Metallacarboranes: Toward Promising Hydrogen Storage Metal Organic Frameworks

Using first principles calculations, we show the high hydrogen storage capacity of metallacarboranes, where the transition metal (TM) atoms can bind up to 5 H-2-molecules. The average binding energy of similar to 0.3 eV/H favorably lies within the reversible adsorption range. Among the first row TM atoms, Sc and Ti are found to be the optimum in maximizing the H-2 storage (similar to 8 wt %) on the metallacarborane cluster. Being an integral part of the cage, TMs do not suffer from the aggregation problem, which has been the biggest hurdle for the success of TM-decorated graphitic materials for hydrogen storage. Furthermore, the presence of carbon atom in the cages permits linking the metallacarboranes to form metal organic frameworks, which are thus able to adsorb hydrogen via Kubas interaction, in addition to van der Waals physisorption.

Cooling of a composite slab in a two-fluid medium

A mixed boundary value problem associated with the diffusion equation that involves the physical problem of cooling of an infinite parallel-sided composite slab in a two-fluid medium, is solved completely by using the Wiener-Hopf technique. An analytical solution is derived for the temperature distribution at the quench fronts being created by two different layers of cold fluids having different cooling abilities moving on the upper surface of the slab at constant speedv. Simple expressions are derived for the values of the sputtering temperatures of the slab at the points of contact with the respective layers, assuming the front layer of the fluid to be of finite width and the back layer of infinite extent. The main problem is solved through a three-part Wiener-Hopf problem of a special type and the numerical results under certain special circumstances are obtained and presented in the form of a table.

Effect of process variables on die-billet temperature history in a slow speed hot coining type process

A computer code is developed as a part of an ongoing project on computer aided process modelling of forging operation, to simulate heat transfer in a die-billet system. The code developed on a stage-by-stage technique is based on an Alternating Direction Implicit scheme. The experimentally validated code is used to study the effect of process specifics such as preheat die temperature, machine ascent time, rate of deformation, and dwell time on the thermal characteristics in a batch coining operation where deformation is restricted to surface level only.

Infinite dimensional slow modulations in a well known delayed model for cutting tool vibrations

We apply the method of multiple scales (MMS) to a well-known model of regenerative cutting vibrations in the large delay regime. By ``large'' we mean the delay is much larger than the timescale of typical cutting tool oscillations. The MMS up to second order, recently developed for such systems, is applied here to study tool dynamics in the large delay regime. The second order analysis is found to be much more accurate than the first order analysis. Numerical integration of the MMS slow flow is much faster than for the original equation, yet shows excellent accuracy in that plotted solutions of moderate amplitudes are visually near-indistinguishable. The advantages of the present analysis are that infinite dimensional dynamics is retained in the slow flow, while the more usual center manifold reduction gives a planar phase space; lower-dimensional dynamical features, such as Hopf bifurcations and families of periodic solutions, are also captured by the MMS; the strong sensitivity of the slow modulation dynamics to small changes in parameter values, peculiar to such systems with large delays, is seen clearly; and though certain parameters are treated as small (or, reciprocally, large), the analysis is not restricted to infinitesimal distances from the Hopf bifurcation.

Sonochemical synthesis of Ce1-xFexO2-delta (0 <= x <= 0.45) and Ce0.65Fe0.33Pd0.02O2-delta nanocrystallites: oxygen storage material, CO oxidation and water gas shift catalyst

Nanocrystalline Ce1-xFexO2-delta (0 <= x <= 0.45) and Ce0.65Fe0.33Pd0.02O2-delta of similar to 4 nm sizes were synthesized by a sonochemical method using diethyletriamine (DETA) as a complexing agent. Compounds were characterized by powder X-ray diffraction (XRD), X-ray photo-electron spectroscopy (XPS) and transmission electron microscopy (TEM). Ce1-xFexO2-delta (0 <= x <= 0.45) and Ce0.65Fe0.33Pd0.02O2-delta crystallize in fluorite structure where Fe is in +3, Ce is in +4 and Pd is in +2 oxidation state. Due to substitution of smaller Fe3+ ion in CeO2, lattice oxygen is activated and 33% Fe substituted CeO2 i.e. Ce0.67Fe0.33O1.835 reversibly releases 0.31O] up to 600 degrees C which is higher or comparable to the oxygen storage capacity of CeO2-ZrO2 based solid solutions (Catal. Today 2002, 74, 225-234). Due to interaction of redox potentials of Pd2+/0(0.89 V) and Fe3+/2+ (0.77 V) with Ce4+/3+ (1.61 V), Pd ion accelerates the electron transfer from Fe2+ to Ce4+ in Ce0.65Fe0.33Pd0.02O1.815, making it a high oxygen storage material as well as a highly active catalyst for CO oxidation and water gas shift reaction. The activation energy for CO oxidation with Ce0.65Fe0.33Pd0.02O1.815 is found to be as low as 38 kJ mol(-1). Ce0.67Fe0.33O1.835 and Ce0.65Fe0.33Pd0.02O1.815 have also shown high activity for the water gas shift reaction. CO conversion to CO2 is 100% H-2 specific with these catalysts and conversion rate was found to be as high 27.2 mu moles g(-1) s(-1) and the activation energy was found to be 46.4 kJ mol(-1) for Ce0.65Fe0.33Pd0.02O1.815.

Room-temperature synthesis of gold nanoparticles - Size-control by slow addition

We report a simple and rapid process for the room-temperature synthesis of gold nanoparticles using tannic acid, a green reagent, as both the reducing and stabilising agent. We systematically investigated the effect of pH on the size distribution of nanoparticles synthesized. Based on induction time and zeta- potential measurements, we show that particle size distribution is controlled by a fine balance between the rates of reduction (determined by the initial pH of reactants) and coalescence (determined by the pH of the reaction mixture) in the initial period of growth. This insight led to the optimal batch process for size-controlled synthesis of 2-10 nm gold nanoparticles - slow addition (within 10 minutes) of chloroauric acid into tannic acid.

Analysis of conjugate laminar mixed convection cooling in a shrouded array of electronic components

The temperature variation in the insulation around an electronic component, mounted on a horizontal circuit board is studied numerically. The flow is assumed to be laminar and fully developed. The effect of mixed convection and two different types of insulation are considered. The mass, momentum and energy conservation equations in the fluid and conduction equation in the insulation are solved using the SIMPLER algorithm. Computations are carried out for liquid Freon and water, for different conductivity ratios, and different Rayleigh numbers. It is demonstrated that the temperature variation within the insulation becomes important when the thermal conductivity of the insulation is less than ten times the thermal conductivity of the cooling medium.

Cooling of an infinite slab in a two-fluid medium

A mixed boundary-valued problem associated with the diffusion equation, that involves the physical problem of cooling of an infinite slab in a two-fluid medium, is solved completely by using the Wiener-Hopf technique. An analytical solution is derived for the temperature distribution at the quench fronts being created by two different layers of cold fluids having different cooling abilities moving on the upper surface of the slab at constant speed. Simple expressions are derived for the values of the sputtering temperatures of the slab at the points of contact with the respective layers, assuming one layer of the fluid to be of finite extent and the other of infinite extent. The main problem is solved through a three-part Wiener - Hopf problem of a special type, and the numerical results under certain special circumstances are obtained and presented in the form of a table.

Laser patterning system for integrated optics and storage applications

A computer-controlled laser writing system for optical integrated circuits and data storage is described. The system is characterized by holographic (649F) and high-resolution plates. A minimum linewidth of 2.5 mum is obtained by controlling the system parameters. We show that this system can also be used for data storage applications.

Specific-heat measurements during cooling through the glass-transition region

In this paper we report the measurements of specific heats of five glass formers as they are cooled through the glass-transition region. The measurements are compared with other specific-heat measurements such as adiabatic-calorimetry and ac-calorimetry measurements. The data are then analyzed using a model of enthalpy relaxation and nonequilibrium cooling, which can track the nonequilibrium relaxation time tau(S). The relevant parameters that describe tau(S) are obtained, allowing us to compare the enthalpy-relaxation times obtained from this method with other methods. We display the clear connection of the unrelaxed enthalpy with the nonequilibrium relaxation time and also show the role played by the delayed heat release from the unrelaxed enthalpy in the glass-transition region. We have also made certain definite observations regarding the equilibrium configurational specific heat and the Vogel-Fulcher law, which describes tau(S).

A simple equivalent circuit analysis of rectangular folded-waveguide slow-wave structure

A simple yet accurate equivalent circuit model was developed for the analysis of slow-wave properties (dispersion and interaction impedance characteristics) of a rectangular folded-waveguide slow-wave structure. Present formulation includes the effects of the presence of beam-hole in the circuit, which were ignored in existing approaches. The analysis was benchmarked against measurement as well as with 3D electromagnetic modeling using MAFIA for two typical slow-wave structures operating in Ka- and Q-bands, and close agreements were observed. The analysis was extended for demonstrating the effect of the variation of beam-hole radius on the RF interaction efficiency of the device. (C) 2009 Elsevier GmbH. All rights reserved.

Hydrogen Storage Capacity of Carbon-Foams: Grand Canonical Monte Carlo Simulations

Hydrogen storage in the three-dimensional carbon foams is analyzed using classical grand canonical Monte Carlo simulations. The calculated storage capacities of the foams meet the material-based DOE targets and are comparable to the capacities of a bundle of well-separated similar diameter open nanotubes. The pore sizes in the foams are optimized for the best hydrogen uptake. The capacity depends sensitively on the C-H-2 interaction potential, and therefore, the results are presented for its ``weak'' and ``strong'' choices, to offer the lower and upper bounds for the expected capacities. Furthermore, quantum effects on the effective C-H-2 as well as H-2-H-2 interaction potentials are considered. We find that the quantum effects noticeably change the adsorption properties of foams and must be accounted for even at room temperature.

Analysis of serpentine folded-waveguide slow-wave structure using elliptical conformal transformation

Elliptical conformal transformation was used to derive closed form expressions for the equivalent circuit series inductance and shunt capacitance per period of a serpentine folded-waveguide slow-wave structure including the effects of the beam-hole. The lumped parameters were subsequently interpreted for the dispersion and interaction impedance characteristics of the structure. The analysis was benchmarked for two typical millimeter-wave structures operating in Ka- and W-bands, against measurement, 3D electromagnetic modeling using CST Microwave Studio, parametric analysis and equivalent circuit analysis. (C) 2010 Elsevier GmbH. All rights reserved.

A note on the slow rotation of a disc in a bounded fluid with a surfactant surface layer

A method involving eigenfunction expansion and collocation is employed to solve the axisymmetric problem of a slowly and steadily rotating circular disc in a fluid of finite extent whose surface is covered with a surfactant film. The present method (originally described by Wang (Acta Mech. 94, 97, 1992)) is observed to produce results of practical importance associated with the problem more quickly and more easily than the one used earlier by Shail and Gooden (Int. J. Multiphase Flow 7, 245, 1992). (C) 1994 Academic Press, Inc.

Explicit and Optimal Exact-Regenerating Codes for the Minimum-Bandwidth Point in Distributed Storage

In the distributed storage setting that we consider, data is stored across n nodes in the network such that the data can be recovered by connecting to any subset of k nodes. Additionally, one can repair a failed node by connecting to any d nodes while downloading beta units of data from each. Dimakis et al. show that the repair bandwidth d beta can be considerably reduced if each node stores slightly more than the minimum required and characterize the tradeoff between the amount of storage per node and the repair bandwidth. In the exact regeneration variation, unlike the functional regeneration, the replacement for a failed node is required to store data identical to that in the failed node. This greatly reduces the complexity of system maintenance. The main result of this paper is an explicit construction of codes for all values of the system parameters at one of the two most important and extreme points of the tradeoff - the Minimum Bandwidth Regenerating point, which performs optimal exact regeneration of any failed node. A second result is a non-existence proof showing that with one possible exception, no other point on the tradeoff can be achieved for exact regeneration.