Ab initio diffusional potential energy surface for CO chemisorption on Pd{110} at high coverage:Coupled translation and rotation

The ground state potential energy surface for CO chemisorption across Pd{110} has been calculated using density functional theory with gradient corrections at monolayer coverage. The most stable site corresponds well with the experimental adsorption heat, and it is found that the strength of binding to sites is in the following order: pseudo-short-bridge>atop>long-bridge>hollow. Pathways and transition states for CO surface diffusion, involving a correlation between translation and orientation, are proposed and discussed. (C) 1997 American Institute of Physics.

Energy-Efficient In-Memory Data Stores on Hybrid Memory Hierarchies

Increasingly large amounts of data are stored in main memory of data center servers. However, DRAM-based memory is an important consumer of energy and is unlikely to scale in the future. Various byte-addressable non-volatile memory (NVM) technologies promise high density and near-zero static energy, however they suffer from increased latency and increased dynamic energy consumption.

This paper proposes to leverage a hybrid memory architecture, consisting of both DRAM and NVM, by novel, application-level data management policies that decide to place data on DRAM vs. NVM. We analyze modern column-oriented and key-value data stores and demonstrate the feasibility of application-level data management. Cycle-accurate simulation confirms that our methodology reduces the energy with least performance degradation as compared to the current state-of-the-art hardware or OS approaches. Moreover, we utilize our techniques to apportion DRAM and NVM memory sizes for these workloads.

Topographical optimisation of single-storey non-domestic steel framed buildings using photovoltaic panels for net-zero carbon impact

A methodology is presented that combines a multi-objective evolutionary algorithm and artificial neural networks to optimise single-storey steel commercial buildings for net-zero carbon impact. Both symmetric and asymmetric geometries are considered in conjunction with regulated, unregulated and embodied carbon. Offsetting is achieved through photovoltaic (PV) panels integrated into the roof. Asymmetric geometries can increase the south facing surface area and consequently allow for improved PV energy production. An exemplar carbon and energy breakdown of a retail unit located in Belfast UK with a south facing PV roof is considered. It was found in most cases that regulated energy offsetting can be achieved with symmetric geometries. However, asymmetric geometries were necessary to account for the unregulated and embodied carbon. For buildings where the volume is large due to high eaves, carbon offsetting became increasingly more difficult, and not possible in certain cases. The use of asymmetric geometries was found to allow for lower embodied energy structures with similar carbon performance to symmetrical structures.

Topographical optimisation of single-storey non-domestic steel framed buildings using photovoltaic panels for zero carbon impact

The optimisation is based on a combination of neural networks and evolutionary algorithm. It has selected buildings with different midpoint configurations with zero carbon impacts. With operational energy included the structures could be offset with asymmetry.

A Reliability Assessment Approach for the Urban Energy System and Its Application in Energy Hub Planning

With the increasing utilization of combined heat and power plants (CHP), electrical, gas, and thermal systems are becoming tightly integrated in the urban energy system (UES). However, the three systems are usually planned and operated separately, ignoring their interactions and coordination. To address this issue, the coupling point of different systems in the UES is described by the energy hub model. With this model, an integrated load curtailment method is proposed for the UES. Then a Monte Carlo simulation based approach is developed to assess the reliability of coordinated energy supply systems. Based on this approach, a reliability-optimal energy hub planning method is proposed to accommodate higher renewable energy penetration. Numerical studies indicate that the proposed approach is able to quantify the UES reliability with different structures. Also, optimal energy hub planning scheme can be determined to ensure the reliability of the UES with high renewable penetration.

Spitzer infrared spectrograph point source classification in the Small Magellanic Cloud

The Magellanic Clouds are uniquely placed to study the stellar contribution to dust emission. Individual stars can be resolved in these systems even in the mid-infrared, and they are close enough to allow detection of infrared excess caused by dust. We have searched the Spitzer Space Telescope data archive for all Infrared Spectrograph (IRS) staring-mode observations of the Small Magellanic Cloud (SMC) and found that 209 Infrared Array Camera (IRAC) point sources within the footprint of the Surveying the Agents of Galaxy Evolution in the Small Magellanic Cloud (SAGE-SMC) Spitzer Legacy programme were targeted, within a total of 311 staring-mode observations. We classify these point sources using a decision tree method of object classification, based on infrared spectral features, continuum and spectral energy distribution shape, bolometric luminosity, cluster membership and variability information. We find 58 asymptotic giant branch (AGB) stars, 51 young stellar objects, 4 post-AGB objects, 22 red supergiants, 27 stars (of which 23 are dusty OB stars), 24 planetary nebulae (PNe), 10 Wolf-Rayet stars, 3 H II regions, 3 R Coronae Borealis stars, 1 Blue Supergiant and 6 other objects, including 2 foreground AGB stars. We use these classifications to evaluate the success of photometric classification methods reported in the literature.

Solid-liquid interfacial free energy out of equilibrium

The properties of the interface between solid and melt are key to solidification and melting, as the interfacial free energy introduces a kinetic barrier to phase transitions. This makes solidification happen below the melting temperature, in out-of-equilibrium conditions at which the interfacial free energy is ill defined. Here we draw a connection between the atomistic description of a diffuse solid-liquid interface and its thermodynamic characterization. This framework resolves the ambiguities in defining the solid-liquid interfacial free energy above and below the melting temperature. In addition, we introduce a simulation protocol that allows solid-liquid interfaces to be reversibly created and destroyed at conditions relevant for experiments. We directly evaluate the value of the interfacial free energy away from the melting point for a simple but realistic atomic potential, and find a more complex temperature dependence than the constant positive slope that has been generally assumed based on phenomenological considerations and that has been used to interpret experiments. This methodology could be easily extended to the study of other phase transitions, from condensation to precipitation. Our analysis can help reconcile the textbook picture of classical nucleation theory with the growing body of atomistic studies and mesoscale models of solidification.

SN 2011fu: a type IIb supernova with a luminous double-peaked light curve

We present optical and near-infrared observations of the type IIb supernova (SN) 2011fu from a few days to similar to 300 d after explosion. The SN presents a double-peaked light curve (LC) similar to that of SN 1993J, although more luminous and with a longer cooling phase after the primary peak. The spectral evolution is also similar to SN 1993J's, with hydrogen dominating the spectra to similar to 40 d, then helium gaining strength, and nebular emission lines appearing from similar to 60 d post-explosion. The velocities derived from the P-Cygni absorptions are overall similar to those of other type IIb SNe. We have found a strong similarity between the oxygen and magnesium line profiles at late times, which suggests that these lines are forming at the same location within the ejecta. The hydrodynamical modelling of the pseudo-bolometric LC and the observed photospheric velocities suggest that SN 2011fu was the explosion of an extended star (R similar to 450 R-circle dot), in which 1.3 x 10(51) erg of kinetic energy were released and 0.15 M-circle dot of Ni-56 were synthesized. In addition, a better reproduction of the observed early pseudo-bolometric LC is achieved if a more massive H-rich envelope than for other type IIb SNe is considered (0.3 M-circle dot). The hydrodynamical modelling of the LC and the comparison of our late-time spectra with nebular spectral models for type IIb SNe, point to a progenitor for SN 2011fu with a Zero Age Main Sequence (ZAMS) mass of 13-18 M-circle dot.

Effective indoor air quality for energy-efficient homes: a comparison of UK rating systems

The use of sustainable assessment methods in the UK is on the rise, anticipating the future regulatory trajectory towards zero carbon by 2016. The indisputable influence of sustainable rating tools on UK building regulations conveys the importance of evaluating their effectiveness in achieving true sustainable design, without adversely effecting human health and wellbeing. This paper reviews indoor air-quality (IAQ) issues addressed by UK sustainable assessment tools, and the potential trade-offs between building energy conservation and IAQ. The barriers to effective adoption of IAQ strategies are investigated, including recommendations, suggestions, and future research needs. The review identified a fundamental lack of IAQ criteria in sustainable assessment tools aimed at the residential sector. The consideration of occupants’ health and well-being should be paramount in any assessment scheme, and should not be overshadowed or obscured by the drive towards energy efficiency. A balance is essential.

Energy efficiency analysis of rank-1 Ricean fading MIMO channels

This paper studies the energy efficiency (EE) of a point-to-point rank-1 Ricean fading multiple-input-multiple-output (MIMO) channel. In particular, a tight lower bound and an asymptotic approximation for the EE of the considered MIMO system are presented, under the assumption that the channel is unknown at the transmitter and perfectly known at the receiver. Moreover, the effects of different system parameters, namely, transmit power, spectral efficiency (SE), and number of transmit and receive antennas, on the EE are analytically investigated. An important observation is that, in the high signal-to-noise ratio regime and with the other system parameters fixed, the optimal transmit power that maximizes the EE increases as the Ricean-K factor increases. On the contrary, the optimal SE and the optimal number of transmit antennas decrease as K increases.

Optimal day-ahead scheduling of integrated urban energy systems

An optimal day-ahead scheduling method (ODSM) for the integrated urban energy system (IUES) is introduced, which considers the reconfigurable capability of an electric distribution network. The hourly topology of a distribution network, a natural gas network, the energy centers including the combined heat and power (CHP) units, different energy conversion devices and demand responsive loads (DRLs), are optimized to minimize the day-ahead operation cost of the IUES. The hourly reconfigurable capability of the electric distribution network utilizing remotely controlled switches (RCSs) is explored and discussed. The operational constraints from the unbalanced three-phase electric distribution network, the natural gas network, and the energy centers are considered. The interactions between the electric distribution network and the natural gas network take place through conversion of energy among different energy vectors in the energy centers. An energy conversion analysis model for the energy center was developed based on the energy hub model. A hybrid optimization method based on genetic algorithm (GA) and a nonlinear interior point method (IPM) is utilized to solve the ODSM model. Numerical studies demonstrate that the proposed ODSM is able to provide the IUES with an effective and economical day-ahead scheduling scheme and reduce the operational cost of the IUES.

High resolution numerical simulation of triple point collision and origin of unburned gas pockets in turbulent detonations

A key issue in pulse detonation engine development is better understanding of the detonation structure and its propagation mechanism. Thus, in the present work the turbulent structure of an irregular detonation is studied through very high resolution numerical simulations of 600 points per half reaction length. The aim is to explore the nature of the transverse waves during the collision and reflection processes of the triple point with the channel walls. Consequently the formation and consumption mechanism of unreacted gas pockets is studied. Results show that the triple point and the transverse wave collide simultaneously with the wall. The strong transverse wave switches from a primary triple point before collision to a new one after reflection. Due to simultaneous interaction of the triple point and the transverse wave with the wall in the second half of the detonation cell, a larger high-pressurised region appears on the wall. During the reflection the reaction zone detaches from the shock front and produces a pocket of unburned gas. Three mechanisms found to be of significance in the re-initiation mechanism of detonation at the end of the detonation cell; i: energy resealed via consumption of unburned pockets by turbulent mixing ii: compression waves arise due to collision of the triple point on the wall which helps the shock to jump abruptly to an overdriven detonation iii: drastic growth of the Richtmyer–Meshkov instability causing a part of the front to accelerate with respect to the neighbouring portions.