Size dependence of the bulk modulus of semiconductor nanocrystals from first-principles calculations

The variation in the bulk modulus of semiconductor nanoparticles has been studied within first-principles electronic-structure calculations using the local density approximation (LDA) for the exchange correlation. Quantum Monte Carlo calculations carried out for a silicon nanocrystal Si87H76 provided reasonable agreement with the LDA results. An enhancement was observed in the bulk modulus as the size of the nanoparticle was decreased, with modest enhancements being predicted for the largest nanoparticles studied here, a size just accessible in experiments. To access larger sizes, we fit our calculated bulk moduli to the same empirical law for all materials, the asymptote of which is the bulk value of the modulus. This was found to be within 2-10% of the independently calculated value. The origin of the enhancement has been discussed in terms of Cohen's empirical law M.L. Cohen, Phys. Rev. B 32, 7988 (1985)] as well as other possible scenarios.

High accuracy curve fits for chirality, length and diameter dependent initial modulus of single walled carbon nanotubes

Many previous studies regarding the estimation of mechanical properties of single walled carbon nanotubes (SWCNTs) report that, the modulus of SWCNTs is chirality, length and diameter dependent. Here, this dependence is quantitatively described in terms of high accuracy curve fit equations. These equations allow us to estimate the modulus of long SWCNTs (lengths of about 100-120 nm) if the value at the prescribed low lengths (lengths of about 5-10 nm) is known. This is supposed to save huge computational time and expense. Also, based on the observed length dependent behavior of SWCNT initial modulus, we predict that, SWCNT mechanical properties such as Young's modulus, secant modulus, maximum tensile strength, failure strength, maximum tensile strain and failure strain might also exhibit the length dependent behavior along with chirality and length dependence. (C) 2010 Elsevier B.V. All rights reserved.

3-Dimensional laminar boundary-layer in a constant-pressure diverging

larity solution is obtained for laminar 3D constant pressure flow with lateral streamline divergence. The similarity solution is shown to reduce to a Blasius solution for 2D flow over a flat plate. Measurements of velocity profiles are made to compare the similarity solution and are found to be in excellent agreement with the prediction

Affine Hall-Littlewood Functions for A(1)((1)) And Some Constant Term Identities of Cherednik-Macdonald-Mehta Type

We study t-analogs of string functions for integrable highest weight representations of the affine Kac-Moody algebra A(1)((1)). We obtain closed form formulas for certain t-string functions of levels 2 and 4. As corollaries, we obtain explicit identities for the corresponding affine Hall-Littlewood functions, as well as higher level generalizations of Cherednik's Macdonald and Macdonald-Mehta constant term identities.

Electrical Relaxation and Transport in 0.5Cs(2)O-0.5Li(2)O-3B(2)O(3) Glasses

The frequency and temperature dependence of the dielectric constant and the electrical conductivity of the transparent glasses in the composition 0.5Cs(2)O-0.5Li(2)O-3B(2)O(3) (CLBO) were investigated in the 100 Hz - 10 MHz frequency range. The dielectric constant for the as-quenched glass increased with increasing temperature, exhibiting anomalies in the vicinity of the glass transition and crystallization temperatures. The temperature coefficient of dielectric constant was estimated (35 +/- 2 ppm. K-1) using Havinga's formula. The dielectric loss at 313 K is 0.005 +/- 0.0005 at all the frequencies understudy. The activation energy associated with the electrical relaxation determined from the electric modulus spectra was found to be 1.73 +/- 0.05 eV, close to that of the activation energy obtained for DC conductivity (1.6 +/- 0.06 eV). The frequency dependent electrical conductivity was analyzed using Jonscher's power law. The combination of these dielectric characteristics suggests that these are good candidates for electrical energy storage device applications.

Generalised one-dimensional burgers'equation in relativistic fluiddynamics

This work deals with the effects of weak nonlinearity and weak dissipation on a linear wave in relativistic gasdynamics. Using perturbation and asymptotic expansions, a relativistic analogue of generalised one-dimensional Burgers' equation of classical gasdynamics is derived to describe far-field description of the wave. Steady state solution is presented for strict one-dimensional case.

Practical constant-accuracy linear weir

This paper is concerned with the modifications of the Extended Bellmouth Weir (EBM weir) earlier designed by Keshava Murthy. It is shown that by providing inclined sides (equivalent to providing an inward-trapezoidal weir) over a sector of a circle of radius R, separated by a distance 2t, and depth d, the measurable range of EBM can be considerably enhanced (over 375%). Simultaneously, the other parameters of the weir are optimized such that the reference plane of the weir coincides with its crest making it a constant-accuracy linear weir. Discharge through the aforementioned weir is proportional to the depths of flow measured above the crest of the weir for all heads in the range of 0.5R less-than-or-equal-to h less-than-or-equal-to 7.9R, within a maximum deviation of +/-1% from the theoretical discharge. Experiments with two typical weirs show excellent agreement with the theory by giving a constant-average coefficient of discharge of 0.619

A thermodynamic criterion for selection of gas compositions for diamond deposition

Isoactivity lines for carbon with respect to diamond as the standard state have been calculated in the ternary system C-H-O at 1223 K to identify the diamond deposition domain. The gas composition is calculated by suppressing the formation of all condensed forms of carbon using the SOLGASMIX free-energy minimization program. Thirty six gas species were included in the calculation. From the gas composition, isoactivity lines are computed using recent data on the Gibbs energy of diamond. Except for activities less than 0.1, the isoactivity lines are almost linear on the C-H-O ternary diagram. Gas compositions which generate activity of diamond ranging from 1 to 100 at 1223 K fall inside a narrow wedge originating from the point representing CO. This wedge is very similar to the revised lens-shaped diamond growth domain identified by Bachman et al., using inputs from experiment. The small difference between the calculated and observed domains may be attributed to variation in the supersaturation required for diamond deposition with gas composition. The diamond solubility in the gas phase along the isoactivity line for a(di)=100 and P=6.7 kPa exhibits a minimum at 1280 K, which is close to the optimum temperature found experimentally. At higher supersaturations, non-diamond forms of carbon, including amorphous varieties, are expected. The results suggest that thermodynamic calculations can be useful for locating diamond growth domains in more complex CVD systems containing halogens, for which very little experimental data is available.

Effect of thermal annealing on the dielectric properties of KTiOPO4 single crystals

Dielectric properties of potassium titanyl phosphate have been investigated as a function of thickness and frequency, as well as annealing treatment under various atmospheres. The low frequency dielectric constant of KTP crystals is shown to depend upon the sample thickness, and this feature is attributed to the existence of surface layers. The frequency-dependent dielectric response of KTP exhibits a non-Debye type relaxation, with a distribution of relaxation times. The dielectric behavior of KTP samples annealed in various atmospheres shows that the low frequency dielectric constant is influenced by the contribution from the space charge layers. Prolonged annealing of the samples leads to a surface degradation, resulting in the formation of a surface layer of lower dielectric constant. This surface degradation is least when annealed in the presence of dry oxygen. From the analysis of the dielectric data using complex electric modulus, alpha(m) has been evaluated for the virgin and annealed samples. (C) 1996 American Institute of Physics.

Effect of Constant and Cyclic Current Stressing on the Evolution of Intermetallic Compound Layers

In this paper the effects of constant and cyclic power loads on the evolution of interfacial reaction layers in lead-free solder interconnections are presented. Firstly, the differences in the growth behavior of intermetallic compound (IMC) layers at the cathode and anode sides of the interconnections are rationalized. This is done by considering the changes in the intrinsic fluxes of elements owing to electromigration as well as taking into account the fact that the growth of Cu3Sn and Cu6Sn5 are coupled via interfacial reactions. In this way, better understanding of the effect of electron flux on the growth of each individual layer in the Cu-Sn system can be achieved. Secondly, it is shown that there is a distinct difference between steady-state current stressing (constant current, constant temperature) and power cycling with alternating on- and off-cycle periods (accompanied by a change of temperature). The reasons behind the observed differences are subsequently discussed. Finally, special care is taken to ensure that the current densities are chosen in such a way that there is no risk for even partial melting of the solder interconnections.

Prediction of reaeration rates in square, stirred tanks

Experiments were conducted on the oxygen transfer coefficient, k(L)a(20), through surface aeration in geometrically similar square tanks, with a rotor of diameter D fitted with six flat blades. An optimal geometric similarity of various linear dimensions, which produced maximum k(L)a(20) for any rotational speed of rotor N by an earlier study, was maintained. A simulation equation uniquely correlating k = k(L)a(20)(nu/g(2))(1/3) (nu and g are kinematic viscosity of water and gravitational constant, respectively), and a parameter governing the theoretical power per unit volume, X = (ND2)-D-3/(g(4/3)nu(1/3)), is developed. Such a simulation equation can be used to predict maximum k for any N in any size of such geometrically similar square tanks. An example illustrating the application of results is presented. Also, it has been established that neither the Reynolds criterion nor the Froude criterion is singularly valid to simulate either k or K = k(L)a(20)/N, simultaneously in all the sizes of tanks, even through they are geometrically similar. Occurrence of "scale effects" due to the Reynolds and the Froude laws of similitude on both k and K are also evaluated.

Rotating anisotropic disc of uniform strength

A procedure to design a constant thickness composite disc of uniform strength by radially tailoring the anisotropic elastic constants is proposed. A special case of an isotropic disc with radially varying modulus is also examined. Analytical results are also compared with FEM calculations for two cases of radially varying anisotropy and for an isotropic disc with variable modulus. (C) 1999 Elsevier Science Ltd. All rights reserved.

A current error space vector based hysteresis controller with constant switching frequency and simple online boundary computation for VSI fed IM drive

This paper proposes a simple current error space vector based hysteresis controller for two-level inverter fed Induction Motor (IM) drives. This proposed hysteresis controller retains all advantages of conventional current error space vector based hysteresis controllers like fast dynamic response, simple to implement, adjacent voltage vector switching etc. The additional advantage of this proposed hysteresis controller is that it gives a phase voltage frequency spectrum exactly similar to that of a constant switching frequency space vector pulse width modulated (SVPWM) inverter. In this proposed hysteresis controller the boundary is computed online using estimated stator voltages along alpha and beta axes thus completely eliminating look up tables used for obtaining parabolic hysteresis boundary proposed in. The estimation of stator voltage is carried out using current errors along alpha and beta axes and steady state model of induction motor. The proposed scheme is simple and capable of taking inverter upto six step mode operation, if demanded by drive system. The proposed hysteresis controller based inverter fed drive scheme is simulated extensively using SIMULINK toolbox of MATLAB for steady state and transient performance. The experimental verification for steady state performance of the proposed scheme is carried out on a 3.7kW IM.