Electrons, phonons and superconductivity in C16 structured Zr2Fe

Inelastic neutron scattering and low-temperature specific heat measurements are reported for a polycrystalline sample of Zr₂Fe. Lattice dynamical calculation of the phonon spectrum, along with first-principles LMTO electronic structure calculations have been used for deriving the specific heat parameters, the electron–phonon coupling constant and the superconducting transition temperature. The results are in fair agreement with the experimental data.     

The temperature evolution of the magnetic correlations in pure and diluted spin ice Ho2−xYxTi2O7

Diffuse polarized neutron scattering studies have been carried out on single crystals of pyrochlore spin ice Ho_2−xY_xTi₂O₇ (x=0, 0.3, and 1) to investigate the effects of doping and anisotropy on spin correlations in the system. The crystals were aligned with the (1 −1 0) orientation coincident with the direction of neutron polarization. For all the samples studied the spin flip (SF) diffuse scattering (i.e. the in-plane component) reveals that the spin correlations can be described using a nearest-neighbour spin ice model (NNSM) at higher temperatures (T=3.6 K) and a dipolar spin ice model (DSM) as the temperature is reduced (T=30 mK). In the non-spin flip (NSF) channel (i.e. the out-of-plane component), the signature of strong antiferromagnetic correlations is observed for all the samples at the same temperature as the dipolar spin ice behaviour appears in the SF channel. Our studies show that the non-magnetic dopant Y does not significantly alter SF or NSF scattering for the spin ice state, even when Y doping is as high as 50%. In this paper, we focus on the experimental results of the highly doped spin ice HoYTi₂O₇ and compare our results with pure spin ice Ho₂Ti₂O₇. The crossover from a dipolar to a nearest-neighbour spin ice behaviour and the doping insensitivity in spin ices are briefly discussed.     

A High-Order Immersed Boundary Method for Acoustic Wave Scattering and Low-Mach Number Flow-Induced Sound in Complex Geometries

A new sharp-interface immersed boundary method based approach for the computation of low-Mach number flow-induced sound around complex geometries is described. The underlying approach is based on a hydrodynamic/acoustic splitting technique where the incompressible flow is first computed using a second-order accurate immersed boundary solver. This is followed by the computation of sound using the linearized perturbed compressible equations (LPCE). The primary contribution of the current work is the development of a versatile, high-order accurate immersed boundary method for solving the LPCE in complex domains. This new method applies the boundary condition on the immersed boundary to a high-order by combining the ghost-cell approach with a weighted least-squares error method based on a high-order approximating polynomial. The method is validated for canonical acoustic wave scattering and flow-induced noise problems. Applications of this technique to relatively complex cases of practical interest are also presented.     

Surface State‐Induced Anomalous Negative Thermal Quenching of Multiferroic BiFeO3 Nanowires

Wide‐bandgap semiconductor nanowires with surface defect emission centers have the potential to be used as sensitive thermometers and optical probes. Here, we show that the green luminescence of multiferroic BiFeO₃ (BFO) nanowires shows an anomalous negative thermal quenching (NTQ) with increasing temperatures. The release of trapped carriers from localized surface defect states is suggested as the possible mechanism for the increased green luminescence which was experimentally observed at elevated temperatures. A reasonable interpretation of the photoluminescence (PL) processes in BFO nanowires is achieved, and the activation energies of the PL quenching and thermal hopping are deduced. Negative thermal quenching of BFO nanowires provides a new strategy for optical thermometry at higher temperatures.     

Fuel spray visualization and its impingement analysis on in-cylinder surfaces in a direct-injection spark-ignition engine

Abstract  

Experiments are performed to investigate the effects of fuel spray on in-cylinder mixture preparation and its impingement on cylinder walls and piston top inside a direct-injection spark-ignition engine with optical access to the cylinder. Novel image processing algorithms are developed to analyze the fuel impingement quantitatively on in-cylinder surfaces. The technique is useful to optimize the fuel pressure, injection timing and the number of injections to minimize the fuel impingement on in-cylinder surfaces. E85, which represents a blend of 85% ethanol and 15% gasoline (by volume) is used in this study. Two types of fuel injectors are used; (i) low-pressure production-intent injector with fuel pressure of 3 MPa, and (ii) high-pressure production injector with fuel pressures of 5 and 10 MPa. In addition, the effects of split injection are also presented by maintaining the same amount of fuel used in single injection. It is found that the split injection is an effective way to reduce the overall fuel impingement on in-cylinder surfaces while maintaining a reasonably good air–fuel mixture in the cylinder.     

On simplifying ‘incremental remap’–based transport schemes

The flux-form incremental remapping transport scheme introduced by Dukowicz and Baumgardner [1] converts the transport problem into a remapping problem. This involves identifying overlap areas between quadrilateral flux-areas and regular square grid cells which is non-trivial and leads to some algorithm complexity. In the simpler swept area approach (originally introduced by Hirt et al. [2]) the search for overlap areas is eliminated even if the flux-areas overlap several regular grid cells. The resulting simplified scheme leads to a much simpler and robust algorithm.     

Dosimetric evaluation of an indigenously developed 10 MeV industrial electron beam irradiator

The high dose rate electron beams are increasingly being used for radiation processing of various products worldwide. A comprehensive dosimetric evaluation of an in-house developed 10 MeV industrial electron beam irradiator was carried out in static as well as in dynamic mode of irradiations. Radiochromic B3 film and graphite calorimeter were used for dosimetric measurements. The dose rate from the electron beam was also calculated using the empirical relation prescribed in the ASTM report E2232-02. The measured electron beam profile indicates the dose rate variation within 8% in the irradiated product boxes. The most probable energy determined from the depth dose distribution in PMMA, Al and water was found in agreement with the intended energy of the electron beam. Measured dose rate using radiochromic film and graphite calorimeter were found in good agreement with each other and also found comparable with the theoretically estimated dose rates. Experimentally measured dose rates were considered for the trial irradiation of medical and industrial products. Dosimetric data obtained through this study confirms the suitability of the irradiator for routine radiation processing of various products.     

Self-focusing of electromagnetic waves in a magnetoplasma

The steady state self-focusing of a Gaussian electromagnetic beam in a magneto-plasma has been studied. On a short time scale, a non-linearity in the dielectric constant of a plasma appears due to the ponderomotive force. This force in the case of the extraordinary mode has opposite signs forω>ω _c andω<ω _c, whereω _c is the electron cyclotron frequency. The self-focusing due to this effect is predicted at frequencies except forω _c /2<ω<ω _c . The focusing of the ordinary mode is adversely affected by the magnetic field. On a larger time scale, the non-uniform heating of electrons by the beam and the resulting redistribution of the electron density is a source of non-linearity. This non-local non-linearity is several orders of magnitude higher than the ponderomotive non-linearity. We predict self-focusing of the extraordinary mode only above the gyroresonance (ω>ω _c ), while the ordinary mode can be focused at all frequencies.     

Cellulose polymorphism study with sum-frequency-generation (SFG) vibration spectroscopy: identification of exocyclic CH2OH conformation and chain orientation

Sum-frequency-generation (SFG) vibration spectroscopy is a technique only sensitive to functional groups arranged without centrosymmetry. For crystalline cellulose, SFG can detect the C6H₂ and intra-chain hydrogen-bonded OH groups in the crystal. The geometries of these groups are sensitive to the hydrogen bonding network that stabilizes each cellulose polymorph. Therefore, SFG can distinguish cellulose polymorphs (I_β, II, III_I and III_II) which have different conformations of the exocyclic hydroxymethylene group or directionalities of glucan chains. The C6H₂ asymmetric stretching peaks at 2,944 cm^?1 for cellulose I_β and 2,960 cm^?1 for cellulose II, III_I and III_II corresponds to the trans-gauche (tg) and gauche-trans (gt) conformation, respectively. The SFG intensity of the stretch peak of intra-chain hydrogen-bonded O–H group implies that the chain arrangement in cellulose crystal is parallel in I_β and III_I, and antiparallel in II and III_II.     

A DFT study of the conformational and electronic properties of echinatin,a retrochalcone,and its anion in the gas phase and aqueous solution

Structural Chemistry - Echinatin (Ech), a characteristic retrochalcone isolated from liquorice, a widely used herbal medicine, has been investigated in detail in terms of its conformational and...