A coupled VOF–IBM–enthalpy approach for modeling motion and growth of equiaxed dendrites in a solidifying melt

A coupled methodology for simulating the simultaneous growth and motion of equiaxed dendrites in solidifying melts is presented. The model uses the volume-averaging principles and combines the features of the enthalpy method for modeling growth, immersed boundary method for handling the rigid solid–liquid interfaces, and the volume of fluid method for tracking the advection of the dendrite. The algorithm also performs explicit–implicit coupling between the techniques used. A two-dimensional framework with incompressible and Newtonian fluid is considered. Validation with available literature is performed and dendrite growth in the presence of rotational and buoyancy driven flow fields is studied. It is seen that the flow fields significantly alter the position and morphology of the dendrites.     

Bias-dependent bandwidth of the conductance in the presence of electron–phonon interaction

We study the electronic transport in the presence of electron–phonon interaction (EPI) for a molecular electronic device. Instead of mean field approximation (MFA), the related phonon correlation function is conducted with the Langreth theorem (LT). We present formal expressions for the bandwidth of the electron’s spectral function in the central region of the devices, such as quantum dot (QD), or single molecular transistor (SMT). Our results show that the out-tunneling rate depends on the energy, bias voltage and the phonon field. Besides, the predicted conductance map, behaving as a function of bias voltage and the gate voltage, gets blurred at the high bias voltage region. These EPI effects are consistent with the experimental observations in the EPI transport experiment.     

Pair-vibrational states in the presence of neutron–proton pairing

Pair vibrations are studied for a Hamiltonian with neutron–neutron, proton–proton and neutron–proton pairing. The spectrum is found to be rich in strongly correlated, low-lying excited states. Changing the ratio of diagonal to off-diagonal pairing matrix elements is found to have a large impact on the excited-state spectrum. The variational configuration interaction (VCI) method, used to calculate the excitation spectrum, is found to be in very good agreement with exact solutions for systems with large degeneracies having equal T=0$T=0$ and T=1$T=1$ pairing strengths.     

Anomalous properties of crystalline methane in the range of 60–70 K

Mechanical, structural, thermal, and spectral properties of solid methane in the temperature range 0.5T _tr-T _tr (T _tr is the triple point) at the equilibrium vapor pressure have been analyzed. It has been shown that the totality of observed anomalies in the temperature range of 60–70 K can be explained by the existence of collective rotational degrees of freedom in solid methane.     

Current–current correlation function in the presence of chemical potential and magnetic field

A (2+1)-dimensional electronic system is considered, in which the relation between the Green functions and the conductivity is used. A current–current correlation function, Π_μν(B), of the fermion system was obtained in the presence of nonquantized fermion magnetic field B, chemical potential η and gap m. Using this function one can obtain an expression for polarization operator calculated without the magnetic field. The result obtained can be applied for graphene.     

Reactive diffusion in the Ti–Si system and the significance of the parabolic growth constant

Solid diffusion couple experiments are conducted to analyse the growth mechanism of the phases and the diffusion mechanism of the components in the Ti–Si system. The calculation of the parabolic growth constants and the integrated diffusion coefficients substantiates that the analysis is intrinsically prone to erroneous conclusions if it is based on just the parabolic growth constants determined for a multiphase interdiffusion zone. The location of the marker plane is detected based on the uniform grain morphology in the TiSi₂ phase, which indicates that this phase grows mainly because of Si diffusion. The growth mechanism of the phases and morphological evolution in the interdiffusion zone are explained with the help of imaginary diffusion couples. The activation enthalpies for the integrated diffusion coefficient of TiSi₂ and the Si tracer diffusion are calculated as 190 ± 9 and 197 ± 8?kJ/mol, respectively. The crystal structure, details on the nearest neighbours of the components, and their relative mobilities indicate that the vacancies are mainly present on the Si sublattice.     

Study of Yang–Mills–Chern–Simons theory in presence of the Gribov horizon

The two-point gauge correlation function in Yang–Mills–Chern–Simons theory in three dimensional Euclidean space is analysed by taking into account the non-perturbative effects of the Gribov horizon. In this way, we are able to describe the confinement and de-confinement regimes, which naturally depend on the topological mass and on the gauge coupling constant of the theory.     

Anisotropic optical conductivity and electron–hole asymmetry in doped monolayer graphene in the presence of the Rashba coupling

In this study, the optical conductivity of substitutionary doped graphene is investigated in the presence of the Rashba spin orbit coupling (RSOC). Calculations have been performed within the coherent potential approximation (CPA) beyond the Dirac cone approximation. Results of the current study demonstrate that the optical conductivity is increased by increasing the RSOC strength. Meanwhile it was observed that the anisotropy of the band energy results in a considerable anisotropic optical conductivity (AOC) in monolayer graphene. The sign and magnitude of this anisotropic conductivity was shown to be controlled by the external field frequency. It was also shown that the Rashba interaction results in electron–hole asymmetry in monolayer graphene.     

Thermoelectric properties of magnetic configurations of graphene-like nanoribbons in the presence of Rashba and spin–orbit interactions

In this paper we investigate the influence of spin–orbit interaction and two types of Rashba interaction (intrinsic and extrinsic) on magnetic and thermoelectric properties of graphene-like zigzag nanoribbons based on the honeycomb lattice. We utilize the Kane-Mele model with additional Rashba interaction terms. Magnetic structure is described by the electron-electron Coulomb repulsion reduced to the on-site interaction (Hubbard term) in the mean field approximation. We consider four types of magnetic configurations: ferromagnetic and antiferromagnetic with in-plane and out-of plane direction of magnetization. Firstly, we analyze the influence of extrinsic Rashba coupling on systems with negligible spin–orbit interaction, e.g. graphene of an appropriate substrate. Secondly, we discuss the interplay between spin–orbit and intrinsic Rashba interactions. This part is relevant to materials with significant spin–orbit coupling such as silicene and stanene.     

Turbulent propagation of premixed flames in the presence of Darrieus–Landau instability

We investigate the role played by hydrodynamic instability in the wrinkled flamelet regime of turbulent combustion, where the intensity of turbulence is small compared to the laminar flame speed and the scale large compared to the flame thickness. To this end the Michelson–Sivashinsky (MS) equation for flame front propagation in one and two spatial dimensions is studied in the presence of uncorrelated and correlated noise representing a turbulent flow field. The combined effect of turbulence intensity, integral scale, and an instability parameter related to the Markstein length are examined and turbulent propagation speed monitored for both stable planar flames and corrugated flames for which the planar conformation is unstable. For planar flames a particularly simple scaling law emerges, involving quadratic dependence on intensity and a linear dependence on the degree of instability. For corrugated flames we find the dependence on intensity to be substantially weaker than quadratic, revealing that corrugated flames are more resilient to turbulence than planar flames. The existence of a threshold turbulence intensity is also observed, below which the corrugated flame in the presence of turbulence behaves like a laminar flame. We also analyze the conformation of the flame surface in the presence of turbulence, revealing primary, large-scale wrinkles of a size comparable to the main corrugation. When the integral scale is much smaller than the characteristic corrugation length we observe, in addition to primary wrinkles, secondary small-scale wrinkles contaminating the surface. The flame then acquires a multi-scale, self-similar conformation, with a fractal dimension, for one-dimensional flames, plateauing at 1.23 for large intensities. The existence of an intermediate integral scale is also found at which the turbulent speed is maximized. When two-dimensional flames are subject to turbulence, the primary wrinkling patterns give rise to polyhedral-cellular structures which bear a very close resemblance to those observed in experiments on hydrodynamically unstable expanding spherical flames.     

On the effect of lead concentration on the kinetics of contact melting in the Sn–Pb–Bi system in the presence of electromigration

It is determined by electron microscopy that the contact layer in the Sn–(Bi + 30 wt % Pb) system contains separate solid inclusions, while the contact layer in the Sn–(Bi + 40 wt % Pb) system is microheterogeneous. The observed structural states of alloys in the contact layers are explained by a change in the concentration of the initial contacting samples. The effect of the alloy structure and electromigration on the kinetics of contact melting is found.     

Solid–state diffusion–controlled growth of the phases in the Au–Sn system

The solid state diffusion-controlled growth of the phases is studied for the Au–Sn system in the range of room temperature to 200 °C using bulk and electroplated diffusion couples. The number of product phases in the interdiffusion zone decreases with the decrease in annealing temperature. These phases grow with significantly high rates even at the room temperature. The growth rate of the AuSn₄ phase is observed to be higher in the case of electroplated diffusion couple because of the relatively small grains and hence high contribution of the grain boundary diffusion when compared to the bulk diffusion couple. The diffraction pattern analysis indicates the same equilibrium crystal structure of the phases in these two types of diffusion couples. The analysis in the AuSn₄ phase relating the estimated tracer diffusion coefficients with grain size, crystal structure, the homologous temperature of experiments and the concept of the sublattice diffusion mechanism in the intermetallic compounds indicate that Au diffuses mainly via the grain boundaries, whereas Sn diffuses via both the grain boundaries and the lattice.     

Quantum motion of a point particle in the presence of the Aharonov–Bohm potential in curved space

The nonrelativistic quantum dynamics of a spinless charged particle in the presence of the Aharonov–Bohm potential in curved space is considered. We chose the surface as being a cone defined by a line element in polar coordinates. The geometry of this line element establishes that the motion of the particle can occur on the surface of a cone or an anti-cone. As a consequence of the nontrivial topology of the cone and also because of two-dimensional confinement, the geometric potential should be taken into account. At first, we establish the conditions for the particle describing a circular path in such a context. Because of the presence of the geometric potential, which contains a singular term, we use the self-adjoint extension method in order to describe the dynamics in all space including the singularity. Expressions are obtained for the bound state energies and wave functions.     

Sum frequency generation in the spherical quantum dots in the presence of applied electric field and spin–orbit interaction

The sum-frequency generation (SFG) is theoretically studied in a quantum dot (QD) through the framework of the effective-mass approximation and compact density matrix approach. QD is spherical with the parabolic potential confinement, under applied electric field and in the presence of Rashba spin-orbit interaction (SOI). Using the computed energies and eigenkets, the second-order susceptibility of SFG has been also calculated as a function of radius of QD, spin–orbit interaction strength and the applied electric field. The effects of Rashba SOI strength, radius of QD and the applied electric field on the second-order of susceptibility coefficient are considered.     

Refinement of the structure of hydrogen–vacancy complexes in titanium by the Rietveld method

The VT1-0 titanium alloy (phase α-Ti) with various hydrogen and hydrogen-vacancy concentrations has been studied. The stability of the 32-atom Ti–nV–mH supercell (n is the number of the V vacancies, and m is the number of hydrogen atoms H) with varying numbers of vacancies and hydrogen atoms has been calculated from the first principles. The structural state of the α-Ti phase has been identified by the Rietveld method based on the calculations of the supercell stability and the data on the defect concentration obtained using positron spectroscopy. The complete structural information on the considered states of the α-Ti phase (the lattice parameters, spatial distribution of titanium and hydrogen atoms and vacancies) has been obtained.     

Cavity-mediated stationary atom–mirror entanglement in the presence of photothermal effects

We study stationary entanglement properties of an optomechanical system containing an atomic ensemble. We focus onto the case of the movable mirror strongly coupled to the cavity field through both radiation pressure and photothermal force. Exploiting a quantum Langevin equation approach we investigate the bipartite entanglement properties of various bipartite subsystems as well as stationary tripartite entanglement of the system. We particularly study robustness of the atom–mirror entanglement against temperature. We show that, even though the photothermal force is a dissipative force, it can significantly improve the cavity mediated atom–mirror entanglement.     

Baxter–Wu model in the presence of an external magnetic field

In this work we study an unusual phase transition of the Baxter–Wu model in the presence of an external magnetic field. The model is pure Baxter–Wu, which means that only three-spin interactions are taken into account. We construct a phase diagram on the temperature–field plane based mainly on the singularities of the specific heat. These singularities are more clearly observed than those of the magnetic susceptibility which are used in existing works. We establish a discontinuity in the critical exponents when the field is changed from zero to negative.     

Collision dynamics of two Bose–Einstein condensates in the presence of Raman coupling

A collision of two-component Bose-Einstein condensates in the presence of Raman coupling is proposed and studied by numerical simulations. Raman transitions are found to be able to reduce collision-produced irregular excitations by forming a time-averaged attractive optical potential. Raman transitions also support a kind of dark soliton pair in two-component Bose-Einstein condensates. Soliton pairs and their remnant single solitons are shown to be controllable by adjusting the initial relative phase between the two colliding condensates or the two-photon detuning of Raman transitions. Received: 5 February 2001 / Published online: 27 April 2001     

Ultrasound facilitates the synthesis of potassium hexatitanate and co-intercalation with PbS–CdS nanoparticles

In this paper, ultrasonic irradiation was applied for the synthesis of K₂Ti₆O₁₃ nanobelts and novel nanocomposite (PbS–CdS/Ti₆O₁₃) through ion exchanging and co-intercalation processes. Thirty minutes of ultrasonic irradiation caused the formation of pure, uniform potassium hexatitanate with smaller particle size. The incorporation of PbS and CdS nanoparticles into the layers and on the surface of titanate in the presence of ultrasound was done directly, without pre-treatment process and led to the preparation of new nanocomposite. The physicochemical properties of the layered K₂Ti₆O₁₃ and PbS–CdS/Ti₆O₁₃ nanocomposite were analyzed by field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), ultraviolet–visible spectra (UV–vis), Fourier transform infrared spectroscopy (FTIR) and photoluminescence technique (PL). The results showed that the PbS–CdS/Ti₆O₁₃ possessed a higher interlayer spacing than that of K₂Ti₆O₁₃, which indicated the formation of an intercalated nanomaterial. Besides that the absorption edge of titanate shifted to the visible light region owing to the incorporation of semiconductor guest molecules. These characteristics make these nanocomposites promising for use as photocatalysts. Besides that, other samples were synthesized by stirring method at the same conditions and their characteristics were compared with sono-synthesized samples.     

On the Goos–Hänchen Effect in the Case of Excitation of Surface Waves in the Kretschmann Scheme

Optics and Spectroscopy - A theoretical method for investigating reflection of a finite-aperture plane light beam from a flat-layered structure in the Kretschmann scheme is considered. The...