The Δ- Method for the Boltzmann Equation

A new numerical method is proposed to solve the Boltzmann equation. A frame is set up by using a discrete velocity approximation in the infinite velocity space, but by considering only those distribution function points which are not too small. The distribution function points may occur anywhere in the infinite discrete velocity space and are not constrained to a pre-specified region. A fourth-order finite difference is used for the convection terms. A Monte Carlo-like method is applied to the discrete velocity model of the collision integral. The effort of the method is proportional to the number of discrete points. Numerical examples are given for the full Boltzmann equation and results for some benchmark problems are compared with analytical or prior solutions.     

Classical and quantum q-deformed physical systems

On the basis of non-commutative q-calculus, we investigate a q-deformation of the classical Poisson bracket in order to formulate a generalized q-deformed dynamics in the classical regime. The obtained q-deformed Poisson bracket appears invariant under the action of the q-symplectic group of transformations. Within this framework we introduce the q-deformed Hamilton equations and we derive the evolution equation for some simple q-deformed mechanical systems governed by a scalar potential dependent only on the coordinate variable. It appears that the q-deformed Hamiltonian, which is the generator of the equation of motion, is generally not conserved in time but, in correspondence, a new constant of motion is generated. Finally, by following the standard canonical quantization rule, we compare the well-known q-deformed Heisenberg algebra with the algebra generated by the q-deformed Poisson bracket. PACS 02.45.Gh, 45.20.-d, 03.65.-w, 02.20.Uw     

Determination of electrical and solar cell parameters of FTO/CuPc/Al Schottky devices

A Schottky structure is fabricated using CuPc sandwiched between fluorinated tin oxide (FTO) and aluminium electrodes. The electrical properties of the device are measured at room temperature. Permittivity of the device is calculated from capacitance measurements. The saturation current density, , diode ideality factor, n=3.02 and barrier height, are determined for the Schottky juction. Reverse bias versus is interpreted in terms of Schottky emission. Solar cell parameters are determined from the J-V characteristics. Power conversion efficiency, η of 0.0024% is obtained for the cell. Band gap energy of the material is determined from UV-visible absorption spectrum.     

DNA-directed artificial light-harvesting antenna

Designing and constructing multichromophoric, artificial light-harvesting antennas with controlled interchromophore distances, orientations, and defined donor-acceptor ratios to facilitate efficient unidirectional energy transfer is extremely challenging. Here, we demonstrate the assembly of a series of structurally well-defined artificial light-harvesting triads based on the principles of structural DNA nanotechnology. DNA nanotechnology offers addressable scaffolds for the organization of various functional molecules with nanometer scale spatial resolution. The triads are organized by a self-assembled seven-helix DNA bundle (7HB) into cyclic arrays of three distinct chromophores, reminiscent of natural photosynthetic systems. The scaffold accommodates a primary donor array (Py), secondary donor array (Cy3) and an acceptor (AF) with defined interchromophore distances. Steady-state fluorescence analyses of the triads revealed an efficient, stepwise funneling of the excitation energy from the primary donor array to the acceptor core through the intermediate donor. The efficiency of excitation energy transfer and the light-harvesting ability (antenna effect) of the triads was greatly affected by the relative ratio of the primary to the intermediate donors, as well as on the interchromophore distance. Time-resolved fluorescence analyses by time-correlated single-photon counting (TCSPC) and streak camera techniques further confirmed the cascading energy transfer processes on the picosecond time scale. Our results clearly show that DNA nanoscaffolds are promising templates for the design of artificial photonic antennas with structural characteristics that are ideal for the efficient harvesting and transport of energy.     

Synthesis, characterization, and electronic structure of new type of heterometallic boride clusters

The reaction of [Cp*TaCl(4)], 1 (Cp* = η(5)-C(5)Me(5)), with [LiBH(4)·THF] at -78 °C, followed by thermolysis in the presence of excess [BH(3)·THF], results in the formation of the oxatantalaborane cluster [(Cp*Ta)(2)B(4)H(10)O], 2 in moderate yield. Compound 2 is a notable example of an oxatantalaborane cluster where oxygen is contiguously bound to both the metal and boron. Upon availability of 2, a room temperature reaction was performed with [Fe(2)(CO)(9)], which led to the isolation of [(Cp*Ta)(2)B(2)H(4)O{H(2)Fe(2)(CO)(6)BH}], 3. Compound 3 is an unusual heterometallic boride cluster in which the [Ta(2)Fe(2)] atoms define a butterfly framework with one boron atom lying in a semi-interstitial position. Likewise, the diselenamolybdaborane, [(Cp*Mo)(2)B(4)H(4)Se(2)], 4 was treated with an excess of [Fe(2)(CO)(9)] to afford the heterometallic boride cluster [(Cp*MoSe)(2)Fe(6)(CO)(13)B(2)(BH)(2)], 5. The cluster core of 5 consists of a cubane [Mo(2)Se(2)Fe(2)B(2)] and a tricapped trigonal prism [Fe(6)B(3)] fused together with four atoms held in common between the two subclusters. In the tricapped trigonal prism subunit, one of the boron atoms is completely encapsulated and bonded to six iron and two boron atoms. Compounds 2, 3, and 5 have been characterized by mass spectrometry, IR, (1)H, (11)B, (13)C NMR spectroscopy, and the geometric structures were unequivocally established by crystallographic analysis. The density functional theory calculations yielded geometries that are in close agreement with the observed structures. Furthermore, the calculated (11)B NMR chemical shifts also support the structural characterization of the compounds. Natural bond order analysis and Wiberg bond indices are used to gain insight into the bonding patterns of the observed geometries of 2, 3, and 5.     

To stay as allene or go further? Synthesis of novel phosphono-heterocycles and polycyclics via propargyl alcohols

The reaction of aryl-substituted propargyl alcohols possessing o-nitro and o-alkylidene groups with (RO)(2)PCl afford novel phosphono(tetrahydro)dibenzazepines, N-hydroxyindolinones or polycyclics (including one with three fused four-membered rings).     

Composite Control of a Hovering Helicopter Based on Optimized Sliding Mode Control

Journal of Optimization Theory and Applications - A composite control law for stabilizing a small-scale helicopter during hover flight mode is proposed in this paper. The proposed method is...     

Convective Instability of Oldroyd-B Fluid Saturated Porous Layer Heated from Below using a Thermal Non-equilibrium Model

The linear stability of a viscoelastic fluid saturated densely packed horizontal porous layer heated from below and cooled from above is investigated by considering the Oldroyd-B type fluid. A generalized Darcy model, which takes into account the viscoelastic properties, is employed as momentum equation and a two-field model is used for energy equation each representing solid and fluid phases separately. Linear stability analysis suggests that, there is a competition between the processes of viscous relaxation and thermal diffusion that causes the first convective instability to be oscillatory rather than stationary. Analytical expression for the occurrence of oscillatory onset is obtained, and it is found that the necessary condition for the existence of the same is Λ < 1. Besides, the effect of viscoelastic parameters and the thermal non-equilibrium on the stability of the system is analyzed.