Comparison of spectroscopic properties of Yb:YAP and YbiYAG crystals

The Yb:YAG and Yb:YAP crystals have been grown by Czochralski method. The absorption spectra and the fluorescence spectra of Yb:YAG and Yb:YAP crystals have been investigated. It is shown that the Yb:YAG crystal has better laser properties and smaller threshold power than Yb:YAP crystal. In addition, the absorption cross-section of the Yb:YAP crystal is 2.16 times of that of the Yb:YAG crystal, so laser diode pumped Yb:YAG lasing can be easily realized. Because YAP single crystal is anisotropic, it is provided with polarization characteristics.     

Absorption and emission properties of phenylene ethynylene oligomers: effect of substitution and π-conjugation length

The optical properties of a series of π-conjugated phenylene-ethynylene oligomers (OPEs) have been studied by advanced quantum chemical methods. The ground state and lowest singlet excited state geometries of unsubstituted and different electron donor and acceptor groups substituted OPEs are optimized by density functional theory and configuration interaction singles methods. The absorption and emission spectra of unsubstituted and substituted OPEs have been calculated using the time-dependent density functional theory (TDDFT) method. The results of theoretical calculations are in good agreement with the available experimental results. It has been found that the substitution of electron donating and withdrawing groups in the phenyl ring and conjugation length of the OPEs has significantly affect both the absorption and emission spectra     

Atomic-scale simulation of nano-grains:structure and diffusion properties

Nanograins are characterized by a typical grain size from lto 100 nm.Mclecular dynamics aimubations have been carried out for the nanograin sphere with the diameters from 1.45 to 10.12 nm.We study the influence of grain size on structure and diffusion properties of the nanograins.The results reveal that as the grain size is reduced,the fraction of grain surface increases significantly,and the surface width is approximately constant；the diffusicn coefficlent is increased sharply,and the relation of the diffusion coefficient and the grain size is close to exponential relation below 10nm.     

Optical spectroscopy and diode-pumped laser characteristics of codoped Tm-Ho : YLF and Tm-Ho : BaYF : a comparative analysis

Single crystals of monoclinic BaY₂F₈ and tetragonal LiYF₄ codoped with the same Tm³⁺ and Ho³⁺ concentrations were successfully grown by the Czochralski method. Here we present a comparative analysis of the two hosts including spectroscopic characterization and cw diode-pumped laser experiments in the 2-μm wavelength region at room temperature. The main differences between the two hosts are a lower slope efficiency associated with a much wider tuning range (2005–2094 nm) of BaY₂F₈ with respect to LiYF₄. Received: 29 July 2002 / Published online: 11 December 2002 RID="*" ID="*"Corresponding author. Fax: +39-050/2214-333, E-mail: toncelli@df.unipi.it     

Enhancement of Piezoelectric and Dielectric Properties and Macroscopic Relaxation of Charge and Field Response in 0–3 Ceramic-Pore Composites: Theory and Experiment

In this work, we have theoretically and experimentally described the dielectric and piezoelectric properties of ceramic-based lead zirconate–titanate composites that have a 0–3 bond. Based on the proposed model, the frequency dependences of the dielectric and piezoelectric response have been determined theoretically and experimentally. The influence of the Maxwell–Wagner relaxation and the effective parameter approximation on the physical properties of disordered objects of statistical mixture have been studied. The distribution functions of the times of intercomponent relaxation in the piezoceramic–pores composite system and the concentration dependences of the effective field responses have been determined. The theoretical and experimental results obtained have been compared.     

Synthesis and properties of novel blue-emitting materials:anthracene-based derivatives

Two kinds of novel blue-emitting materials, anthracene-based derivatives, are synthesized by the Suzuki coupling reaction. It is worth noting that the maximum emission wavelengths of the two materials are 441 and444 nm in tetrahydrofuran and 456 and 454 nm in film states, which are the typical blue fluorescence and the fluorescence quantum yields of them are 0.87 and 1.12 by using 9,10-diphenylanthracene eΦf=0.90 T as a calibration standard. The full width at half maximum of them are 56, 55 nm in solution, respectively, presenting good color purity. Both of them display superior thermal properties and electrochemical properties.Scanning electronic microscope results show that the films of two compounds are continuous, compact, and smooth after 100°C for 3 h. These data indicate their potential to be prepared for high efficiency and long operation lifetime organic light-emitting diodes devices.     

Study of archaeological underwater finds: deterioration and conservation

This study is aimed at an assessment of the methodologies, instruments and new applications for underwater archaeology. Research focused on study of the various kinds of degradation affecting underwater finds and stone materials aged in underwater environment, efficiency evaluation of various surface cleaning methods and study and mixing of protective products with consolidating resins and antimicrobial biocides to be applied to restored underwater finds. Transmitted light optical microscopy and scanning electron microscopy (SEM) were used to study surface biofilms and the interactions with samples of different stone materials such as brick, marble and granite immersed in the submarine archaeological area of Crotone (South of Italy). Surface cleaning tests were performed with application of ion exchange resins, EDTA, hydrogen peroxide and ultrasound techniques. Capillary water absorption, simulated solar ageing and colourimetric measurements were carried out to evaluate hydrophobic and consolidant properties; to assess biocidal efficacy, heterotrophic micro-organisms (Aspergillus niger) were inoculated on agar plates and growth inhibition was measured.     

A review of: “Classical electricity and magnetism”

The article reviews the considerable progress that has been made recently in the experimental determination of the electronic structure of metals and in particular the determination of Fermi surfaces and neighbouring surfaces of constant energy. In Part I the concept of electronic structure is briefly explained and this is followed by a simple analysis of the dynamics of electron motion in a magnetic field. The geometry of the orbit carried out by an electron in real space is related to the geometry of surfaces of constant energies in k-space and it is shown how the dimensions of orbits may be inferred from size-effect and ultrasonic experiments if perfect enough samples are available. Finally the frequency of rotation of the electrons in a magnetic field is related to a differential property of the constant energy surfaces and it is shown how this frequency can be measured in experiments on cyclotron resonance.

Part II starts by considering the effect of purification of the orbital motion and it is shown that this leads to an oscillatory field dependence of the magnetic properties known as the de Haas-van Alphen effect. The conditions for practical observation of this effect are discussed and it is shown that it can provide valuable information about the electronic structure. The frequency of the oscillations gives extreme areas of the Fermi surface, the temperature dependence of amplitude gives information similar to that from cyclotron resonance, while the field dependence of amplitude gives information about scattering time. As an illustration of the experimental methods a fairly detailed account is given of the determination of the Fermi surface of copper and of the variation of electron velocity over this Fermi surface. The article concludes with a brief mention of the more complicated Fermi surfaces of a few polyvalent metals.     

Antioxidative and α-glucosidase inhibitory constituents of Polyscias guilfoylei: experimental and computational assessments

Molecular Diversity - Searching for bioactive agents from medicinal plants, eleven constituents were isolated from Polyscias guilfoylei stem for the first time, including a nucleoside uracil (1),...     

Structure and stability of annular sheared channel flows: effects of confinement,curvature and inertial forces – waves

The structure and stability of the flows in an annular channel sheared by a rotating lid are investigated experimentally, theoretically and numerically. The channel has a square section, and a small curvature parameter: the ratio Γ of the inter-radii to the mean radius is 9.5%. The sidewalls and the bottom of the channel are integral and can rotate independently of the lid, permitting pure shear, co-rotation and counter-rotation cases. The basic flows obtained at small shear are characterized. In the absence of co-rotation, the centrifugal force linked with the curvature of the system plays an important role, whereas, when co-rotation is fast, the Coriolis force dominates. These basic flows undergo some instabilities when the shear is increased. These instabilities lead to supercritical traveling waves in the pure shear and co-rotation cases, but to weak turbulence in the counter-rotation case. The Reynolds number for the onset of instabilities, constructed with the velocity difference between the lid and bottom at mid-radius, and the height of the channel, increases from 1000 in the counter-rotation case to 1260 in the pure shear case and higher and higher values when co-rotation increases, i.e., when the Coriolis effect increases. The relevance of uni-dimensional Ginzburg-Landau models to describe the dynamics of the waves is studied. The domain of validity of these models turns out to be quite narrow.     

Role of Al atom on structural and magnetic properties of β-SiC:Cr

The electronic structure, magnetic properties and also the bonding mechanism of the pure SiC and compounds SiC:Cr and SiC:Cr:Al have been studied using the Quantum SPRESSO Software within the density-functional theory (DFT). β-SiC, which is a nonmagnetic semiconductor, has more applications in industry. For the magnetic property, it is alloyed with transition metal. One of the transition metal is chromium. The calculations showed that its alloy at both Si site and C site (SiC:Cr) changes the physical properties of the host material and contributes in the molecular bond. It is seen that if the Al atom was doped in the compounds, SiC:Cr will produce hole carriers and the magnetic properties will thus increase to the considerable values due to the mediation effect. The magnetic property will create the up and down spin band gap to filter carriers. The charge density distribution illustrates that the Al atom has the atomic behavior in the compounds Sic:Cr:Al and does not contribute in the molecular bond. For comparison, the calculations were performed for the pure β-SiC.     

Speeds of sound and isothermal compressibility of ternary liquid systems: Application of Flory’s statistical theory and hard sphere models

Speeds of sound and densities of three ternary liquid systems namely, toluene + n-heptane + n-hexane (I), cyclohexane + n-heptane + n-hexane (II) and n-hexane + n-heptane + n-decane (III) have been measured as a function of the composition at 298.15 K at atmospheric pressure. The experimental isothermal compressibility has been evaluated from measured values of speeds of sound and density. The isothermal compressibility of these mixtures has also been computed theoretically using different models for hard sphere equations of state and Flory’s statistical theory. Computed values of isothermal compressibility have been compared with experimental findings. A satisfactory agreement has been observed. The superiority of Flory’s statistical theory has been established quite reasonably over hard sphere models.      

High resolution FTIR study of the ν5 and ν6 bands of CH2D35Cl: analysis of resonances and determination of ground and upper state constants

The isotopically pure form of methyl chloride, CH₂D³⁵Cl, was synthesized and investigated by Fourier transform infrared spectroscopy with an unapodized resolution of 0.004?cm^?1 in the range 650–900?cm^?1, the region of the lowest fundamentals ν₅ (827?cm^?1) and ν₆ (714?cm^?1). These distinct bands have been analysed in detail in the P-, Q- and R-branches. In spite of their expected a/b-hybrid nature, both envelopes show the peculiar characteristic of only a-type bands of near prolate asymmetric top molecules. Ground state parameters have been determined for the first time through ground state combination differences from both bands. Parameters of the excited vibrational states and coupling constants have been obtained using a model which accounts for c-type Coriolis interaction and ΔK_a?=?±?2 anharmonic resonance.     

Mesonic decays of τ− lepton: Effects of neutrino mass and mass mixing

Experimentally established mesonic decays ofτ ⁻ lepton have been reexamined with the inclusion of the effects of finite neutrino mass and the associated mass mixing in the form of Kobayashi-Maskawa mixing matrix. A comparison with the experimentally predicted decay probabilities provides limits for thev _τ mass which are finite in all decays except for the lower limit in mass mixing case of the decayτ ⁻→K*⁻ (892)+v _τ for which MeV. The large error in this value is because of (i) large errors in the experimental values of life time and branching ratio for this decay and (ii) thekm mixing used in the calculations. The ratio of parity-violating to parity-conserving terms in the differential decay probabilities of various decays differs slightly from their values corresponding to those with varishingv _τ mass.     

Investigation of structural and electronic properties of β- HgS: Molecular dynamics simulations

The pressure induced phase transition of β-HgS is studied using an ab initio molecular dynamics simulation. The structural phase transformation from the zinc-blende structure to the NaCl-type structure (space group $Fm\overline{3}m$) and from this structure to CsCl-type structure ($Pm\overline{3}m$) with the application of hydrostatic pressure is predicted. Additionally, the electronic properties of HgS and various physical properties such as the lattice constants, the bulk modulus and the pressure derivative of the bulk modulus are revealed. Furthermore, these phase transitions are obtained using the total energy and enthalpy calculations. According to these calculations these transformations are occurring at about 20?GPa and 28?GPa for $F\overline{4}3m$ →$Fm\overline{3}m$ and $Fm\overline{3}m$ →$Pm\overline{3}m$, respectively.     

Continuous and pulsed ultrasound-assisted extraction of carob’s antioxidants: Processing parameters optimization and identification of polyphenolic composition

Polyphenols in carobs have recently attracted great attention due to their wide range of biological and health promoting effects. A comprehensive study was conducted to find an optimum method for the extraction, purification and characterization of these valuable bioactive substances. Under this framework, the ultrasound-assisted extraction (UAE) of polyphenols from carob pulp was optimized by the maximization of the yield in total phenolics using response surface methodology. In particular, the effects of solid-solvent ratio, solvent concentration, extraction time, sonication amplitude, and sonication mode were investigated and optimized using a complete experimental design. In comparison to conventional extraction techniques, UAE offered a higher yield of antioxidants and a shorter processing time. Solid-phase extraction was evaluated as a clean-up strategy prior to the electrophoretic analysis of extracts. The results from the analysis of real samples revealed the predominance of gallic acid and highlighted the great influence of the ripening stage on carobs composition.     

Formation and characterization of porous silicon–samarium/gadolinium nanocomposites: effect of substrate oxidation and biosynthesis process

Samarium and gadolinium nanoparticles synthesized by bioreduction process have been incorporated into nanostructured porous silicon template to form a nanocomposite. The structural and optical properties of PS–Gd and PS–Sm nanocomposites have been studied through TEM, SEM and UV–Vis spectroscopy. Extent of infiltration has been verified through reflectance interference Fourier transform spectroscopy as a function of substrate oxidation conditions. The substrates oxidized at 600 °C showed the maximum infiltration and the corresponding change of optical thickness due to nanoparticles. Such biodegradable nanocomposites in the form of particles can have potential applications in localized drug delivery and enhancement of the image contrast and optoelectronic devices. The results here reported open an energy-cheap procedure to take advantages of small rare earth nanoparticles and produced nanocomposites with their immersion in SiO₂ substrates, with the perspective to be replied in other similar substrates under controlled conditions.