Liquid-drop model for the surface energy of nanoparticles

Based on the liquid-drop model, we have evaluated the Tolman length and surface energy of nanoparticles for different elements and compared with other theoretical models as well as the available simulated data. The predictions of the model show good agreement with the simulated results. Like the cohesive energy and melting temperature, the size-dependency of surface energy is also shape-dependent. (c) 2012 Elsevier B.V. All rights reserved.

Carrier concentration dependence of donor activation energy in n-type GaN epilayers grown on Si (111) by plasma-assisted MBE

The n-type GaN layers were grown by plasma-assisted MBE and either intentionally doped with Si or unintentionally doped. The optical characteristics of a donor level in Si-doped, GaN were studied in terms of photoluminescence (PL) spectroscopy as a function of electron concentration. Temperature dependent PL measurements allowed us to estimate the activation energy of a Si-related donor from temperature-induced decay of PL intensity. PL peak positions, full width at half maximum of PL and activation energies are found to be proportional to the cube root of carrier density. The involvement of donor levels is supported by the temperature-dependent electron concentration measurements. (C) 2012 Elsevier Ltd. All rights reserved.

Criticality guided energy aware speculation for speculative multithreaded processors

Unending quest for performance improvement coupled with the advancements in integrated circuit technology have led to the development of new architectural paradigm. Speculative multithreaded architecture (SpMT) philosophy relies on aggressive speculative execution for improved performance. However, aggressive speculative execution comes with a mixed flavor of improving performance, when successful, and adversely affecting the energy consumption (and performance) because of useless computation in the event of mis-speculation. Dynamic instruction criticality information can be usefully applied to control and guide such an aggressive speculative execution. In this paper, we present a model of micro-execution for SpMT architecture that we have developed to determine the dynamic instruction criticality. We have also developed two novel techniques utilizing the criticality information namely delaying the non-critical loads and the criticality based thread-prediction for reducing useless computations and energy consumption. Experimental results showing break-up of critical instructions and effectiveness of proposed techniques in reducing energy consumption are presented in the context of multiscalar processor that implements SpMT architecture. Our experiments show 17.7% and 11.6% reduction in dynamic energy for criticality based thread prediction and criticality based delayed load scheme respectively while the improvement in dynamic energy delay product is 13.9% and 5.5%, respectively. (c) 2012 Published by Elsevier B.V.

Rural electrification: Optimising the choice between decentralised renewable energy sources and grid extension

The study presents an analysis aimed at choosing between off-grid solar photovoltaic, biomass gasifier based power generation and conventional grid extension for remote village electrification. The model provides a relation between renewable energy systems and the economical distance limit (EDL) from the existing grid point, based on life cycle cost (LCC) analysis, where the LCC of energy for renewable energy systems and grid extension will match. The LCC of energy feed to the village is arrived at by considering grid availability and operating hours of the renewable energy systems. The EDL for the biomass gasifier system of 25 kW capacities is 10.5 km with 6 h of daily operation and grid availability. However, the EDL for a similar 25 kW capacity photovoltaic system is 35 km for the same number of hours of operation and grid availability. The analysis shows that for villages having low load demand situated far away from the existing grid line, biomass gasification based systems are more cost competitive than photovoltaic systems or even compared to grid extension. (C) 2012 Elsevier Inc. All rights reserved.

Compiler-assisted energy optimization for clustered VLIW processors

Clustered architecture processors are preferred for embedded systems because centralized register file architectures scale poorly in terms of clock rate, chip area, and power consumption. Although clustering helps by improving the clock speed, reducing the energy consumption of the logic, and making the design simpler, it introduces extra overheads by way of inter-cluster communication. This communication happens over long global wires having high load capacitance which leads to delay in execution and significantly high energy consumption. Inter-cluster communication also introduces many short idle cycles, thereby significantly increasing the overall leakage energy consumption in the functional units. The trend towards miniaturization of devices (and associated reduction in threshold voltage) makes energy consumption in interconnects and functional units even worse, and limits the usability of clustered architectures in smaller technologies. However, technological advancements now permit the design of interconnects and functional units with varying performance and power modes. In this paper, we propose scheduling algorithms that aggregate the scheduling slack of instructions and communication slack of data values to exploit the low-power modes of functional units and interconnects. Finally, we present a synergistic combination of these algorithms that simultaneously saves energy in functional units and interconnects to improves the usability of clustered architectures by achieving better overall energy-performance trade-offs. Even with conservative estimates of the contribution of the functional units and interconnects to the overall processor energy consumption, the proposed combined scheme obtains on average 8% and 10% improvement in overall energy-delay product with 3.5% and 2% performance degradation for a 2-clustered and a 4-clustered machine, respectively. We present a detailed experimental evaluation of the proposed schemes. Our test bed uses the Trimaran compiler infrastructure. (C) 2012 Elsevier Inc. All rights reserved.

Insights into the Fold Organization of TIM Barrel from Interaction Energy Based Structure Networks

There are many well-known examples of proteins with low sequence similarity, adopting the same structural fold. This aspect of sequence-structure relationship has been extensively studied both experimentally and theoretically, however with limited success. Most of the studies consider remote homology or ``sequence conservation'' as the basis for their understanding. Recently ``interaction energy'' based network formalism (Protein Energy Networks (PENs)) was developed to understand the determinants of protein structures. In this paper we have used these PENs to investigate the common non-covalent interactions and their collective features which stabilize the TIM barrel fold. We have also developed a method of aligning PENs in order to understand the spatial conservation of interactions in the fold. We have identified key common interactions responsible for the conservation of the TIM fold, despite high sequence dissimilarity. For instance, the central beta barrel of the TIM fold is stabilized by long-range high energy electrostatic interactions and low-energy contiguous vdW interactions in certain families. The other interfaces like the helix-sheet or the helix-helix seem to be devoid of any high energy conserved interactions. Conserved interactions in the loop regions around the catalytic site of the TIM fold have also been identified, pointing out their significance in both structural and functional evolution. Based on these investigations, we have developed a novel network based phylogenetic analysis for remote homologues, which can perform better than sequence based phylogeny. Such an analysis is more meaningful from both structural and functional evolutionary perspective. We believe that the information obtained through the ``interaction conservation'' viewpoint and the subsequently developed method of structure network alignment, can shed new light in the fields of fold organization and de novo computational protein design.

Characterization of structural and free energy properties of promoters associated with Primary and Operon TSS in Helicobacter pylori genome and their orthologs

Promoter regions in the genomes of all domains of life show similar trends in several structural properties such as stability, bendability, curvature, etc. In current study we analysed the stability and bendability of various classes of promoter regions (based on the recent identification of different classes of transcription start sites) of Helicobacter pylori 26695 strain. It is found that primary TSS and operon-associated TSS promoters show significantly strong features in their promoter regions. DNA free-energy-based promoter prediction tool PromPredict was used to annotate promoters of different classes, and very high recall values (similar to 80%) are obtained for primary TSS. Orthologous genes from other strains of H. pylori show conservation of structural properties in promoter regions as well as coding regions. PromPredict annotates promoters of orthologous genes with very high recall and precision.

Gibbs Energy of Formation of Ca3Ti8Al12O37 and Phase Relations and Chemical Potentials in the System Al2O3-TiO2-CaO

The quaternary oxide in the system Al2O3-CaO-TiO2 is found to have the composition Ca3Ti8Al12O37 rather than CaTi3Al8O19 as reported in the literature. The standard Gibbs energy of formation of Ca3Ti8Al12O37 from component binary oxides is measured in the temperature range from 900 to 1250 K using a solid-state electrochemical cell incorporating single crystal CaF2 as the solid electrolyte. The results can be represented by the equation: delta G(f(0x))(0) (+/- 70)/J mol(-1) = -248474 - 15.706(T/K). Combining this information with thermodynamic data on calcium aluminates and titanates available in the literature, subsolidus phase relations in the pseudo-ternary system Al2O3-CaO-TiO2 are computed and presented as isothermal sections. The evolution of phase relations with temperature is highlighted. Chemical potential diagrams are computed at 1200 K, showing the stability domains of the various phases in the chemical potential-composition space. In each chemical potential diagram, chemical potential of one component is plotted against the cationic fraction of the other two components. The diagrams are valid at relatively high oxygen potentials where Ti is present in its four-valent state in all the oxide phases.

Automatic energy-momentum conserving time integrators for hyperelastic waves

An energy-momentum conserving time integrator coupled with an automatic finite element algorithm is developed to study longitudinal wave propagation in hyperelastic layers. The Murnaghan strain energy function is used to model material nonlinearity and full geometric nonlinearity is considered. An automatic assembly algorithm using algorithmic differentiation is developed within a discrete Hamiltonian framework to directly formulate the finite element matrices without recourse to an explicit derivation of their algebraic form or the governing equations. The algorithm is illustrated with applications to longitudinal wave propagation in a thin hyperelastic layer modeled with a two-mode kinematic model. Solution obtained using a standard nonlinear finite element model with Newmark time stepping is provided for comparison. (C) 2012 Elsevier B.V. All rights reserved.

Is land really a constraint for the utilization of solar energy in India?

This article compares the land use in solar energy technologies with conventional energy sources. This has been done by introducing two parameters called land transformation and land occupation. It has been shown that the land area transformed by solar energy power generation is small compared to hydroelectric power generation, and is comparable with coal and nuclear energy power generation when life-cycle transformations are considered. We estimate that 0.97% of total land area or 3.1% of the total uncultivable land area of India would be required to generate 3400 TWh/yr from solar energy power systems in conjunction with other renewable energy sources.

Bond Graph Modeling for Energy-Harvesting Wireless Sensor Networks

Researchers can use bond graph modeling, a tool that takes into account the energy conservation principle, to accurately assess the dynamic behavior of wireless sensor networks on a continuous basis.

Energy-dependent orbital modulation of X-rays and constraints on emission of the jet in Cyg X-3

We study the orbital modulation of X-rays from Cyg X-3, using data from Swift, INTEGRAL and RXTE. Using the wealth of data presently available and an improved averaging method, we obtain energy-dependent folded and averaged light curves with unprecedented accuracy. We find that above similar to 5?keV the modulation depth decreases with increasing energy, which is consistent with the modulation being caused by both boundfree absorption and Compton scattering in the stellar wind of the donor, with minima corresponding to the highest optical depth, which occurs around the superior conjunction. We find a decrease of the depth below similar to 3?keV, which appears to be due to re-emission of the absorbed continuum by the wind in soft X-ray lines. Based on the shape of the folded light curves, any X-ray contribution from the jet in Cyg X-3, which emits ?-rays detected at energies >0.1?GeV in the soft spectral states, is found to be minor up to similar to 100?keV. This implies the presence of a rather sharp low-energy break in the jet MeV-range spectrum. We also calculate phase-resolved RXTE X-ray spectra and show that the difference between the spectra corresponding to phases around superior and inferior conjunctions can indeed be accounted for by the combined effect of boundfree absorption in an ionized medium and Compton scattering.

Highly luminescent and thermally stable lanthanide coordination polymers designed from 4-(dipyridin-2-yl)aminobenzoate: efficient energy transfer from Tb3+ to Eu3+ in a mixed lanthanide coordination compound

Herein, a new aromatic carboxylate ligand, namely, 4-(dipyridin-2-yl)aminobenzoic acid (HL), has been designed and employed for the construction of a series of lanthanide complexes (Eu3+ = 1, Tb3+ = 2, and Gd3+ = 3). Complexes of 1 and 2 were structurally authenticated by single-crystal X-ray diffraction and were found to exist as infinite 1D coordination polymers with the general formulas {Eu(L)(3)(H2O)(2)]}(n) (1) and {Tb(L)(3)(H2O)]center dot(H2O)}(n) (2). Both compounds crystallize in monoclinic space group C2/c. The photophysical properties demonstrated that the developed 4-(dipyridin-2-yl)aminobenzoate ligand is well suited for the sensitization of Tb3+ emission (Phi(overall) = 64%) thanks to the favorable position of the triplet state ((3)pi pi*) of the ligand the energy difference between the triplet state of the ligand and the excited state of Tb3+ (Delta E) = (3)pi pi* - D-5(4) = 3197 cm(-1)], as investigated in the Gd3+ complex. On the other hand, the corresponding Eu3+ complex shows weak luminescence efficiency (Phi(overall) = 7%) due to poor matching of the triplet state of the ligand with that of the emissive excited states of the metal ion (Delta E = (3)pi pi* - D-5(0) = 6447 cm(-1)). Furthermore, in the present work, a mixed lanthanide system featuring Eu3+ and Tb3+ ions with the general formula {Eu0.5Tb0.5(L)(3)(H2O)(2)]}(n) (4) was also synthesized, and the luminescent properties were evaluated and compared with those of the analogous single-lanthanide-ion systems (1 and 2). The lifetime measurements for 4 strongly support the premise that efficient energy transfer occurs between Tb3+ and Eu3+ in a mixed lanthanide system (eta = 86%).

Presence of dark energy and dark matter: does cosmic acceleration signifies a weak gravitational collapse?

In this work the collapsing process of a spherically symmetric star, made of dust cloud, in the background of dark energy is studied for two different gravity theories separately, i.e., DGP Brane gravity and Loop Quantum gravity. Two types of dark energy fluids, namely, Modified Chaplygin gas and Generalised Cosmic Chaplygin gas are considered for each model. Graphs are drawn to characterize the nature and the probable outcome of gravitational collapse. A comparative study is done between the collapsing process in the two different gravity theories. It is found that in case of dark matter, there is a great possibility of collapse and consequent formation of Black hole. In case of dark energy possibility of collapse is far lesser compared to the other cases, due to the large negative pressure of dark energy component. There is an increase in mass of the cloud in case of dark matter collapse due to matter accumulation. The mass decreases considerably in case of dark energy due to dark energy accretion on the cloud. In case of collapse with a combination of dark energy and dark matter, it is found that in the absence of interaction there is a far better possibility of formation of black hole in DGP brane model compared to Loop quantum cosmology model.

System Ho-Rh-O: Phase Equilibria, Chemical Potentials and Gibbs Energy of Formation of HoRhO3

The thermodynamic properties of the HoRhO3 were determined in the temperature range from 900 to 1300 K by using a solid-state electrochemical cell incorporating calcia-stabilized zirconia as the electrolyte. The standard Gibbs free energy of formation of orthorhombic perovskite HoRhO3, from Ho2O3 with C-rare earth structure and Rh2O3 with orthorhombic structure, can be expressed by the equation; Delta G(f)degrees((ox)) (+/- 78)/(J/mol) = -50535 + 3.85(T/K) Using the thermodynamic data of HoRhO3 and auxiliary data for binary oxides from the literature, the phase relations in the Ho-Rh-O system were computed at 1273 K. Thermodynamic data for intermetallic phases in the binary Ho-Rh were estimated from experimental enthalpy of formation for three compositions from the literature and Miedema's model, consistent with the phase diagram. The oxygen potential-composition diagram and three-dimensional chemical potential diagram at 1273 K, and temperature-composition diagrams at constant oxygen partial pressures were computed for the system Ho-Rh-O. The decomposition temperature of HoRhO3 is 1717(+/- 2) K in pure O-2 and 1610(+/- 2) K in air at a total pressure p(o) = 0.1 MPa.