine the thermoelectric and photovoltaic photoresponse, respectively. Substrate engineering can be a promising route to efficient optoelectronic devices driven by hot carrier dynamics.

  5. Electron-confined LO-phonon scattering in GaAs-Al0. 45Ga0. 55As ...

    Indian Academy of Sciences (India)

    The dispersion of the relaxation time due to the emission of confined LO-phonons depends strongly on the total energy. Author Affiliations. D Abouelaoualim1. L.P.S.C.M., Physics Department, Faculty of Sciences-Semlalia, BP:2390, 40000, Marrakech, Morocco. Dates. Manuscript received: 6 July 2004; Manuscript revised ...

  6. Rapid Formation of Microbe-Oil Aggregates and Changes in Community Composition in Coastal Surface Water Following Exposure to Oil and the Dispersant Corexit

    Directory of Open Access Journals (Sweden)

    Shawn M. Doyle

    2018-04-01

    Full Text Available During the Deepwater Horizon (DWH oil spill, massive quantities of oil were deposited on the seafloor via a large-scale marine oil-snow sedimentation and flocculent accumulation (MOSSFA event. The role of chemical dispersants (e.g., Corexit applied during the DWH oil spill clean-up in helping or hindering the formation of this MOSSFA event are not well-understood. Here, we present the first experiment related to the DWH oil spill to specifically investigate the relationship between microbial community structure, oil and Corexit®, and marine oil-snow in coastal surface waters. We observed the formation of micron-scale aggregates of microbial cells around droplets of oil and dispersant and found that their rate of formation was directly related to the concentration of oil within the water column. These micro-aggregates are potentially important precursors to the formation of larger marine oil-snow particles. Therefore, our observation that Corexit® significantly enhanced their formation suggests dispersant application may play a role in the development of MOSSFA events. We also observed that microbial communities in marine surface waters respond to oil and oil plus Corexit® differently and much more rapidly than previously measured, with major shifts in community composition occurring within only a few hours of experiment initiation. In the oil-amended treatments without Corexit®, this manifested as an increase in community diversity due to the outgrowth of several putative aliphatic- and aromatic-hydrocarbon degrading genera, including phytoplankton-associated taxa. In contrast, microbial community diversity was reduced in mesocosms containing chemically dispersed oil. Importantly, different consortia of hydrocarbon degrading bacteria responded to oil and chemically dispersed oil, indicating that functional redundancy in the pre-spill community likely results in hydrocarbon consumption in both undispersed and dispersed oils, but by different

  7. Theoretical Analysis of the Relative Significance of Thermodynamic and Kinetic Dispersion in the dc and ac Voltammetry of Surface-Confined Molecules

    KAUST Repository

    Morris, Graham P.

    2015-05-05

    © 2015 American Chemical Society. Commonly, significant discrepancies are reported in theoretical and experimental comparisons of dc voltammograms derived from a monolayer or close to monolayer coverage of redox-active surface-confined molecules. For example, broader-than-predicted voltammetric wave shapes are attributed to the thermodynamic or kinetic dispersion derived from distributions in reversible potentials (E0) and electrode kinetics (k0), respectively. The recent availability of experimentally estimated distributions of E0 and k0 values derived from the analysis of data for small numbers of surface-confined modified azurin metalloprotein molecules now allows more realistic modeling to be undertaken, assuming the same distributions apply under conditions of high surface coverage relevant to voltammetric experiments. In this work, modeling based on conventional and stochastic kinetic theory is considered, and the computationally far more efficient conventional model is shown to be equivalent to the stochastic one when large numbers of molecules are present. Perhaps unexpectedly, when experimentally determined distributions of E0 and k0 are input into the model, thermodynamic dispersion is found to be unimportant and only kinetic dispersion contributes significantly to the broadening of dc voltammograms. Simulations of ac voltammetric experiments lead to the conclusion that the ac method, particularly when the analysis of kinetically very sensitive higher-order harmonics is undertaken, are far more sensitive to kinetic dispersion than the dc method. ac methods are therefore concluded to provide a potentially superior strategy for addressing the inverse problem of determining the k0 distribution that could give rise to the apparent anomalies in surface-confined voltammetry.

  8. Structural and mechanical properties of "peelable" organoaqueous dispersions with partially hydrolyzed poly(vinyl acetate)-borate networks: applications to cleaning painted surfaces.

    Science.gov (United States)

    Natali, Irene; Carretti, Emiliano; Angelova, Lora; Baglioni, Piero; Weiss, Richard G; Dei, Luigi

    2011-11-01

    The preparation and structural characterization of a family of viscoelastic dispersions of borate cross-linked, 80% hydrolyzed poly(vinyl acetate) (80PVAc) in aqueous-organic liquids are presented. Correlations between mechanical properties (from rheological measurements) and the degree and nature of cross-linking (from (11)B NMR spectroscopy) are reported, and the results are used to assess their potential as low-impact cleaning agents for the surfaces of paintings. Because the dispersions can be prepared at room temperature by simple procedures from readily available materials and can contain up to 50% (w/w) of an organic liquid, they offer important advantages over previously described cleaning agents that are based on fully hydrolyzed PVAc (i.e., poly(vinyl alcohol). The mechanical properties of the various aqueous-organic dispersions, as determined quantitatively by rheological investigations and qualitatively by their ease of removal from a solid surface (i.e., the so-called "peel-off" ability) have been tuned systematically by varying the amount of organic liquid, its structure, and the concentrations of borax and 80PVAc. The (11)B NMR studies demonstrate that the concentration of borate ions actively participating in cross-linking increases significantly with the amount of organic liquid in the mixture. The degree of cross-linking remains constant when the 80PVAc and borax concentrations are varied, as long as their ratios are kept constant. Some of the 80PVAc-borax dispersions have been tested successfully as cleaning agents on the surface of a 16th-17th century oil-on-wood painting by Lodovico Cardi, "Il Cigoli", that was covered by a brown patina and on the surface of a Renaissance wall painting by Vecchietta in Santa Maria della Scala, Siena, Italy, that had a degraded polyacrylate coating from a previous conservation treatment.

  9. Ab initio phonon thermal transport in monolayer InSe, GaSe, GaS, and alloys

    Science.gov (United States)

    Pandey, Tribhuwan; Parker, David S.; Lindsay, Lucas

    2017-11-01

    We compare vibrational properties and phonon thermal conductivities (κ) of monolayer InSe, GaSe, and GaS systems using density functional theory and Peierls-Boltzmann transport methods. In going from InSe to GaSe to GaS, system mass decreases giving both increasing acoustic phonon velocities and decreasing scattering of these heat-carrying modes with optic phonons, ultimately giving {κ }{InSe}conservation conditions with mode scattering rates and phonon dispersions for each material. We also show that, unlike flat monolayer systems such as graphene, in InSe, GaSe and GaS thermal transport is governed by in-plane vibrations. Alloying of InSe, GaSe, and GaS systems provides an effective method for modulating their κ through intrinsic vibrational modifications and phonon scattering from mass disorder giving reductions ˜2-3.5 times. This disorder also suppresses phonon mean free paths in the alloy systems compared to those in their crystalline counterparts. This work provides fundamental insights of lattice thermal transport from basic vibrational properties for an interesting set of two-dimensional materials.

  10. Lattice dynamics and electron-phonon coupling on Mn1-xFexSi: effect of magnetism

    Science.gov (United States)

    Gonzalez Castelazo, Paola; de La Peã+/-A Seaman, Omar; Heid, Rolf; Bohnen, Klaus-Peter

    We have studied the electronic, lattice dynamics, and electron-phonon (e-ph) coupling properties of the Mn1-xFexSi alloy. This system have been analyzed within the framework of density functional perturbation theory, using a mixed-basis pseudopotential method and the virtual crystal approximation (VCA) for modeling the alloy. In particular, the electronic density of states (DOS), the full-phonon dispersion, as well as the electron-phonon coupling (λ) and the phonon linewidth (γ) have been calculated with and without the inclusion of spin polarization. While for FeSi is very well known that the effects of magnetism on the lattice dynamics are observed trough the phonon linewidths for specific regions on the zone boundary, on MnSi such detail analysis has not been addressed so far. Thus, the evolution of phonon frequencies and linewidths as a function of Fe-content are presented and discussed in detail, paying special attention the effect of spin-polarization on such properties for the magnetic region on the phase diagram x Conacyt-México under project No. CB2013-221807-F.

  11. Squeezed Phonons: Modulating Quantum Fluctuations of Atomic Displacements.

    Science.gov (United States)

    Hu, Xuedong; Nori, Franco

    1997-03-01

    We have studied phonon squeezed states and also put forward several proposals for their generation(On phonon parametric process, X. Hu and F. Nori, Phys. Rev. Lett. 76), 2294 (1996); on polariton mechanism, X. Hu and F. Nori, Phys. Rev. B 53, 2419 (1996); on second-order Raman scattering, X. Hu and F. Nori, preprint.. Here, we compare the relative merits and limitations of these approaches, including several factors that will limit the amount of phonon squeezing. In particular, we investigate the effect of the initial thermal states on the phonon modes. Using a model for the phonon density matrix, we also study the mixing of the phonon squeezed states with thermal states, which describes the decay of the phonon coherence. Finally, we calculate the maximum possible squeezing from a phonon parametric process limited by phonon decay.

  12. Analysis of Longitudinal Waves in Rod-Type Piezoelectric Phononic Crystals

    Directory of Open Access Journals (Sweden)

    Longfei Li

    2016-04-01

    Full Text Available Phononic crystals can be used to control elastic waves due to their frequency bands. This paper analyzes the passive and active control as well as the dispersion properties of longitudinal waves in rod-type piezoelectric phononic crystals over large frequency ranges. Based on the Love rod theory for modeling the longitudinal wave motions in the constituent rods and the method of reverberation-ray matrix (MRRM for deriving the member transfer matrices of the constituent rods, a modified transfer matrix method (MTMM is proposed for the analysis of dispersion curves by combining with the Floquet–Bloch principle and for the calculation of transmission spectra. Numerical examples are provided to validate the proposed MTMM for analyzing the band structures in both low and high frequency ranges. The passive control of longitudinal-wave band structures is studied by discussing the influences of the electrode’s thickness, the Poisson’s effect and the elastic rod inserts in the unit cell. The influences of electrical boundaries (including electric-open, applied electric capacity, electric-short and applied feedback control conditions on the band structures are investigated to illustrate the active control scheme. From the calculated comprehensive frequency spectra over a large frequency range, the dispersion properties of the characteristic longitudinal waves in rod-type piezoelectric phononic crystals are summarized.

  13. Phonon Sensor Dynamics for Cryogenic Dark Matter Search Experiment

    Energy Technology Data Exchange (ETDEWEB)

    Yen, Jeffrey [Stanford Univ., CA (United States)

    2015-01-01

    Understanding the quasiparticle diffusion process inside sputtered aluminum (Al thin films (~ 0.1-1 μm is critical for the Cryogenic Dark Matter Search (CDMS experiment to further optimize its detectors to directly search for dark matter. An initial study with Al films was undertaken by our group ~ 20 years ago, but some important questions were not answered at the time. This thesis can be considered a continuation of that critical study. The CDMS experiment utilizes high purity silicon and germanium crystals to simultaneously measure ionization and phonons created by particle interactions. In addition to describing some of the rich physics involved in simultaneously detecting ionization and phonons with a CDMS detector, this thesis focuses on the detailed physics of the phonon sensors themselves, which are patterned onto CDMS detector surfaces. CDMS detectors use thin sputtered Al films to collect phonon energy when it propagates to the surfaces of the detector crystals. The phonon energy breaks Cooper pairs and creates quasiparticles (qps). These qps diffuse until they get trapped in an proximitized “overlap” region where lower-Tc tungsten films connect to the Al film. These tungsten films are the transition edge sensors (W-TESs CDMS uses to readout phonon signals. We performed a wide range of experiments using several sets of test devices designed and fabricated specifically for this work. The devices were used mostly to study quasiparticle (qp transport in Al films and qp transmission through Al/W interfaces. The results of this work are being used to optimize the design of detectors for SuperCDMS SNOLAB. This thesis is intended for CDMS collaborators who are interested in knowing more about the detailed fundamentals of how our phonon sensors work so they can take full advantage of their benefits. However, this work can also be read by general readers who are interested in particle detection using TES technology. This thesis contains eight chapters. The

  14. Renormalized Phonon Microstructures at High Temperatures from First-Principles Calculations: Methodologies and Applications in Studying Strong Anharmonic Vibrations of Solids

    Directory of Open Access Journals (Sweden)

    Tian Lan

    2016-01-01

    Full Text Available While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation, at high temperatures, this understanding must accommodate how phonons interact with other phonons or with other excitations. To date the anharmonic lattice dynamics is poorly understood despite its great importance, and most studies still rely on the quasiharmonic approximations. We shall see that the phonon-phonon interactions give rise to interesting coupling problems and essentially modify the equilibrium and nonequilibrium properties of materials, for example, thermal expansion, thermodynamic stability, heat capacity, optical properties, thermal transport, and other nonlinear properties of materials. The review aims to introduce some recent developements of computational methodologies that are able to efficiently model the strong phonon anharmonicity based on quantum perturbation theory of many-body interactions and first-principles molecular dynamics simulations. The effective potential energy surface of renormalized phonons and structures of the phonon-phonon interaction channels can be derived from these interdependent methods, which provide both macroscopic and microscopic perspectives in analyzing the strong anharmonic phenomena while the traditional harmonic models fail dramatically. These models have been successfully performed in the studies on the temperature-dependent broadenings of Raman and neutron scattering spectra, high temperature phase stability, and negative thermal expansion of rutile and cuprite structures, for example.

  15. Engineering the hypersonic phononic band gap of hybrid Bragg stacks.

    Science.gov (United States)

    Schneider, Dirk; Liaqat, Faroha; El Boudouti, El Houssaine; El Hassouani, Youssef; Djafari-Rouhani, Bahram; Tremel, Wolfgang; Butt, Hans-Jürgen; Fytas, George

    2012-06-13

    We report on the full control of phononic band diagrams for periodic stacks of alternating layers of poly(methyl methacrylate) and porous silica combining Brillouin light scattering spectroscopy and theoretical calculations. These structures exhibit large and robust on-axis band gaps determined by the longitudinal sound velocities, densities, and spacing ratio. A facile tuning of the gap width is realized at oblique incidence utilizing the vector nature of the elastic wave propagation. Off-axis propagation involves sagittal waves in the individual layers, allowing access to shear moduli at nanoscale. The full theoretical description discerns the most important features of the hypersonic one-dimensional crystals forward to a detailed understanding, a precondition to engineer dispersion relations in such structures.

  16. Seismic isolation of buildings on two dimensional phononic crystal foundation

    Science.gov (United States)

    Han, Lin; Li, Xiao-mei; Zhang, Yan

    2017-11-01

    In order to realize the seismic isolation of buildings, we establish the two dimensional phononic crystal (PC) foundation which has the cell with the size close to the regular concrete test specimens, and is composed of the concrete base, rubber coating and lead cylindrical core. We study the in-plane band gap (BG) characteristics in it, through the analysis of the frequency dispersion relation and frequency response result. To lower the start BG frequency to the seismic frequency range, we also study the influences of material parameters (the elastic modulus of coating and density of cylindrical core) and geometry parameters (the thickness of coating, radius of cylindrical core and lattice constant) on BG ranges. The study could help to design the PC foundation for seismic isolation of building.

  17. Acoustic cloaking by a near-zero-index phononic crystal

    KAUST Repository

    Zheng, Li-Yang

    2014-04-21

    Zero-refractive-index materials may lead to promising applications in various fields. Here, we design and fabricate a near Zero-Refractive-Index (ZRI) material using a phononic crystal (PC) composed of a square array of densely packed square iron rods in air. The dispersion relation exhibits a nearly flat band across the Brillouin zone at the reduced frequency f  = 0.5443c/a, which is due to Fabry-Perot (FP) resonance. By using a retrieval method, we find that both the effective mass density and the reciprocal of the effective bulk modulus are close to zero at frequencies near the flat band. We also propose an equivalent tube network model to explain the mechanisms of the near ZRI effect. This FP-resonance-induced near ZRI material offers intriguing wave manipulation properties. We demonstrate both numerically and experimentally its ability to shield a scattering obstacle and guide acoustic waves through a bent structure.

  18. Visualizing Dispersion Interactions

    Science.gov (United States)

    Gottschalk, Elinor; Venkataraman, Bhawani

    2014-01-01

    An animation and accompanying activity has been developed to help students visualize how dispersion interactions arise. The animation uses the gecko's ability to walk on vertical surfaces to illustrate how dispersion interactions play a role in macroscale outcomes. Assessment of student learning reveals that students were able to develop…

  19. Phonon Raman spectra of colloidal CdTe nanocrystals: effect of size, non-stoichiometry and ligand exchange

    Directory of Open Access Journals (Sweden)

    Lokteva Irina

    2011-01-01

    Full Text Available Abstract Resonant Raman study reveals the noticeable effect of the ligand exchange on the nanocrystal (NC surface onto the phonon spectra of colloidal CdTe NC of different size and composition. The oleic acid ligand exchange for pyridine ones was found to change noticeably the position and width of the longitudinal optical (LO phonon mode, as well as its intensity ratio to overtones. The broad shoulder above the LO peak frequency was enhanced and sharpened after pyridine treatment, as well as with decreasing NC size. The low-frequency mode around 100 cm-1 which is commonly related with the disorder-activated acoustical phonons appears in smaller NCs but is not enhanced after pyridine treatment. Surprisingly, the feature at low-frequency shoulder of the LO peak, commonly assigned to the surface optical phonon mode, was not sensitive to ligand exchange and concomitant close packing of the NCs. An increased structural disorder on the NC surface, strain and modified electron-phonon coupling is discussed as the possible reason of the observed changes in the phonon spectrum of ligand-exchanged CdTe NCs. PACS: 63.20.-e, 78.30.-j, 78.67.-n, 78.67.Bf

  20. Ionizing particle detection based on phononic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Aly, Arafa H., E-mail: arafa16@yahoo.com, E-mail: arafa.hussien@science.bsu.edu.eg; Mehaney, Ahmed; Eissa, Mostafa F. [Physics Department, Faculty of Science, Beni-Suef University, Beni-Suef (Egypt)

    2015-08-14

    Most conventional radiation detectors are based on electronic or photon collections. In this work, we introduce a new and novel type of ionizing particle detector based on phonon collection. Helium ion radiation treats tumors with better precision. There are nine known isotopes of helium, but only helium-3 and helium-4 are stable. Helium-4 is formed in fusion reactor technology and in enormous quantities during Big Bang nucleo-synthesis. In this study, we introduce a technique for helium-4 ion detection (sensing) based on the innovative properties of the new composite materials known as phononic crystals (PnCs). PnCs can provide an easy and cheap technique for ion detection compared with conventional methods. PnC structures commonly consist of a periodic array of two or more materials with different elastic properties. The two materials are polymethyl-methacrylate and polyethylene polymers. The calculations showed that the energies lost to target phonons are maximized at 1 keV helium-4 ion energy. There is a correlation between the total phonon energies and the transmittance of PnC structures. The maximum transmission for phonons due to the passage of helium-4 ions was found in the case of making polyethylene as a first layer in the PnC structure. Therefore, the concept of ion detection based on PnC structure is achievable.

  1. Assessing the performance of dispersionless and dispersion-accounting methods: helium interaction with cluster models of the TiO2(110) surface.

    Science.gov (United States)

    de Lara-Castells, María Pilar; Stoll, Hermann; Mitrushchenkov, Alexander O

    2014-08-21

    As a prototypical dispersion-dominated physisorption problem, we analyze here the performance of dispersionless and dispersion-accounting methodologies on the helium interaction with cluster models of the TiO2(110) surface. A special focus has been given to the dispersionless density functional dlDF and the dlDF+Das construction for the total interaction energy (K. Pernal, R. Podeswa, K. Patkowski, and K. Szalewicz, Phys. Rev. Lett. 2009, 109, 263201), where Das is an effective interatomic pairwise functional form for the dispersion. Likewise, the performance of symmetry-adapted perturbation theory (SAPT) method is evaluated, where the interacting monomers are described by density functional theory (DFT) with the dlDF, PBE, and PBE0 functionals. Our benchmarks include CCSD(T)-F12b calculations and comparative analysis on the nuclear bound states supported by the He-cluster potentials. Moreover, intra- and intermonomer correlation contributions to the physisorption interaction are analyzed through the method of increments (H. Stoll, J. Chem. Phys. 1992, 97, 8449) at the CCSD(T) level of theory. This method is further applied in conjunction with a partitioning of the Hartree-Fock interaction energy to estimate individual interaction energy components, comparing them with those obtained using the different SAPT(DFT) approaches. The cluster size evolution of dispersionless and dispersion-accounting energy components is then discussed, revealing the reduced role of the dispersionless interaction and intramonomer correlation when the extended nature of the surface is better accounted for. On the contrary, both post-Hartree-Fock and SAPT(DFT) results clearly demonstrate the high-transferability character of the effective pairwise dispersion interaction whatever the cluster model is. Our contribution also illustrates how the method of increments can be used as a valuable tool not only to achieve the accuracy of CCSD(T) calculations using large cluster models but also to

  2. Asymptotic Analysis of High-Contrast Phononic Crystals and a Criterion for the Band-Gap Opening

    OpenAIRE

    Ammari, H.; Kang, H.; Lee, H.

    2006-01-01

    We investigate the band-gap structure of the frequency spectrum for elastic waves in a high-contrast, two-component periodic elastic medium. We consider two-dimensional phononic crystals consisting of a background medium which is perforated by an array of holes periodic along each of the two orthogonal coordinate axes. In this paper we establish a full asymptotic formula for dispersion relations of phononic band structures as the contrast of the shear modulus and that of the density become la...

  3. Ultra-directional source of longitudinal acoustic waves based on a two-dimensional solid/solid phononic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Morvan, B.; Tinel, A.; Sainidou, R.; Rembert, P. [Laboratoire Ondes et Milieux Complexes, UMR CNRS 6294, Université du Havre, 75 rue Bellot, 76058 Le Havre (France); Vasseur, J. O.; Hladky-Hennion, A.-C. [Institut d' Electronique, de Micro-électronique et de Nanotechnologie, UMR CNRS 8520, Cité Scientifique, 59652 Villeneuve d' Ascq Cedex (France); Swinteck, N.; Deymier, P. A. [Department of Materials Science and Engineering, University of Arizona, Tucson, Arizona 85721 (United States)

    2014-12-07

    Phononic crystals (PC) can be used to control the dispersion properties of acoustic waves, which are essential to direct their propagation. We use a PC-based two-dimensional solid/solid composite to demonstrate experimentally and theoretically the spatial filtering of a monochromatic non-directional wave source and its emission in a surrounding water medium as an ultra-directional beam with narrow angular distribution. The phenomenon relies on square-shaped equifrequency contours (EFC) enabling self-collimation of acoustic waves within the phononic crystal. Additionally, the angular width of collimated beams is controlled via the EFC size-shrinking when increasing frequency.

  4. Electron-phonon interactions in n-type In0.53Ga0.47As and In0.52Al0.48As studied by inelastic light scattering

    Science.gov (United States)

    Maslar, J. E.; Dorsten, J. F.; Bohn, P. W.; Agarwala, S.; Adesida, I.; Caneau, C.; Bhat, R.

    1994-12-01

    Room-temperature Raman spectroscopy was used to characterize n-type-doped In0.53Ga0.47As and In0.52Al0.48As layers by observing coupled longitudinal-optical (LO) -phonon-plasmon mode spectra as a function of carrier density. Carrier densities determined from the high-frequency L+ coupled mode shift in the Raman spectra were compared to carrier densities determined from electrochemical capacitance-voltage profiling measurements. In In0.53Ga0.47As with carrier densities n<=8×1017 cm-3 accurate determination of carrier densities from the Raman spectra was hindered by Landau damping and small L+ mode dispersion. Better agreement between the two techniques was observed in In0.53Ga0.47As and In0.52Al0.48As for carrier densities of about 8×1017 cm-3 and higher, doping levels at which Landau damping is less pronounced. Surface band bending was evaluated from changes in Raman intensity as a function of carrier density of dipole-allowed LO-phonon modes originating in the surface space-charge region. Values for the surface built-in potential determined from the Raman spectra were found to be smaller than those obtained from electrical measurements. The discrepancy is attributed to screening of the surface dipole by photogenerated carriers.

  5. Aqueously Dispersed Silver Nanoparticle-Decorated Boron Nitride Nanosheets for Reusable, Thermal Oxidation-Resistant Surface Enhanced Raman Spectroscopy (SERS) Devices

    Science.gov (United States)

    Lin, Yi; Bunker, Christopher E.; Fernandos, K. A. Shiral; Connell, John W.

    2012-01-01

    The impurity-free aqueous dispersions of boron nitride nanosheets (BNNS) allowed the facile preparation of silver (Ag) nanoparticle-decorated BNNS by chemical reduction of an Ag salt with hydrazine in the presence of BNNS. The resultant Ag-BNNS nanohybrids remained dispersed in water, allowing convenient subsequent solution processing. By using substrate transfer techniques, Ag-BNNS nanohybrid thin film coatings on quartz substrates were prepared and evaluated as reusable surface enhanced Raman spectroscopy (SERS) sensors that were robust against repeated solvent washing. In addition, because of the unique thermal oxidation-resistant properties of the BNNS, the sensor devices may be readily recycled by short-duration high temperature air oxidation to remove residual analyte molecules in repeated runs. The limiting factor associated with the thermal oxidation recycling process was the Ostwald ripening effect of Ag nanostructures.

  6. BaTiO{sub 3}–P(VDF-HFP) nanocomposite dielectrics—Influence of surface modification and dispersion additives

    Energy Technology Data Exchange (ETDEWEB)

    Ehrhardt, Claudia; Fettkenhauer, Christian [Institute of Chemistry, Martin-Luther-University Halle-Wittenberg, Kurt-Mothes-Straße 2, D-06120 Halle/Saale (Germany); Glenneberg, Jens [Interdisciplinary Centre of Materials Science, Martin-Luther-University Halle-Wittenberg, Heinrich-Damerow-Straße 4, D-06120 Halle/Saale (Germany); Münchgesang, Wolfram; Pientschke, Christoph [Institute of Physics, Martin-Luther-University Halle-Wittenberg, Von-Danckelmann-Platz 3, D-06120 Halle/Saale (Germany); Großmann, Thomas; Zenkner, Mandy [Institute of Chemistry, Martin-Luther-University Halle-Wittenberg, Kurt-Mothes-Straße 2, D-06120 Halle/Saale (Germany); Wagner, Gerald; Leipner, Hartmut S.; Buchsteiner, Alexandra [Interdisciplinary Centre of Materials Science, Martin-Luther-University Halle-Wittenberg, Heinrich-Damerow-Straße 4, D-06120 Halle/Saale (Germany); Diestelhorst, Martin; Lemm, Sebastian; Beige, Horst [Institute of Physics, Martin-Luther-University Halle-Wittenberg, Von-Danckelmann-Platz 3, D-06120 Halle/Saale (Germany); Ebbinghaus, Stefan G., E-mail: stefan.ebbinghaus@chemie.uni-halle.de [Institute of Chemistry, Martin-Luther-University Halle-Wittenberg, Kurt-Mothes-Straße 2, D-06120 Halle/Saale (Germany)

    2013-08-01

    Highlights: • Polymer composites were prepared using a sol–gel synthesized BaTiO{sub 3}. • BaTiO{sub 3} surface hydroxyle groups act as linkers for surfactant molecules. • The effect of chemical adjustment between surfactant and polymer host is studied. • A positive effect of an additional dispersant was found. • Dielectric properties of the resulting composite films are presented. -- Abstract: We report on BaTiO{sub 3}–polymer composites as dielectrics for film capacitors. BaTiO{sub 3} was synthesized by a sol–gel soft-chemistry method leading to spherical nanoparticles with a high degree of surface hydroxyl groups which turned out to be important for the bonding of surfactant molecules. As surfactants, n-octylphosphonic acid and 2,3,4,5,6-pentafluorobenzyl phosphonic acid were used to inhibit particle agglomeration and to improve the wetting behaviour with the polymer. The phosphonic acid-coated BaTiO{sub 3} nanoparticles were dispersed in solutions of poly(vinylidefluoride-co-hexafluoropropylene). Composite films were prepared by the spin-coating technique. A systematic study was performed on the influence of varying oxide fractions, different surfactants and the effect of additional dispersion aids such as sodium dodecyl sulphate or BYK-W 9010 on the quality and dielectric properties of the films obtained. The chemical adjustment of the 2,3,4,5,6-pentaflourobenzyl phosphonic acid within the fluorinated organic host form a more uniform particle distribution and increase relative permittivity of the resulting composite material compared to the unflourinated surfactant. Additionally, an enhancement of the relative permittivity can be realized by adding of dispersants. These two components can increase the relative permittivity by factor 5 compared to the pure polymer material.

  7. Phonon focusing and electron–phonon drag in semiconductor crystals with degenerate charge-carrier statistics

    Energy Technology Data Exchange (ETDEWEB)

    Kuleyev, I. G., E-mail: kuleev@imp.uran.ru; Kuleyev, I. I.; Bakharev, S. M.; Ustinov, V. V. [Russian Academy of Sciences, Institute of Metal Physics, Ural Branch (Russian Federation)

    2016-09-15

    We study the effect of anisotropy in elastic properties on the electron–phonon drag and thermoelectric phenomena in gapless semiconductors with degenerate charge-carrier statistics. It is shown that phonon focusing leads to a number of new effects in the drag thermopower at low temperatures, when diffusive phonon scattering from the boundaries is the predominant relaxation mechanism. We analyze the effect of phonon focusing on the dependences of the thermoelectromotive force (thermopower) in HgSe:Fe crystals on geometric parameters and the heat-flow directions relative to the crystal axes in the Knudsen regime of the phonon gas flow. The crystallographic directions that ensure the maximum and minimum values of the thermopower are determined and the role of quasi-longitudinal and quasi-transverse phonons in the drag thermopower in HgSe:Fe crystals at low temperatures is analyzed. It is shown that the main contribution to the drag thermopower comes from slow quasi-transverse phonons in the directions of focusing in long samples.

  8. Electron and phonon transport in silicon nanowires: Atomistic approach to thermoelectric properties

    DEFF Research Database (Denmark)

    Markussen, Troels; Jauho, Antti-Pekka; Brandbyge, Mads

    2009-01-01

    vacancies. It is shown that the average phonon and electron transmissions through long SiNWs containing many vacancies can be accurately estimated from the scattering properties of the isolated vacancies using a recently proposed averaging method [Markussen et al., Phys. Rev. Lett. 99, 076803 (2007)]. We...... apply this averaging method to surface disordered SiNWs in the diameter range of 1–3 nm to compute the thermoelectric figure of merit ZT. It is found that the phonon transmission is affected more by the vacancies than the electronic transmission leading to an increased thermoelectric performance...

  9. The effect of n- and p-type doping on coherent phonons in GaN

    Science.gov (United States)

    Ishioka, Kunie; Kato, Keiko; Ohashi, Naoki; Haneda, Hajime; Kitajima, Masahiro; Petek, Hrvoje

    2013-05-01

    The effect of doping on the carrier-phonon interaction in wurtzite GaN is investigated by pump-probe reflectivity measurements using 3.1 eV light in near resonance with the fundamental band gap of 3.39 eV. Coherent modulations of the reflectivity due to the E2 and A1(LO) modes, as well as the 2A1(LO) overtone are observed. Doping of acceptor and donor atoms enhances the dephasing of the polar A1(LO) phonon via coupling with plasmons, with the effect of donors being stronger. Doping also enhances the relative amplitude of the coherent A1(LO) phonon with respect to that of the high-frequency E2 phonon, though it does not affect the relative intensity in Raman spectroscopic measurements. We attribute this enhanced coherent amplitude to the transient depletion field screening (TDFS) excitation mechanism, which, in addition to impulsive stimulated Raman scattering (ISRS), contributes to the generation of coherent polar phonons even for sub-band gap excitation. Because the TDFS mechanism requires photoexcitation of carriers, we argue that the interband transition is made possible at a surface with photon energies below the bulk band gap through the Franz-Keldysh effect.

  10. Phonon tunneling through a double barrier system

    Energy Technology Data Exchange (ETDEWEB)

    Villegas, Diosdado [Departamento de Física, Universidad Central “Marta Abreu” de Las Villas, CP 54830, Santa Clara, Villa Clara (Cuba); Instituto de Física, Universidad Autónoma de Puebla, 18 Sur y San Claudio, Edif. 110A, Ciudad Universitaria, 72570 Puebla (Mexico); León-Pérez, Fernando de [Centro Universitario de la Defensa de Zaragoza, Ctra. de Huesca s/n, E-50090 Zaragoza (Spain); Pérez-Álvarez, R. [Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, CP 62209 Cuernavaca (Mexico); Arriaga, J., E-mail: arriaga@ifuap.buap.mx [Instituto de Física, Universidad Autónoma de Puebla, 18 Sur y San Claudio, Edif. 110A, Ciudad Universitaria, 72570 Puebla (Mexico)

    2015-04-15

    The tunneling of optical and acoustic phonons at normal incidence on a double-barrier is studied in this paper. Transmission coefficients and resonance conditions are derived theoretically under the assumption that the long-wavelength approximation is valid. It is shown that the behavior of the transmission coefficients for the symmetric double barrier has a Lorentzian form close to resonant frequencies and that Breit–Wigner's formula have a general validity in one-dimensional phonon tunneling. Authors also study the so-called generalized Hartman effect in the tunneling of long-wavelength phonons and show that this effect is a numerical artifact resulting from taking the opaque limit before exploring the variation with a finite barrier width. This study could be useful for the design of acoustic devices.

  11. Phonon tunneling through a double barrier system

    International Nuclear Information System (INIS)

    Villegas, Diosdado; León-Pérez, Fernando de; Pérez-Álvarez, R.; Arriaga, J.

    2015-01-01

    The tunneling of optical and acoustic phonons at normal incidence on a double-barrier is studied in this paper. Transmission coefficients and resonance conditions are derived theoretically under the assumption that the long-wavelength approximation is valid. It is shown that the behavior of the transmission coefficients for the symmetric double barrier has a Lorentzian form close to resonant frequencies and that Breit–Wigner's formula have a general validity in one-dimensional phonon tunneling. Authors also study the so-called generalized Hartman effect in the tunneling of long-wavelength phonons and show that this effect is a numerical artifact resulting from taking the opaque limit before exploring the variation with a finite barrier width. This study could be useful for the design of acoustic devices

  12. Electrical resistivity due to electron-phonon scattering in thin gadolinium films

    International Nuclear Information System (INIS)

    Urbaniak-Kucharczyk, A.

    1988-01-01

    The contribution to the electrical resistivity due to the electron-phonon scattering for the special case of h.c.p. structure is derived. The numerical results obtained for the case of polycrystalline gadolinum films show the resistivity dependence on the film thickness and the surface properties. (author)

  13. Nonequilibrium phonon effects in midinfrared quantum cascade lasers

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Y. B., E-mail: yshi9@wisc.edu; Knezevic, I., E-mail: knezevic@engr.wisc.edu [Department of Electrical and Computer Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706-1691 (United States)

    2014-09-28

    We investigate the effects of nonequilibrium phonon dynamics on the operation of a GaAs-based midinfrared quantum cascade laser over a range of temperatures (77–300 K) via a coupled ensemble Monte Carlo simulation of electron and optical-phonon systems. Nonequilibrium phonon effects are shown to be important below 200 K. At low temperatures, nonequilibrium phonons enhance injection selectivity and efficiency by drastically increasing the rate of interstage electron scattering from the lowest injector state to the next-stage upper lasing level via optical-phonon absorption. As a result, the current density and modal gain at a given field are higher and the threshold current density lower and considerably closer to experiment than results obtained with thermal phonons. By amplifying phonon absorption, nonequilibrium phonons also hinder electron energy relaxation and lead to elevated electronic temperatures.

  14. Toward quantitative modeling of silicon phononic thermocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Lacatena, V. [STMicroelectronics, 850, rue Jean Monnet, F-38926 Crolles (France); IEMN UMR CNRS 8520, Institut d' Electronique, de Microélectronique et de Nanotechnologie, Avenue Poincaré, F-59652 Villeneuve d' Ascq (France); Haras, M.; Robillard, J.-F., E-mail: jean-francois.robillard@isen.iemn.univ-lille1.fr; Dubois, E. [IEMN UMR CNRS 8520, Institut d' Electronique, de Microélectronique et de Nanotechnologie, Avenue Poincaré, F-59652 Villeneuve d' Ascq (France); Monfray, S.; Skotnicki, T. [STMicroelectronics, 850, rue Jean Monnet, F-38926 Crolles (France)

    2015-03-16

    The wealth of technological patterning technologies of deca-nanometer resolution brings opportunities to artificially modulate thermal transport properties. A promising example is given by the recent concepts of 'thermocrystals' or 'nanophononic crystals' that introduce regular nano-scale inclusions using a pitch scale in between the thermal phonons mean free path and the electron mean free path. In such structures, the lattice thermal conductivity is reduced down to two orders of magnitude with respect to its bulk value. Beyond the promise held by these materials to overcome the well-known “electron crystal-phonon glass” dilemma faced in thermoelectrics, the quantitative prediction of their thermal conductivity poses a challenge. This work paves the way toward understanding and designing silicon nanophononic membranes by means of molecular dynamics simulation. Several systems are studied in order to distinguish the shape contribution from bulk, ultra-thin membranes (8 to 15 nm), 2D phononic crystals, and finally 2D phononic membranes. After having discussed the equilibrium properties of these structures from 300 K to 400 K, the Green-Kubo methodology is used to quantify the thermal conductivity. The results account for several experimental trends and models. It is confirmed that the thin-film geometry as well as the phononic structure act towards a reduction of the thermal conductivity. The further decrease in the phononic engineered membrane clearly demonstrates that both phenomena are cumulative. Finally, limitations of the model and further perspectives are discussed.

  15. Controlling competing orders via nonequilibrium acoustic phonons: Emergence of anisotropic effective electronic temperature

    Science.gov (United States)

    Schütt, Michael; Orth, Peter P.; Levchenko, Alex; Fernandes, Rafael M.

    2018-01-01

    Ultrafast perturbations offer a unique tool to manipulate correlated systems due to their ability to promote transient behaviors with no equilibrium counterpart. A widely employed strategy is the excitation of coherent optical phonons, as they can cause significant changes in the electronic structure and interactions on short time scales. One of the issues, however, is the inevitable heating that accompanies these resonant excitations. Here, we explore a promising alternative route: the nonequilibrium excitation of acoustic phonons, which, due to their low excitation energies, generally lead to less heating. We demonstrate that driving acoustic phonons leads to the remarkable phenomenon of a momentum-dependent effective temperature, by which electronic states at different regions of the Fermi surface are subject to distinct local temperatures. Such an anisotropic effective electronic temperature can have a profound effect on the delicate balance between competing ordered states in unconventional superconductors, opening a so far unexplored avenue to control correlated phases.

  16. Direct correlation of observed phonon anomalies and maxima in the generalized susceptibilities of transition metal carbides

    International Nuclear Information System (INIS)

    Gupta, M.J.; Freeman, A.B.

    1976-01-01

    The generalized susceptibility, chi(q), of both NbC and TaC determined from APW energy band calculations show large maxima to occur at precisely those q/sub max/ values at which soft phonon modes were observed by Smith. Maxima in chi(q) are predicted for other directions. The locus of these q/sub max/ values can be represented by a warped cube of dimension approximately 1.2(2π/a) in momentum space--in striking agreement with the soft mode surface proposed phenomenologically by Weber. In sharp contrast, the chi(q) calculated for both ZrC and HfC--for which no phonon anomalies have been observed--fall off in all symmetry directions away from the zone center. The phonon anomalies in the transition metal carbides are thus interpreted as due to an ''overscreening'' effect resulting from an anomalous increase of the response function of the conduction electrons

  17. Shear wave velocity model beneath CBJI station West Java, Indonesia from joint inversion of teleseismic receiver functions and surface wave dispersion

    Science.gov (United States)

    Simanungkalit, R. H.; Anggono, T.; Syuhada; Amran, A.; Supriyanto

    2018-03-01

    Earthquake signal observations around the world allow seismologists to obtain the information of internal structure of the Earth especially the Earth’s crust. In this study, we used joint inversion of receiver functions and surface wave group velocities to investigate crustal structure beneath CBJI station in West Java, Indonesia. Receiver function were calculated from earthquakes with magnitude more than 5 and at distance 30°-90°. Surface wave group velocities were calculated using frequency time analysis from earthquakes at distance of 30°- 40°. We inverted shear wave velocity model beneath the station by conducting joint inversion from receiver functions and surface wave dispersions. We suggest that the crustal thickness beneath CBJI station, West Java, Indonesia is about 35 km.

  18. Self-consistency in the phonon space of the particle-phonon coupling model

    Science.gov (United States)

    Tselyaev, V.; Lyutorovich, N.; Speth, J.; Reinhard, P.-G.

    2018-04-01

    In the paper the nonlinear generalization of the time blocking approximation (TBA) is presented. The TBA is one of the versions of the extended random-phase approximation (RPA) developed within the Green-function method and the particle-phonon coupling model. In the generalized version of the TBA the self-consistency principle is extended onto the phonon space of the model. The numerical examples show that this nonlinear version of the TBA leads to the convergence of results with respect to enlarging the phonon space of the model.

  19. Phonon limited electronic transport in Pb

    DEFF Research Database (Denmark)

    Rittweger, Florian; Hinsche, Nicki Frank; Mertig, Ingrid

    2017-01-01

    We present a fully ab initio based scheme to compute electronic transport properties, i.e. the electrical conductivity σ and thermopower S, in the presence of electron-phonon interaction. We explicitly investigate the k-dependent structure of the Éliashberg spectral function, the coupling strength......, the linewidth and the relaxation time τ. We obtain a state-dependent τ and show its necessity to reproduce the increased thermopower for temperatures below the Debye temperature, without accounting for the phonon-drag effect. Despite the detailed investigations of various k- and q-dependencies, the presented...

  20. Microscopic model of a phononic refrigerator

    Science.gov (United States)

    Arrachea, Liliana; Mucciolo, Eduardo R.; Chamon, Claudio; Capaz, Rodrigo B.

    2012-09-01

    We analyze a simple microscopic model to pump heat from a cold to a hot reservoir in a nanomechanical system. The model consists of a one-dimensional chain of masses and springs coupled to a back gate through which a time-dependent perturbation is applied. The action of the gate creates a moving phononic barrier by locally pinning a mass. We solve the problem numerically using a nonequilibrium Green's function technique. For low driving frequencies and for sharp traveling barriers, we show that this microscopic model realizes a phonon refrigerator.

  1. Phonon emission in a degenerate semiconductor at low lattice temperatures

    International Nuclear Information System (INIS)

    Midday, S.; Nag, S.; Bhattacharya, D.P.

    2015-01-01

    The characteristics of phonon growth in a degenerate semiconductor at low lattice temperatures have been studied for inelastic interaction of non-equilibrium electrons with the intravalley acoustic phonons. The energy of the phonon and the full form of the phonon distribution are taken into account. The results reveal significant changes in the growth characteristics compared to the same for a non-degenerate material

  2. Selective Dispersive Solid Phase Extraction of Ser-traline Using Surface Molecularly Imprinted Polymer Grafted on SiO2/Graphene Oxide

    Directory of Open Access Journals (Sweden)

    Faezeh Khalilian

    2017-01-01

    Full Text Available A surface molecularly imprinted dispersive solid phase extraction coupled with liquid chromatography–ultraviolet detection is proposed as a selective and fast clean-up technique for the determination of sertraline in biological sample. Surface sertraline-molecular imprinted polymer was grafted and synthesized on the SiO2/graphene oxide surface. Firstly SiO2 was coated on synthesized graphene oxide sheet using sol-gel technique. Prior to polymerization, the vinyl group was incorporated on to the surface of SiO2/graphene oxide to direct selective polymerization on the surface. Methacrylic acid, ethylene glycol dimethacrylate and ethanol were used as monomer, cross-linker and progen, respectively. Non-imprinted polymer was also prepared for comparing purposes. The properties of the molecular imprinted polymer were characterized using field emission-scanning electron microscopy and Fourier transform infrared spectroscopy methods. The surface molecular imprinted polymer was utilized as an adsorbent of dispersive solid phase extraction for separation and preconcentration of sertraline. The effects of the different parameters influencing the extraction efficiency, such as sample pH were investigated and optimized. The specificity of the molecular imprinted polymer over the non-imprinted polymer was examined in absence and presence of competitive drugs. Sertraline calibration curve showed linearity in the ranges 1–500 µg L-1. The limits of detection and quantification under optimized conditions were obtained 0.2 and 0.5 µg L-1. The within-day and between-day relative standard deviations (n=3 were 4.3 and 7.1%, respectively. Furthermore, the relative recoveries for spiked biological samples were above 92%.

  3. Goldstone-like phonon modes in a (111)-strained perovskite

    Science.gov (United States)

    Marthinsen, A.; Griffin, S. M.; Moreau, M.; Grande, T.; Tybell, T.; Selbach, S. M.

    2018-01-01

    Goldstone modes are massless particles resulting from spontaneous symmetry breaking. Although such modes are found in elementary particle physics as well as in condensed-matter systems like superfluid helium, superconductors, and magnons, structural Goldstone modes are rare. Epitaxial strain in thin films can induce structures and properties not accessible in bulk and has been intensively studied for (001)-oriented perovskite oxides. Here we predict Goldstone-like phonon modes in (111)-strained SrMn O3 by first-principles calculations. Under compressive strain the coupling between two in-plane rotational instabilities gives rise to a Mexican hat-shaped energy surface characteristic of a Goldstone mode. Conversely, large tensile strain induces in-plane polar instabilities with no directional preference, giving rise to a continuous polar ground state. Such phonon modes with U (1) symmetry could emulate structural condensed-matter Higgs modes. The mass of this Higgs boson, given by the shape of the Mexican hat energy surface, can be tuned by strain through proper choice of substrate.

  4. A step closer to visualizing the electron___phonon interplay

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Y.L.; Lee, W.S.; Shen, Z.X.; /Stanford U., Appl. Phys. Dept. /Stanford U., Phys. Dept. /SLAC, PULSE

    2011-01-04

    , Carbone et al. found that the c-axis phonons in the optimally-doped Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} (Bi2212) are coupled to the electrons with different strength along different directions within the CuO{sub 2} plane. The coupling strength reaches its largest value along the 2 Cu-O bond directions and becomes the weakest along the bisector of the angle formed by the 2 Cu-O bonds. As pointed out by Carbone et al., these observations agree well with the calculated coupling strength between electrons and the buckling phonons. Furthermore, their observation of this anisotropic electron-phonon coupling also agrees with results from angle-resolved photoemission (ARPES), which measures the equilibrium-state properties of materials. In ARPES measurements, electron-phonon coupling manifests itself as a kink anomaly in the band dispersion and a corresponding sudden broadening in the spectral width.

  5. Electron-phonon heat exchange in quasi-two-dimensional nanolayers

    Science.gov (United States)

    Anghel, Dragos-Victor; Cojocaru, Sergiu

    2017-12-01

    We study the heat power P transferred between electrons and phonons in thin metallic films deposited on free-standing dielectric membranes. The temperature range is typically below 1 K, such that the wavelengths of the excited phonon modes in the system is large enough so that the picture of a quasi-two-dimensional phonon gas is applicable. Moreover, due to the quantization of the components of the electron wavevectors perpendicular to the metal film's surface, the electrons spectrum forms also quasi two-dimensional sub-bands, as in a quantum well (QW). We describe in detail the contribution to the electron-phonon energy exchange of different electron scattering channels, as well as of different types of phonon modes. We find that heat flux oscillates strongly with thickness of the film d while having a much smoother variation with temperature (Te for the electrons temperature and Tph for the phonons temperature), so that one obtains a ridge-like landscape in the two coordinates, (d, Te) or (d, Tph), with crests and valleys aligned roughly parallel to the temperature axis. For the valley regions we find P ∝ Te3.5 - Tph3.5. From valley to crest, P increases by more than one order of magnitude and on the crests P cannot be represented by a simple power law. The strong dependence of P on d is indicative of the formation of the QW state and can be useful in controlling the heat transfer between electrons and crystal lattice in nano-electronic devices. Nevertheless, due to the small value of the Fermi wavelength in metals, the surface imperfections of the metallic films can reduce the magnitude of the oscillations of P vs. d, so this effect might be easier to observe experimentally in doped semiconductors.

  6. Effect of bleaching agents having a neutral pH on the surface of mineral trioxide aggregate using electron microscopy and energy dispersive X-ray microanalysis

    Science.gov (United States)

    Kazia, Nooh; Suvarna, Nithin; Shetty, Harish Kumar; Kumar, Pradeep

    2016-01-01

    Aim: To investigate the effect of bleaching agents having a neutral pH on the surface of mineral trioxide aggregate (MTA) used as a coronal seal material for nonvital bleaching, beneath the bleaching agent, with the help of energy dispersive X-ray microanalysis and scanning electron microscopy (SEM). Materials and Methods: Six samples of plastic tubes filled with white MTA (Angelus white) were kept in 100% humidity for 21 days. Each sample was divided into 2 and made into 12 samples. These were then divided into three groups. Group A was exposed to Opalescence Boost 40% hydrogen peroxide (HP) (Ultradent). Group B to Opalescence 10% carbamide peroxide (Ultradent) and Group C (control group) not exposed to any bleaching agent. After recommended period of exposure to bleaching agents according to manufacturers’ instructions, the samples were observed under SEM with an energy dispersive X-ray microanalysis system (JSM-6380 LA). Results: There were no relevant changes in color and no statistically significant surface structure changes of the MTA in both the experimental groups. Conclusion: The present findings suggest that even high concentration HP containing bleaching agents with neutral pH can be used on the surface of MTA without causing structural changes. The superior sealing ability of MTA and the high alkalinity would prevent cervical resorption postbleaching. PMID:27656061

  7. Optical pumping of hot phonons in GaAs

    International Nuclear Information System (INIS)

    Collins, C.L.; Yu, P.Y.

    1982-01-01

    Optical pumping of hot LO phonons in GaAs has been studied as a function of the excitation photon frequency. The experimental results are in good agreement with a model calculation which includes both inter- and intra-valley electron-phonon scatterings. The GAMMA-L and GAMMA-X intervalley electron-phonon interactions in GaAs have been estimated

  8. Phonon frequency shift and effect of correlation on the electron ...

    Indian Academy of Sciences (India)

    Abstract. The electron–phonon interaction in the periodic Anderson model (PAM) is considered. The PAM incorporates the effect of onsite Coulomb interaction (U) between /-electrons. The in- fluence of Coulomb correlation U on the phonon response of the system is studied by evaluating the phonon spectral function for ...

  9. First-principles verification of CuNNi3 and ZnNNi3 as phonon mediated superconductors

    Science.gov (United States)

    Chen, Jian-Yong; Wang, Xing

    2015-08-01

    Very recently, a new Ni-based antiperovskite nitride superconductor CuNNi3 has been successfully synthesized. We investigate the electronic structures, phonon dispersions, and electron-phonon interactions of CuNNi3 and the isostructual ZnNNi3 by first-principles approach. By analyzing the Eliashberg function we obtain the superconducting transition temperature Tc 3.16 K (3.53 K), which is in good agreement with corresponding experimental Tc 3.2 K (3 K) for CuNNi3 (ZnNNi3). They can be verified as conventional phonon-mediated superconductors. Project supported by the Scientific Research Fund of Guilin University of Aerospace Technology, China (Grant No. YJ1410).

  10. Self-assembled monolayers of Lewis bases: effects on surface and interfacial electronic properties in III-V optical semiconductors

    Science.gov (United States)

    Dorsten, J. F.; Maslar, James E.; Zhang, Ying; Rauchfuss, T. B.; Bohn, Paul W.; Agarwala, S.; Adesida, Ilesanmi; Caneau, Catherine; Bhat, Rajaram J.

    1994-07-01

    The nature and disposition of surface states can have a dramatic effect on the near-surface electronic properties in semiconductor heterostructures. In particular the lack of a well-defined surface oxide in III-V materials means that surface band bending can cause surface recombination velocities to be up to 103 larger than in Si-based materials. Raman scattering by coupled longitudinal optic phonons and 2D electron gas electrons in In0.52Al0.48AsIn0.53Ga0.47As (delta) -doped heterostructures is used to demonstrate the extreme sensitivity to surface states. The two highest frequency modes, of the three coupled electron-phonon modes expected in this system, were observed, with the L+ mode being identified for the first time in InGaAs-based systems. The large dispersion of this mode makes it a particularly sensitive probe for changes in such properties as carrier concentration and subband energy. For structures with higher carrier concentrations coupling of the longitudinal optic phonon to multiple electron intersubband transitions is resolved. In order to passivate native surface states organic thiols are being investigated. Measurements on bulk GaAs indicate a change in the surface depletion region thickness, within the abrupt junction model, of up to 50 angstrom (ca. 30%). Changes in carrier scattering times up to 50% have also been observed.

  11. Hydrodynamic states of phonons in insulators

    Directory of Open Access Journals (Sweden)

    S.A. Sokolovsky

    2012-12-01

    Full Text Available The Chapman-Enskog method is generalized for accounting the effect of kinetic modes on hydrodynamic evolution. Hydrodynamic states of phonon system of insulators have been studied in a small drift velocity approximation. For simplicity, the investigation was carried out for crystals of the cubic class symmetry. It has been found that in phonon hydrodynamics, local equilibrium is violated even in the approximation linear in velocity. This is due to the absence of phonon momentum conservation law that leads to a drift velocity relaxation. Phonon hydrodynamic equations which take dissipative processes into account have been obtained. The results were compared with the standard theory based on the local equilibrium validity. Integral equations have been obtained for calculating the objects of the theory (including viscosity and heat conductivity. It has been shown that in low temperature limit, these equations are solvable by iterations. Steady states of the system have been considered and an expression for steady state heat conductivity has been obtained. It coincides with the famous result by Akhiezer in the leading low temperature approximation. It has been established that temperature distribution in the steady state of insulator satisfies a condition of heat source absence.

  12. Magnetic polarization and two-phonon states

    International Nuclear Information System (INIS)

    Tsoneva, N.; Stoyanov, Ch.; Grinberg, M.; Vdovin, A.

    1997-01-01

    Influence of magnetic core polarization on properties of 2 - member of two-phonon quintet of states 2 1 + x 3 1 - is analyzed. Like for recently identified lowest 1 - member of this quintet, an excitation probability of 2 - state is strongly affected by polarization of the nucleus

  13. Phonon density of states in nanocrystalline Fe

    Indian Academy of Sciences (India)

    Abstract. The Born–von Karman model is used to calculate phonon density of states (DOS) of nanocrystalline bcc Fe. It is found that there is an anisotropic stiffening in the interatomic force constants and hence there is shrinking in the nearest-neighbour distances in the nanophase. This leads to additional vibrational modes ...

  14. Phononic band gap structures as optimal designs

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard; Sigmund, Ole

    2003-01-01

    In this paper we use topology optimization to design phononic band gap structures. We consider 2D structures subjected to periodic loading and obtain the distribution of two materials with high contrast in material properties that gives the minimal vibrational response of the structure. Both in...

  15. Phonon affected transport through molecular quantum

    Czech Academy of Sciences Publication Activity Database

    Loos, Jan; Koch, T.; Alvermann, A.; Bishop, A. R.; Fehske, H.

    2009-01-01

    Roč. 21, č. 39 (2009), 395601/1-395601/18 ISSN 0953-8984 Institutional research plan: CEZ:AV0Z10100521 Keywords : quantum dots * electron - phonon interaction * polarons Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.964, year: 2009

  16. Phonon heat transport in gallium arsenide

    Indian Academy of Sciences (India)

    The energy linewidth is found to be an extremely sensitive quantity in the transport phenomena of crystalline solids as a collection of large number of scattering processes, namely, boundary scattering, impurity scattering, multiphonon scattering, interference scattering, electron–phonon processes and resonance scattering.

  17. Synthetic thermoelectric materials comprising phononic crystals

    Science.gov (United States)

    El-Kady, Ihab F; Olsson, Roy H; Hopkins, Patrick; Reinke, Charles; Kim, Bongsang

    2013-08-13

    Synthetic thermoelectric materials comprising phononic crystals can simultaneously have a large Seebeck coefficient, high electrical conductivity, and low thermal conductivity. Such synthetic thermoelectric materials can enable improved thermoelectric devices, such as thermoelectric generators and coolers, with improved performance. Such synthetic thermoelectric materials and devices can be fabricated using techniques that are compatible with standard microelectronics.

  18. Phonon scattering in graphene over substrate steps

    DEFF Research Database (Denmark)

    Sevincli, Haldun; Brandbyge, Mads

    2014-01-01

    We calculate the effect on phonon transport of substrate-induced bends in graphene. We consider bending induced by an abrupt kink in the substrate, and provide results for different step-heights and substrate interaction strengths. We find that individual substrate steps reduce thermal conductance...

  19. Non-reciprocal elastic wave propagation in 2D phononic membranes with spatiotemporally varying material properties

    Science.gov (United States)

    Attarzadeh, M. A.; Nouh, M.

    2018-05-01

    One-dimensional phononic materials with material fields traveling simultaneously in space and time have been shown to break elastodynamic reciprocity resulting in unique wave propagation features. In the present work, a comprehensive mathematical analysis is presented to characterize and fully predict the non-reciprocal wave dispersion in two-dimensional space. The analytical dispersion relations, in the presence of the spatiotemporal material variations, are validated numerically using finite 2D membranes with a prescribed number of cells. Using omnidirectional excitations at the membrane's center, wave propagations are shown to exhibit directional asymmetry that increases drastically in the direction of the material travel and vanishes in the direction perpendicular to it. The topological nature of the predicted dispersion in different propagation directions are evaluated using the computed Chern numbers. Finally, the degree of the 2D non-reciprocity is quantified using a non-reciprocity index (NRI) which confirms the theoretical dispersion predictions as well as the finite simulations. The presented framework can be extended to plate-type structures as well as 3D spatiotemporally modulated phononic crystals.

  20. Systematic Studies on Anharmonicity of Rattling Phonons in Type I Clathrates by Low Temperature Heat Capacity Measurements

    Science.gov (United States)

    Tanigaki, Katsumi; Wu, Jiazhen; Tanabe, Yoichi; Heguri, Satoshi; Shiimotani, Hidekazu; Tohoku University Collaboration

    2014-03-01

    Clathrates are featured by cage-like polyhedral hosts mainly composed of the IVth group elements of Si, Ge, or Sn and alkali metal or alkaline-earth metal elements can be accommodated inside as a guest atom. One of the most intriguing issues in clathrates is their outstanding high thermoelectric performances thanks to the low thermal conductivity. Being irrespective of good electric conductivity σ, the guest atom motions provide a low-energy lying less-dispersive phonons and can greatly suppress thermal conductivity κ. This makes clathrates close to the concept of ``phonon glass electron crystal: PGEC'' and useful in thermoelectric materials from the viewpoint of the figure of merit. In the present study, we show that the local phonon anharmonicity indicated by the tunneling-term of the endohedral atoms (αT) and the itinerant-electron term (γeT), both of which show T-linear dependences in specific heat Cp, can successfully be separated by employing single crystals with various carrier concentrations in a wide range of temperture experimennts. The factors affecting on the phonon anharmonicity as well as the strength of electron-phonon interactions will be discussed based on our recent experiments. The research was financially supported by Ministry of Education, Science, Sports and Culture, Grant in Aid for Science, and Technology of Japan.

  1. Reducing support loss in micromechanical ring resonators using phononic band-gap structures

    Energy Technology Data Exchange (ETDEWEB)

    Hsu, Feng-Chia; Huang, Tsun-Che; Wang, Chin-Hung; Chang, Pin [Industrial Technology Research Institute-South, Tainan 709, Taiwan (China); Hsu, Jin-Chen, E-mail: fengchiahsu@itri.org.t, E-mail: hsujc@yuntech.edu.t [Department of Mechanical Engineering, National Yunlin University of Science and Technology, Douliou, Yunlin 64002, Taiwan (China)

    2011-09-21

    In micromechanical resonators, energy loss via supports into the substrates may lead to a low quality factor. To eliminate the support loss, in this paper a phononic band-gap structure is employed. We demonstrate a design of phononic-crystal (PC) strips used to support extensional wine-glass mode ring resonators to increase the quality factor. The PC strips are introduced to stop elastic-wave propagation by the band-gap and deaf-band effects. Analyses of resonant characteristics of the ring resonators and the dispersion relations, eigenmodes, and transmission properties of the PC strips are presented. With the proposed resonator architecture, the finite-element simulations show that the leaky power is effectively reduced and the stored energy inside the resonators is enhanced simultaneously as the operating frequencies of the resonators are within the band gap or deaf bands. Realization of a high quality factor micromechanical ring resonator with minimized support loss is expected.

  2. Logistic characteristics of phonon transport in silicon thin film: the S-curve

    International Nuclear Information System (INIS)

    Yilbas, B.S.; Mansoor, S. Bin

    2013-01-01

    The logistic characteristics of the averaged heat flux are investigated across the thin film incorporating the S-curve. Temporal behaviour of the heat flux vector is computed using the Boltzmann transport equation. The dispersion relations are introduced to account for the frequency dependent phonon transport across the film. The influence of film width on the characteristics of the averaged heat flux is also examined. It is found that temporal behaviour of the averaged heat flux follows the S-curve. The S-curve characteristics change for different film widths. The time to reach 95% steady value of the averaged heat flux is short for the film with small widths, which is attributed to the ballistic behaviour of phonons in the film

  3. Surface and interface electronic structure: Three year activity report

    International Nuclear Information System (INIS)

    Kevan, S.D.

    1992-01-01

    The 3-year activity report covers surface structure and phonon anomalies (surface reconstruction on W(001) and Mo(001), adsorbate lateral ordering, surface Fermi contours and phonon anomalies on Pt(111) and Pd(001)), adsorbate vibrational damping, charge transfer in momentum space: W(011)-K, surface states and resonances (relativistic effects ampersand computations, surface resonances)

  4. Facile preparation of water dispersible polypyrrole nanotube-supported silver nanoparticles for hydrogen peroxide reduction and surface-enhanced Raman scattering

    International Nuclear Information System (INIS)

    Peng Yingjing; Qiu Lihua; Pan Congtao; Wang Cancan; Shang Songmin; Yan Feng

    2012-01-01

    Water dispersible polypyrrole nanotube/silver nanoparticle hybrids (PPyNT-COOAgNP) were synthesized via a cation-exchange method. The approach involves the surface functionalization of PPyNTs with carboxylic acid groups (-COOH), and cation-exchange with silver ions (Ag + ) and followed by the reduction of metal ions. The morphology and optical properties of the produced PPyNT-COOAgNP nanohybrids were characterized by transmission electron microscopy (TEM), Fourier transform infrared (FT-IR) spectrometer, and UV–vis spectroscopy. The as-prepared PPyNT-COOAgNP nanohybrids exhibited well-defined response to the reduction of hydrogen peroxide, and as extremely suitable substrates for surface-enhanced Raman spectroscopy (SERS) with a high enhancement factor of 6.0 × 10 7 , and enabling the detection of 10 −12 M Rhodamine 6G solution.

  5. Strong Carrier–Phonon Coupling in Lead Halide Perovskite Nanocrystals

    Science.gov (United States)

    2017-01-01

    We highlight the importance of carrier–phonon coupling in inorganic lead halide perovskite nanocrystals. The low-temperature photoluminescence (PL) spectrum of CsPbBr3 has been investigated under a nonresonant and a nonstandard, quasi-resonant excitation scheme, and phonon replicas of the main PL band have been identified as due to the Fröhlich interaction. The energy of longitudinal optical (LO) phonons has been determined from the separation of the zero phonon band and phonon replicas. We reason that the observed LO phonon coupling can only be related to an orthorhombically distorted crystal structure of the perovskite nanocrystals. Additionally, the strength of carrier–phonon coupling has been characterized using the ratio between the intensities of the first phonon replica and the zero-phonon band. PL emission from localized versus delocalized carriers has been identified as the source of the observed discrepancies between the LO phonon energy and phonon coupling strength under quasi-resonant and nonresonant excitation conditions, respectively. PMID:29019652

  6. Phonon mechanism in the most dilute superconductor n-type SrTiO3.

    Science.gov (United States)

    Gor'kov, Lev P

    2016-04-26

    Superconductivity of n-doped SrTiO3, which remained enigmatic for half a century, is treated as a particular case of nonadiabatic phonon pairing. Motivated by experiment, we suggest the existence of the mobility edge at some dopant concentration. The itinerant part of the spectrum consists of three conduction bands filling by electrons successively. Each subband contributes to the superconducting instability and exhibits a gap in its energy spectrum at low temperatures. We argue that superconductivity of n-doped SrTiO3 results from the interaction of electrons with several longitudinal (LO) optical phonons with frequencies much larger than the Fermi energy. Immobile charges under the mobility edge threshold increase the "optical" dielectric constant far above that in clean SrTiO3 placing control on the electron-LO phonon interaction. TC initially grows as density of states at the Fermi surface increases with doping, but the accumulating charges reduce the electrons-polar-phonon interaction by screening the longitudinal electric fields. The theory predicts maxima in the TC-concentration dependence indeed observed experimentally. Having reached a maximum in the third band, the transition temperature finally decreases, rounding out the TC (n) dome, the three maxima with accompanying superconducting gaps emerging consecutively as electrons fill successive bands. This arises from attributes of the LO optical phonon pairing of electrons. The mechanism of LO phonons opens the path to increasing superconducting transition temperature in bulk transition-metal oxides and other polar crystals, and in charged 2D layers at the LaAaO3/SrTiO3 interfaces and on the SrTiO3 substrates.

  7. Effects of a piezoelectric substrate on phonon-drag thermopower in monolayer graphene

    Science.gov (United States)

    Bhargavi, K. S.; Kubakaddi, S. S.; Ford, C. J. B.

    2017-06-01

    The phonon-drag thermopower is studied in a monolayer graphene on a piezoelectric substrate. The phonon-drag contribution S\\text{PA}\\text{g} from the extrinsic potential of piezoelectric surface acoustic (PA) phonons of a piezoelectric substrate (GaAs) is calculated as a function of temperature T and electron concentration n s. At a very low temperature, S\\text{PA}\\text{g} is found to be much greater than S\\text{DA}\\text{g} of the intrinsic deformation potential of acoustic (DA) phonons of the graphene. There is a crossover of S\\text{PA}\\text{g} and S\\text{DA}\\text{g} at around ~5 K. In graphene samples of about  >10 µm size, we predict S g ~ 20 µV at 10 K, which is much greater than the diffusion component of the thermopower and can be experimentally observed. In the Bloch-Gruneisen (BG) regime T and n s dependence are, respectively, given by the power laws S\\text{PA}\\text{g} (S\\text{DA}\\text{g} ) ~ T 2(T 3) and S\\text{PA}\\text{g} , S\\text{DA}\\text{g} ~ n\\text{s}-1/2 . The T(n s) dependence is the manifestation of the 2D phonons (Dirac phase of the electrons). The effect of the screening is discussed. Analogous to Herring’s law (S g μ p ~ T -1), we predict a new relation S g μ p ~ n\\text{s}0 , where μ p is the phonon-limited mobility. We suggest that the n s dependent measurements will play a more significant role in identifying the Dirac phase and the effect of screening.

  8. Influence of synthesis methods on tungsten dispersion, structural deformation, and surface acidity in binary WO3-ZrO2 system.

    Science.gov (United States)

    Cortés-Jácome, M A; Toledo, J A; Angeles-Chavez, C; Aguilar, M; Wang, J A

    2005-12-08

    WO3-ZrO2 catalysts were synthesized by precipitating the aqueous solutions of zirconium oxynitrate and ammonium metatungstate with ammonium hydroxide. The white slurry precipitate was treated under three different conditions. In the as-made materials, the amorphous phase was formed in the aged and refluxed samples, while well-crystallized tetragonal and monoclinic phases were obtained in the hydrothermally treated sample. The real amount of tungsten loaded in the samples was similar for the three samples, independently of the treatments; however, the tungsten surface atomic density in the annealed WO3-ZrO2 samples varied between 6 and 9 W atoms/nm2. Two different contrast types of aggregates were determined by scanning electron microscopy, the white particles which are rich in W, and the gray ones which are rich in zirconium; both of them were formed in the calcined solids prepared under aging or reflux condition. A very high dispersion of tungsten species on the zirconia surface was achieved in the hydrothermally treated sample. The degree of the interaction between WO(x) and ZrO2 surface strongly modified the Zr-O bond lengths and bond angles in the structure of tetragonal zirconia as proved by X-ray diffraction analysis and the Rietveld refinement. The catalyst obtained under hydrothermal condition exhibited the highest dispersion of tungsten species in the zirconia, which in turn causes strong structural deformation of the tetragonal ZrO2 phase responsible of the strongest surface acidity and, consequently, the optimum catalytic activity for n-hexane isomerization.

  9. Microstructural Characterization and Wear Behavior of Nano-Boride Dispersed Coating on AISI 304 Stainless Steel by Hybrid High Velocity Oxy-Fuel Spraying Laser Surface Melting

    Science.gov (United States)

    Sharma, Prashant; Majumdar, Jyotsna Dutta

    2015-07-01

    The current study concerns the detailed microstructural characterization and investigation of wear behavior of nano-boride dispersed coating developed on AISI 304 stainless steel by high velocity oxy-fuel spray deposition of nickel-based alloy and subsequent laser melting. There is a significant refinement and homogenization of microstructure with improvement in microhardness due to laser surface melting (1200 VHN as compared to 945 VHN of as-sprayed and 250 VHN of as-received substrate). The high temperature phase stability of the as-coated and laser melted surface has been studied by differential scanning calorimeter followed by detailed phase analysis at room and elevated temperature. There is a significant improvement in wear resistance of laser melted surface as compared to as-sprayed and the as-received one due to increased hardness and reduced coefficient of friction. The mechanism of wear has been investigated in details. Corrosion resistance of the coating in a 3.56 wt pct NaCl solution is significantly improved (4.43 E-2 mm/year as compared to 5 E-1 mm/year of as-sprayed and 1.66 mm/year of as-received substrate) due to laser surface melting as compared to as-sprayed surface.

  10. A simple model for the surface energy of ionic crystals

    International Nuclear Information System (INIS)

    Roman, E.; Tosi, M.P.

    1982-01-01

    The surface energy of ionic materials is empirically related to bulk properties (elastic constants, electronic dielectric constant and optical band gap) through an analysis of the cleavage force. This is evaluated at small and large separations of the two crystal halves from phonon dispersion curves and from van der Waals interactions, respectively, and these two limiting behaviours are connected by a scaling hypothesis introduced for metals by Kohn and Yaniv. The experimental data that are available for a few ionic crystals seem to satisfy the suggested relation, with an empirical universal parameter which has roughly the same value as determined for metals. (author)

  11. Activation and dissociation of CO2 on the (001), (011), and (111) surfaces of mackinawite (FeS): A dispersion-corrected DFT study.

    Science.gov (United States)

    Dzade, N Y; Roldan, A; de Leeuw, N H

    2015-09-07

    Iron sulfide minerals, including mackinawite (FeS), are relevant in origin of life theories, due to their potential catalytic activity towards the reduction and conversion of carbon dioxide (CO2) to organic molecules, which may be applicable to the production of liquid fuels and commodity chemicals. However, the fundamental understanding of CO2 adsorption, activation, and dissociation on FeS surfaces remains incomplete. Here, we have used density functional theory calculations, corrected for long-range dispersion interactions (DFT-D2), to explore various adsorption sites and configurations for CO2 on the low-index mackinawite (001), (110), and (111) surfaces. We found that the CO2 molecule physisorbs weakly on the energetically most stable (001) surface but adsorbs relatively strongly on the (011) and (111) FeS surfaces, preferentially at Fe sites. The adsorption of the CO2 on the (011) and (111) surfaces is shown to be characterized by significant charge transfer from surface Fe species to the CO2 molecule, which causes a large structural transformation in the molecule (i.e., forming a negatively charged bent CO2 (-δ) species, with weaker C-O confirmed via vibrational frequency analyses). We have also analyzed the pathways for CO2 reduction to CO and O on the mackinawite (011) and (111) surfaces. CO2 dissociation is calculated to be slightly endothermic relative to the associatively adsorbed states, with relatively large activation energy barriers of 1.25 eV and 0.72 eV on the (011) and (111) surfaces, respectively.

  12. Phonon Scattering and Confinement in Crystalline Films

    Science.gov (United States)

    Parrish, Kevin D.

    The operating temperature of energy conversion and electronic devices affects their efficiency and efficacy. In many devices, however, the reference values of the thermal properties of the materials used are no longer applicable due to processing techniques performed. This leads to challenges in thermal management and thermal engineering that demand accurate predictive tools and high fidelity measurements. The thermal conductivity of strained, nanostructured, and ultra-thin dielectrics are predicted computationally using solutions to the Boltzmann transport equation. Experimental measurements of thermal diffusivity are performed using transient grating spectroscopy. The thermal conductivities of argon, modeled using the Lennard-Jones potential, and silicon, modeled using density functional theory, are predicted under compressive and tensile strain from lattice dynamics calculations. The thermal conductivity of silicon is found to be invariant with compression, a result that is in disagreement with previous computational efforts. This difference is attributed to the more accurate force constants calculated from density functional theory. The invariance is found to be a result of competing effects of increased phonon group velocities and decreased phonon lifetimes, demonstrating how the anharmonic contribution of the atomic potential can scale differently than the harmonic contribution. Using three Monte Carlo techniques, the phonon-boundary scattering and the subsequent thermal conductivity reduction are predicted for nanoporous silicon thin films. The Monte Carlo techniques used are free path sampling, isotropic ray-tracing, and a new technique, modal ray-tracing. The thermal conductivity predictions from all three techniques are observed to be comparable to previous experimental measurements on nanoporous silicon films. The phonon mean free paths predicted from isotropic ray-tracing, however, are unphysical as compared to those predicted by free path sampling

  13. A general model for analysis of acoustic phonons in piezoelectric super-lattices. Application to the (111)-AlAs/GaAs super-lattice.

    Science.gov (United States)

    Zhang, Victor; Djafari-Rouhani, Bahram

    2007-05-08

    A general model is established for the analysis of acoustic phonons in an arbitrarily oriented piezoelectric super-lattice (SL). Analytical expressions are derived allowing the dispersion relation, transmission (T) and reflection (R) properties of the phonons to be numerically calculated for any incidence angle. Numerical investigation is exemplified for the (111) GaAs/AlAs SL with incidence in the [Formula: see text] plane. The obtained band structures confirm that the stop bands for both the shear horizontal and the coupled longitudinal and shear phonons appear inside the folded Brillouin zone, contrary to the (100) SL case in which they appear at the zone centre and edges. Both classical dispersion curves and Floquet slowness diagrams are used to present the edges of the Brillouin zones. Locations and widths of the stop bands inside the folded zones, as well as the T and R rates taking into account mode conversion, are studied as a function of frequency and incidence angle.

  14. Specific features of slow neutron coherent scattering by crystals with substitution impurities and selection rules for the mass operator of phonons

    International Nuclear Information System (INIS)

    Dzyub, I.P.; Kochmarskij, V.Z.

    1978-01-01

    The specific features of coherent slow-neutron scattering in the neighbourhood of the quasilocal oscillation (QLO) frequency are investigated. By means of the calculation for a simple cubic crystal containing substitutional impurities it is demonstrated that the dispersion curves are discontinuous in the QLO frequency range. This dispersion curve discontinuity is associated with one-phonon peak in the neighbourhood of the QLO frequency. The results of neutron scattering experiments on Crsub(1-x)Wsub(x) and Cusub(1-x)Ausub(x) solutions are then considered from this standpoint. Selection rules for the phonon mass operator are established which allow to determine the symmetry of QLO which contribute to the broadening and shift of one-phonon peaks in the directions of high symmetry, depending on the transfer neutron-momentum orientation with respect to the principal axes of a crystal

  15. First-principles study of Dirac and Dirac-like cones in phononic and photonic crystals

    KAUST Repository

    Mei, Jun

    2012-07-24

    By using the k•p method, we propose a first-principles theory to study the linear dispersions in phononic and photonic crystals. The theory reveals that only those linear dispersions created by doubly degenerate states can be described by a reduced Hamiltonian that can be mapped into the Dirac Hamiltonian and possess a Berry phase of -π. Linear dispersions created by triply degenerate states cannot be mapped into the Dirac Hamiltonian and carry no Berry phase, and, therefore should be called Dirac-like cones. Our theory is capable of predicting accurately the linear slopes of Dirac and Dirac-like cones at various symmetry points in a Brillouin zone, independent of frequency and lattice structure. © 2012 American Physical Society.

  16. Understanding photon sideband statistics and correlation for determining phonon coherence

    Science.gov (United States)

    Ding, Ding; Yin, Xiaobo; Li, Baowen

    2018-01-01

    Generating and detecting coherent high-frequency heat-carrying phonons have been topics of great interest in recent years. Although there have been successful attempts in generating and observing coherent phonons, rigorous techniques to characterize and detect phonon coherence in a crystalline material have been lagging compared to what has been achieved for photons. One main challenge is a lack of detailed understanding of how detection signals for phonons can be related to coherence. The quantum theory of photoelectric detection has greatly advanced the ability to characterize photon coherence in the past century, and a similar theory for phonon detection is necessary. Here, we reexamine the optical sideband fluorescence technique that has been used to detect high-frequency phonons in materials with optically active defects. We propose a quantum theory of phonon detection using the sideband technique and found that there are distinct differences in sideband counting statistics between thermal and coherent phonons. We further propose a second-order correlation function unique to sideband signals that allows for a rigorous distinction between thermal and coherent phonons. Our theory is relevant to a correlation measurement with nontrivial response functions at the quantum level and can potentially bridge the gap of experimentally determining phonon coherence to be on par with that of photons.

  17. Hydrodynamic dispersion

    International Nuclear Information System (INIS)

    Pryce, M.H.L.

    1985-01-01

    A dominant mechanism contributing to hydrodynamic dispersion in fluid flow through rocks is variation of travel speeds within the channels carrying the fluid, whether these be interstices between grains, in granular rocks, or cracks in fractured crystalline rocks. The complex interconnections of the channels ensure a mixing of those parts of the fluid which travel more slowly and those which travel faster. On a macroscopic scale this can be treated statistically in terms of the distribution of times taken by a particle of fluid to move from one surface of constant hydraulic potential to another, lower, potential. The distributions in the individual channels are such that very long travel times make a very important contribution. Indeed, while the mean travel time is related to distance by a well-defined transport speed, the mean square is effectively infinite. This results in an asymmetrical plume which differs markedly from a gaussian shape. The distribution of microscopic travel times is related to the distribution of apertures in the interstices, or in the microcracks, which in turn are affected in a complex way by the stresses acting on the rock matrix

  18. Beryllium phonon spectrum from cold neutron measurements

    International Nuclear Information System (INIS)

    Bulat, I.A.

    1979-01-01

    The inelastic coherent scattering of neutrons with the initial energy E 0 =4.65 MeV on the spectrometer according to the time of flight is studied in polycrystalline beryllium. The measurements are made for the scattering angles THETA=15, 30, 45, 60, 75 and 90 deg at 293 K. The phonon spectrum of beryllium, i-e. g(w) is reestablished from the experimental data. The data obtained are compared with the data of model calculations. It is pointed out that the phonon spectrum of beryllium has a bit excessive state density in the energy range from 10 to 30 MeV. It is caused by the insufficient statistical accuracy of the experiment at low energy transfer

  19. Multiple topological phases in phononic crystals

    KAUST Repository

    Chen, Zeguo

    2017-11-20

    We report a new topological phononic crystal in a ring-waveguide acoustic system. In the previous reports on topological phononic crystals, there are two types of topological phases: quantum Hall phase and quantum spin Hall phase. A key point in achieving quantum Hall insulator is to break the time-reversal (TR) symmetry, and for quantum spin Hall insulator, the construction of pseudo-spin is necessary. We build such pseudo-spin states under particular crystalline symmetry (C-6v) and then break the degeneracy of the pseudo-spin states by introducing airflow to the ring. We study the topology evolution by changing both the geometric parameters of the unit cell and the strength of the applied airflow. We find that the system exhibits three phases: quantum spin Hall phase, conventional insulator phase and a new quantum anomalous Hall phase.

  20. Electron and Phonon Transport in Molecular Junctions

    DEFF Research Database (Denmark)

    Li, Qian

    transmission at the Fermi energy. We propose and analyze a way of using π   stacking to design molecular junctions to control heat transport. We develop a simple model system to identify optimal parameter regimes and then use density functional theory (DFT) to extract model parameters for a number of specific......Molecular electronics provide the possibility to investigate electron and phonon transport at the smallest imaginable scale, where quantum effects can be investigated and exploited directly in the design. In this thesis, we study both electron transport and phonon transport in molecular junctions....... The system we are interested in here are π-stacked molecules connected with two semi-infinite leads. π-stacked aromatic rings, connected via π-π electronic coupling, provides a rather soft mechanical bridge while maintaining high electronic conductivity. We investigate electron transport...

  1. On the theory of three types of polaritons (phonon, exciton and plasmon polaritons)

    International Nuclear Information System (INIS)

    Ha, Duong Thi; Thuy, Dinh Thi; Hoa, Vo Thi; Van, Tran Thi Thanh; Viet, Nguyen Ai

    2017-01-01

    We have investigated the similarities and difference between three well-known types of polaritons: phonon polariton, exciton polariton and surface plasmon polariton. For first two types (phonon polariton and exciton polariton) the interaction between photon and media can be expressed via a longitudinal-transversal splitting (LT-splitting), while for third type of polariton (surface plasmon polariton) via the boundary condition. Considering an analogy of these three types of polaritons, an effective LT-splitting was introduced for surface plasmon polariton. We discuss a possible existence of an evanescent state in the band gap of polaritons. Finally, the Nambu broken symmetry theory and Anderson-Higgs mechanism are discussed for lower branch of these polaritons. (paper)

  2. The unusual properties of beryllium surfaces

    International Nuclear Information System (INIS)

    Stumpf, R.; Hannon, J.B.

    1994-01-01

    Be is a ''marginal metal.'' The stable phase, hcp-Be, has a low Fermi-level density of states and very anisotropic structural and elastic properties, similar to a semiconductor's. At the Be(0001) surface, surface states drastically increase the Fermi-level density of states. The different nature of bonding in bulk-Be and at the Be(0001) surface explains the large outward relaxation. The presence of surface states causes large surface core-level shifts by inducing a higher electrostatic potential in the surface layers and by improving the screening at the surface. The authors experimental and theoretical investigations of atomic vibrations at the Be(0001) surface demonstrate clearly that Be screening of atomic motion by the surface states makes the surface phonon dispersion fundamentally different from that of the bulk. Properties of Be(0001) are so different from those of the bulk that the surface can be considered a new ''phase'' of beryllium with unique electronic and structural characteristics. For comparison they also study Be(11 bar 20), a very open surface without important surface states. Be(11 bar 20) is the only clean s-p metal surface known to reconstruct (1 x 3 missing row reconstruction)

  3. Quantum mode phonon forces between chainmolecules

    DEFF Research Database (Denmark)

    Bohr, Jakob

    2001-01-01

    A phenomenological description of the contributions of phonons to molecular force is developed. It uses an approximation to consider macromolecules as solid continua. The molecular modes of a molecule can then be characterized by a Debye-like description of the partition function. The resulting b....... For the later case, a significant change in zero-point energy is found. This may be the underlying cause for cold denaturation of proteins. (C) 2001 John Wiley & Sons, Inc....

  4. Well-dispersed CoS nanoparticles on a functionalized graphene nanosheet surface: a counter electrode of dye-sensitized solar cells.

    Science.gov (United States)

    Miao, Xiaohuan; Pan, Kai; Wang, Guofeng; Liao, Yongping; Wang, Lei; Zhou, Wei; Jiang, Baojiang; Pan, Qingjiang; Tian, Guohui

    2014-01-07

    With a facile electrophoretic deposition and chemical bath process, CoS nanoparticles have been uniformly dispersed on the surface of the functionalized graphene nanosheets (FGNS). The composite was employed as a counter electrode of dye-sensitized solar cells (DSSCs), which yielded a power conversion efficiency of 5.54 %. It is found that this efficiency is higher than those of DSSCs based on the non-uniform CoS nanoparticles on FGNS (4.45 %) and built on the naked CoS nanoparticles (4.79 %). The achieved efficiency of our cost-effective DSSC is also comparable to that of noble metal Pt-based DSSC (5.90 %). Our studies have revealed that both the exceptional electrical conductivity of the FGNS and the excellent catalytic activity of the CoS nanoparticles improve the conversion efficiency of the uniformly FGNS-CoS composite counter electrode. The electrochemical impedance spectra, cyclic voltammetry, and Tafel polarization have evidenced the best catalytic activity and the fastest electron transport. Additionally, the dispersion condition of CoS nanoparticles on FGNS plays an important role for catalytic reduction of I3 (-) . Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Phonon interference control of atomic-scale metamirrors, meta-absorbers, and heat transfer through crystal interfaces

    Science.gov (United States)

    Kosevich, Yu. A.; Potyomina, L. G.; Darinskii, A. N.; Strelnikov, I. A.

    2018-03-01

    crystal plane almost completely filled with heavy-isotope defects. We show that the phonon-interference-induced transparency can be produced by the defect nanolayer with the non-nearest-neighbor interactions, filled with two types of isotopes with relatively small difference in masses or binding force constants. In this case, relatively broad transmission antiresonance is accompanied by the narrow transmission peak close to the antiresonance frequency. We describe the softening of the flexural surface acoustic wave, localized at the embedded defect nanolayer, caused by negative surface stress in the layer. The surface wave softening results in spatially periodic static bending deformation of the embedded nanolayer with the definite wave number. The latter effect is estimated for graphene monolayer embedded in a strained matrix of polyethylene. We analyze the effect of nonlinearity in the dynamics of defect atoms on the one- and two-path phonon interference and show that the interference transmission resonances and antiresonances are shifted in frequencies but not completely suppressed by rather strong anharmonicity of interatomic bonds. The reduction of the Kapitza thermal interface conductance caused by the destructive phonon interference in a defect monolayer is described. We show that the additional relatively weak non-nearest-neighbor interactions through the defect crystal plane filled with heavy isotopes substantially reduces the interface thermal conductance, and this effect is stronger in the three-dimensional system than in the quasi-one-dimensional systems studied previously.

  6. The effect of holes in the dispersion relation of propagative surface plasmon modes of nanoperforated semitransparent metallic films

    Energy Technology Data Exchange (ETDEWEB)

    Kekesi, R., E-mail: renata.kekesi@csic.es; Meneses-Rodríguez, D.; García-Pérez, F.; González, M. U.; García-Martín, A.; Cebollada, A.; Armelles, G., E-mail: gaspar@imm.cnm.csic.es [IMM-Instituto de Microelectrónica de Madrid (CNM-CSIC), Isaac Newton 8, PTM, E-28760 Tres Cantos, Madrid (Spain)

    2014-10-07

    We have analysed the effect that holes have on the properties of propagative surface plasmon modes in semitransparent nanoperforated Au films. The modes have been excited in Kretschmann configuration. Contrary to continuous films, where only one mode is excited, two modes are observed in Au nanohole array. The origin of this different behavior is discussed using effective optical properties for the nanoperforated films. The presence of the holes affects the effective optical constants of the membranes in two ways: it changes the contribution of the free electrons, and it gives rise to a localized transition due to a hole induced plasmon resonance. This localized transition interacts with the propagative surface plasmon modes, originating the two detected modes.

  7. Hydrodynamic disperser

    Energy Technology Data Exchange (ETDEWEB)

    Bulatov, A.I.; Chernov, V.S.; Prokopov, L.I.; Proselkov, Yu.M.; Tikhonov, Yu.P.

    1980-01-15

    A hydrodynamic disperser is suggested which contains a housing, slit nozzles installed on a circular base arranged opposite from each other, resonators secured opposite the nozzle and outlet sleeve. In order to improve the effectiveness of dispersion by throttling the flow, each resonator is made in the form of a crimped plate with crimpings that decrease in height in a direction towards the nozzle.

  8. Tunable wideband-directive thermal emission from SiC surface using bundled graphene sheets

    Science.gov (United States)

    Inampudi, Sandeep; Mosallaei, Hossein

    2017-09-01

    Coherent thermal radiation emitters based on diffraction gratings inscribed on surface of a polar material, such as silicon carbide, always possess high angular dispersion resulting in wideband-dispersive or monochromatic-directive emission. In this paper, we identify roots of the high angular dispersion as the rapid surface phonon polariton (SPhP) resonance of the material surface and the misalignment of the dispersion curve of the diffraction orders of the grating with respect to light line. We minimize the rapid variation of SPhP resonance by compensating the material dispersion using bundled graphene sheets and mitigate the misalignment by a proper choice of the grating design. Utilizing a modified form of rigorous coupled wave analysis to simultaneously incorporate atomic-scale graphene sheets and bulk diffraction gratings, we accurately compute the emissivity profiles of the composite structure and demonstrate reduction in the angular dispersion of thermal emission from as high as 30∘ to as low as 4∘ in the SPhP dominant wavelength range of 11-12 μ m . In addition, we demonstrate that the graphene sheets via their tunable optical properties allow a fringe benefit of dynamical variation of the angular dispersion to a wide range.

  9. Ab initio phonon thermal transport in monolayer InSe, GaSe, GaS, and alloys

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, Tribhuwan; Parker, David S.; Lindsay, Lucas

    2017-10-17

    We compare vibrational properties and phonon thermal conductivities (κ) of monolayer InSe, GaSe and GaS systems using density functional theory and Peierls-Boltzmann transport methods. In going from InSe to GaSe to GaS, system mass decreases giving both increasing acoustic phonon velocities and decreasing scattering of these heat-carrying modes with optic phonons, ultimately giving κInSe< κGaSe< κGaS. This behavior is demonstrated by correlating the scattering phase space limited by fundamental conservation conditions with mode scattering rates and phonon dispersions for each material. We also show that, unlike flat monolayer systems such as graphene, thermal transport is governed by in-plane vibrations in InSe, GaSe and GaS, similar to buckled monolayer materials such as silicene. Alloying of InSe, GaSe and GaS systems provides an effective method for modulating their κ through intrinsic vibrational modifications and phonon scattering from mass disorder giving reductions ~2-3.5 times. This disorder also suppresses phonon mean free paths in the alloy systems compared to those in their crystalline counterparts. This work provides fundamental insights of lattice thermal transport from basic vibrational properties for an interesting set of two-dimensional materials.

  10. Thermal design studies in superconducting rf cavities: Phonon peak and Kapitza conductance

    Directory of Open Access Journals (Sweden)

    A. Aizaz

    2010-09-01

    Full Text Available Thermal design studies of superconducting radio frequency (SRF cavities involve two thermal parameters, namely the temperature dependent thermal conductivity of Nb at low temperatures and the heat transfer coefficient at the Nb-He II interface, commonly known as the Kapitza conductance. During the fabrication process of the SRF cavities, Nb sheet is plastically deformed through a deep drawing process to obtain the desired shape. The effect of plastic deformation on low temperature thermal conductivity as well as Kapitza conductance has been studied experimentally. Strain induced during the plastic deformation process reduces the thermal conductivity in its phonon transmission regime (disappearance of phonon peak by 80%, which may explain the performance limitations of the defect-free SRF cavities during their high field operations. Low temperature annealing of the deformed Nb sample could not recover the phonon peak. However, moderate temperature annealing during the titanification process recovered the phonon peak in the thermal conductivity curve. Kapitza conductance measurements for the Nb-He II interface for various surface topologies have also been carried out before and after the annealing. These measurements reveal consistently increased Kapitza conductance after the annealing process was carried out in the two temperature regimes.

  11. Electronic and phononic origins of martensitic behavior in nickel titanium-based binary and ternary shape memory alloys

    Science.gov (United States)

    Hatcher, Nicholas B.

    transformation paths by examining changes in the Fermi surface topology, band structures, generalized susceptibilities, and calculated phonon dispersions. Electronic topological transitions are observed in calculated densities of states using the rigid band method to determine the effects of stoichiometry changes. Finally, by carefully evaluating the Fermi surface as the martensitic transformation progresses, imaginary phonon modes and nesting in the Fermi surfaces are traced to atomic instabilities which drive the martensitic transformation.

  12. Ultrafast optical studies of phonon polaritons, squeezed modes and high frequency diamagnetism in metamaterials

    Science.gov (United States)

    Bianchini, Andrea

    The coupling of the electromagnetic field with polar lattice vibrations of a solid, which gives rise to what is traditionally known as phonon polaritons, is investigated both through spontaneous and stimulated Raman scattering. Experimental results relative to polariton modes excited in several semiconductors are presented to explore their dependence on the crystal symmetry, temperature, excitation wavelength and measuring techniques. In GaAs we find discrepancies between spontaneous and Impulsive Stimulated Raman Scattering (ISRS) which are attributed to the presence of free carriers interacting with the electric field of the longitudinal phonon mode. In CraSe, we successfully excite two distinct frequencies of the lower phonon polariton branch. In the transparent regime, this is accomplished combining in the same experiment backward and forward scattering, the latter one induced by the beam reflected at the back surface of the sample. Moreover, it is shown how the reduced value of the scattering cross section retrieved in the time domain experiments is attributable to the polariton field spatial distribution, estimated in accordance with the Cherenkov radiation theory. In CdSe we identify another polariton mode that is present whenever the dielectric constant of a medium becomes negative: the surface plasmon polariton. Besides coherent phonons, squeezed phonons are studied. discussing their generation and detection in regard to the ISRS theory. In particular we introduce a novel phenomenon, named "phonon echo", occurring whenever a squeezed phonon field is induced in a crystal through a double pump excitation. Simulations are shown to validate the theoretical predictions and pave the way to future experiments. Shifting to the metamaterial field, we consider a viable technique to achieve artificial diamagnetism (the magnetic permeability mu is < 1). The proposed approach is based on the well established sphere-in-a-host model that is thoroughly described with

  13. Analytical approach to phonons and electron-phonon interactions in single-walled zigzag carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Kandemir, B S; Keskin, M [Department of Physics, Faculty of Sciences, Ankara University, 06100 Tandogan, Ankara (Turkey)

    2008-08-13

    In this paper, exact analytical expressions for the entire phonon spectra in single-walled carbon nanotubes with zigzag geometry are presented by using a new approach, originally developed by Kandemir and Altanhan. This approach is based on the concept of construction of a classical lattice Hamiltonian of single-walled carbon nanotubes, wherein the nearest and next nearest neighbor and bond bending interactions are all included, then its quantization and finally diagonalization of the resulting second quantized Hamiltonian. Furthermore, within this context, explicit analytical expressions for the relevant electron-phonon interaction coefficients are also investigated for single-walled carbon nanotubes having this geometry, by the phonon modulation of the hopping interaction.

  14. Analytical approach to phonons and electron-phonon interactions in single-walled zigzag carbon nanotubes

    International Nuclear Information System (INIS)

    Kandemir, B S; Keskin, M

    2008-01-01

    In this paper, exact analytical expressions for the entire phonon spectra in single-walled carbon nanotubes with zigzag geometry are presented by using a new approach, originally developed by Kandemir and Altanhan. This approach is based on the concept of construction of a classical lattice Hamiltonian of single-walled carbon nanotubes, wherein the nearest and next nearest neighbor and bond bending interactions are all included, then its quantization and finally diagonalization of the resulting second quantized Hamiltonian. Furthermore, within this context, explicit analytical expressions for the relevant electron-phonon interaction coefficients are also investigated for single-walled carbon nanotubes having this geometry, by the phonon modulation of the hopping interaction

  15. A surface energy-budget model coupled with a Skewed Puff Model for investigating the dispersion of radionuclides in a sub-tropical area of Brazil

    International Nuclear Information System (INIS)

    Oliveira, A.P.; Soares, J.; Tirabassi, T.; Rizza, U.

    1998-01-01

    An air pollution model (Skewed Puff Model, SPM) based on the Monin-Obukhov similarity theory was applied to investigate the atmospheric dispersion of radionuclides at Ipero' in Brazil, the location of a nuclear industrial installation. The SPM numerical simulation were carried out using an input 5-minute averaged wind speed and direction observed at 11. m, friction velocity and the Monin-Obukhov length supplied by the surface energy-budget model, along with PBL height, estimated for the daytime. The agreement between the observed and simulated sensible and latent heat fluxes, friction velocity and the Monin-Obukhov length, within a level of confidence of 99.9% indicates that the internal parameters chosen for the surface energy-budget model are representative of the interface soil-vegetation conditions at Ipero'. The mean concentration field at the surface was estimated assuming that a hypothetical accident at Ipero' produced a continuous emission from a 10 m high point source for 18 hours during the summer of 1993 and of 36 hours during the winter of 1992. The results indicated that, in the case of an accident, the highest concentration values are located near to the source and most of the contaminated area is within a 5 km range, in both seasons. The shape of the contaminated area is defined by the wind and speed pattern

  16. NATO Advanced Study Institute on Nonequilibrium Phonon Dynamics

    CERN Document Server

    1985-01-01

    Phonons are always present in the solid state even at an absolute temperature of 0 K where zero point vibrations still abound. Moreover, phonons interact with all other excitations of the solid state and, thereby, influence most of its properties. Historically experimental information on phonon transport came from measurements of thermal conductivity. Over the past two decades much more, and much more detailed, information on phonon transport and on many of the inherent phonon interaction processes have come to light from experiments which use nonequilibrium phonons to study their dynamics. The resultant research field has most recently blossomed with the development of ever more sophisticated experimental and theoretical methods which can be applied to it. In fact, the field is moving so rapidly that new members of the research community have difficulties in keeping up to date. This NATO Advanced Study Institute (ASI) was organized with the objective of overcoming the information barrier between those expert...

  17. Phonon hydrodynamics for nanoscale heat transport at ordinary temperatures

    Science.gov (United States)

    Guo, Yangyu; Wang, Moran

    2018-01-01

    The classical Fourier's law fails in extremely small and ultrafast heat conduction even at ordinary temperatures due to strong thermodynamic nonequilibrium effects. In this work, a macroscopic phonon hydrodynamic equation beyond Fourier's law with a relaxation term and nonlocal terms is derived through a perturbation expansion to the phonon Boltzmann equation around a four-moment nonequilibrium solution. The temperature jump and heat flux tangential retardant boundary conditions are developed based on the Maxwell model of the phonon-boundary interaction. Extensive steady-state and transient nanoscale heat transport cases are modeled by the phonon hydrodynamic model, which produces quantitative predictions in good agreement with available phonon Boltzmann equation solutions and experimental results. The phonon hydrodynamic model provides a simple and elegant mathematical description of non-Fourier heat conduction with a clear and intuitive physical picture. The present work will promote deeper understanding and macroscopic modeling of heat transport in extreme states.

  18. Frictional drag between quantum wells mediated by phonon exchange

    DEFF Research Database (Denmark)

    Bønsager, M.C.; Flensberg, Karsten; Hu, Ben Yu-Kuang

    1998-01-01

    We use the Kubo formalism to evaluate the contribution of acoustic-phonon exchange to the frictional drag between nearby two-dimensional electron systems. In the case of free phonons, we find a divergent drag rate (tau(D)(-l)). However, tau(D)(-l) becomes finite when phonon scattering from either...... lattice imperfections or electronic excitations is accounted for. In the case of GaAs quantum wells, we find that for a phonon mean free path l(ph) smaller than a critical value, imperfection scattering dominates and the drag rate varies as ln(l(ph)/d) over many orders of magnitude of the layer separation...... d. When l(ph) exceeds the critical value, the drag rate is dominated by coupling through an electron-phonon collective mode localized in the vicinity of the electron layers. We argue that the coupled electron-phonon mode may be observable for realistic parameters. Our theory is in good agreement...

  19. Four-year survey of dissolved/dispersed petroleum hydrocarbons on surface waters of Admiralty Bay, King George Island, Antarctica

    Directory of Open Access Journals (Sweden)

    Márcia Caruso Bícego

    2003-01-01

    Full Text Available Seawater from 8 stations in Admiralty Bay was systematically sampled during the summer of 1994, 1995, 1996 and 1997 and analyzed by spectrofluorimetry to measure dissolved/dispersed petroleum hydrocarbons (DDPHs. The purpose of this study was to detect some temporal and spatial changes in terms of oil contamination of the region. The results indicate low levels of oil pollution with relatively high concentrations near the research stations located in the study area. During the summers of 1995 and 1996 the average concentrations for individual stations were low and below of 0.50 ¼g.L-1. Summers of 1994 and 1997 had relatively higher average concentrations (up to 1.57 ¼g.L-1, mainly in front of Arctowski and Ferraz Research Stations.Amostras de água na Baía do Almirantado, Península Antártica, foram sistematicamente coletadas em 8 estações durante os verões de 1994 a 1997 onde foram analisados hidrocarbonetos do petróleo dispersos e dissolvidos por espectrofluorescência. O objetivo foi avaliar variações temporais e espaciais em termos de contaminação por óleo na região. Os resultados em geral indicam baixos níveis de poluição embora tenham sido verificadas algumas concentrações relativamente maiores nas proximidades das estações de pesquisa fixadas na região de estudo. Durante os anos de 1995 e 1996 a média das concentrações foram baixas e menores que 0,50 ¼g.L-1 para os pontos individuais. Os verões de 1994 e 1997 tiveram concentrações médias mais elevadas (até 1,57 ¼g.L-1, e os maiores valores foram nas proximidades das estações brasileira e polonesa.

  20. Rayleigh Waves in Phononic Crystal Made of Multilayered Pillars: Confined Modes, Fano Resonances, and Acoustically Induced Transparency

    Science.gov (United States)

    Oudich, M.; Djafari-Rouhani, B.; Bonello, B.; Pennec, Y.; Hemaidia, S.; Sarry, F.; Beyssen, D.

    2018-03-01

    We present a design of phononic crystal based on pillars distributed on a substrate surface in which each pillar is constructed by a periodic stacking of PMMA and silicon layers. The pillar behaves like a one-dimensional phononic crystal which allows the creation of band gaps that prohibit wave propagation along the pillar. Thanks to this property, we show that confined modes are produced at the pillar-substrate interface which couples with surface acoustic waves (SAW) and causes their attenuation. Furthermore, by tailoring a defect inside the phononic pillar, we reveal the possibility to create confined cavity modes inside the band gap which can strongly couple with SAW. The cavity modes can be excited by SAW and the coupling produces sharp SAW transmissions. Additionally, we demonstrate that the coupling between the cavity modes and the confined modes at the pillar-substrate interface can give rise to a Fano-like resonance. We also evidence the possibility of generating an acoustic analogue of electromagnetically induced transparency for SAW with high transmission in a narrow bandwidth. The system presents perspectives for the design of high-quality-factor phononic excitation for optomechanic devices and phonon circuits based on SAW manipulation.