Metastable anions of dinitrobenzene: Resonances for electron attachment and kinetic energy release

Attachment of free, low-energy electrons to dinitrobenzene (DNB) in the gas phase leads to DNB as well as several fragment anions. DNB, (DNB-H), (DNB-NO), (DNB-2NO), and (DNB-NO2) are found to undergo metastable (unimolecular) dissociation. A rich pattern of resonances in the yield of these metastable reactions versus electron energy is observed; some resonances are highly isomer-specific. Most metastable reactions are accompanied by large average kinetic energy releases (KER) that range from 0.5 to 1.32 eV, typical of complex rearrangement reactions, but (1,3-DNB-H)(-) features a resonance with a KER of only 0.06 eV for loss of NO. (1,3-DNB-NO)(-) offers a rare example of a sequential metastable reaction, namely, loss of NO followed by loss of CO to yield C5H4O- with a large KER of 1.32 eV. The G4(MP2) method is applied to compute adiabatic electron affinities and reaction energies for several of the observed metastable channels. (C) 2010 American Institute of Physics. [doi:10.1063/1.3514931]

SN 2009md: another faint supernova from a low-mass progenitor

We present adaptive optics imaging of the core-collapse supernova (SN) 2009md, which we use together with archival Hubble Space Telescope data to identify a coincident progenitor candidate. We find the progenitor to have an absolute magnitude of V=-4.63+0.3-0.4 mag and a colour of V-I= 2.29+0.25-0.39 mag, corresponding to a progenitor luminosity of log L/L?similar to 4.54 +/- 0.19 dex. Using the stellar evolution code STARS, we find this to be consistent with a red supergiant progenitor with M= 8.5+6.5-1.5 M?. The photometric and spectroscopic evolution of SN 2009md is similar to that of the class of sub-luminous Type IIP SNe; in this paper we compare the evolution of SN 2009md primarily to that of the sub-luminous SN 2005cs. We estimate the mass of 56Ni ejected in the explosion to be (5.4 +/- 1.3) x 10-3 M? from the luminosity on the radioactive tail, which is in agreement with the low 56Ni masses estimated for other sub-luminous Type IIP SNe. From the light curve and spectra, we show the SN explosion had a lower energy and ejecta mass than the normal Type IIP SN 1999em. We discuss problems with stellar evolutionary models, and the discrepancy between low observed progenitor luminosities (log L/L?similar to 4.35 dex) and model luminosities after the second dredge-up for stars in this mass range, and consider an enhanced carbon burning rate as a possible solution. In conclusion, SN 2009md is a faint SN arising from the collapse of a progenitor close to the lower mass limit for core collapse. This is now the third discovery of a low-mass progenitor star producing a low-energy explosion and low 56Ni ejected mass, which indicates that such events arise from the lowest end of the mass range that produces a core-collapse SN (78 M?).

Exploring the free energy surfaces of clusters using reconnaissance metadynamics

A new approach is proposed for exploring the low-energy structures of small to medium-sized aggregates of atoms and molecules. This approach uses the recently proposed reconnaissance metadynamics method [G. A. Tribello, M. Ceriotti, and M. Parrinello. Proc. Natl. Acad. Sci. U.S.A. 107(41), 17509 (2010)] in tandem with collective variables that describe the average structure of the coordination sphere around the atoms/molecules. We demonstrate this method on both Lennard-Jones and water clusters and show how it is able to quickly find the global minimum in the potential energy surface, while exploring the finite temperature free energy surface. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3628676]

Life-Cycle Energy Analysis of a Modular/Off-Site Building School

This paper is concerned with assessing the building’s the energy efficiency and qualities of a modular design for the education industry, in order assess the long economic benefits. The research includes a life-cycle energy and cost analysis of the school building design, predicting the impact on the operational cost of the building as a result of the addition of photovoltaic panels. The paper also includes a comparative study between the ECO Modular Solutions building, and a current standard prefabricated school building, quantifying the savings in CO2 emissions and savings in cost.

Structural and electronic properties of Ce overlayers and low-dimensional Pt-Ce alloys on Pt{111}

The structural, thermal, chemisorptive, and electronic properties of Ce on Pt{111} are studied by photoemission, Auger spectroscopy, scanning tunnel microscope (STM), and low-energy electron diffraction (LEED). Stranski-Krastanov-like growth of low-density Ce layers is accompanied by substantial valence charge transfer from Ce to Pt: in line with this, the measured dipole moment and polarizability of adsorbed Ce at low coverages are 7.2 x 10(-30) C m and similar to 1.3x10(-29) m(3), respectively. Pt-Ce intermixing commences at similar to 400 K and with increasing temperature a sequence of five different ordered surface alloys evolves. The symmetry, periodicities, and rotational epitaxy observed by LEED are in good accord with the STM data which reveal the true complexity of the system. The Various bimetallic surface phases are based on growth of crystalline Pt5Ce, a hexagonal layer structure consisting of alternating layers of Pt2Ce and Kagome nets of Pt atoms. This characteristic ABAB layered arrangement of the surface alloys is clearly imaged, and chemisorption data permit a distinction to be made between the more reactive Pt2Ce layer and the less reactive Pt Kagome net. Either type of layer can appear at the surface as the terminating structure, thicker films exhibiting unit mesh parameters characteristic of the bulk alloy.

Modified Thomson spectrometer design for high energy, multi-species ion sources

A modification to the standard Thomson parabola spectrometer is discussed, which is designed to measure high energy (tens of MeV/nucleon), broad bandwidth spectra of multi-species ions accelerated by intense laser plasma interactions. It is proposed to implement a pair of extended, trapezoidal shaped electric plates, which will not only resolve ion traces at high energies, but will also retain the lower energy part of the spectrum. While a longer (along the axis of the undeflected ion beam direction) electric plate design provides effective charge state separation at the high energy end of the spectrum, the proposed new trapezoidal shape will enable the low energy ions to reach the detector, which would have been clipped or blocked by simply extending the rectangular plates to enhance the electrostatic deflection.

Positronium-atom scattering at low energies

A pseudopotential for positronium-atom interaction, based on electron-atom and positron-atom phase shifts, is constructed, and the phase shifts for Ps-Kr and Ps-Ar scattering are calculated. This approach allows us to extend the Ps-atom cross sections, obtained previously in the impulse approximation [I. I. Fabrikant and G. F. Gribakin, Phys. Rev. Lett. 112, 243201 (2014)], to energies below the Ps ionization threshold. Although experimental data are not available in this low-energy region, our results describe well the tendency of the measured cross sections to drop with decreasing velocity at v < 1 a.u. Our results show that the effect of the Ps-atom van der Waals interaction is weak compared to the polarization interaction in electron-atom and positron-atom scattering. As a result, the Ps scattering length for both Ar and Kr is positive, and the Ramsauer-Townsend minimum is not observed for Ps scattering from these targets. This makes Ps scattering quite different from electron scattering in the low-energy region, in contrast to the intermediate energy range from the Ps ionization threshold up to v ∼ 2 a.u., where the two are similar.

Net energy analysis of a solar combi system with Seasonal Thermal Energy Store

EU targets require nearly zero energy buildings (NZEB) by 2020. However few monitored examples exist of how NZEB has been achieved in practise in individual residential buildings. This paper provides an example of how a low-energy building (built in 2006), has achieved nearly zero energy heating through the addition of a solar domestic hot water and space heating system (“combi system”) with a Seasonal Thermal Energy Store (STES). The paper also presents a cumulative life cycle energy and cumulative life cycle carbon analysis for the installation based on the recorded DHW and space heating demand in addition to energy payback periods and net energy ratios. In addition, the carbon and energy analysis is carried out for four other heating system scenarios including hybrid solar thermal/PV systems in order to obtain the optimal system from a carbon efficiency perspective.

Reduction of Carbon Dioxide to Formate at Low Overpotential using a Superbase Ionic Liquid

A new low-energy pathway is reported for the electrochemical reduction of CO2 to formate and syngas at low overpotentials, utilizing a reactive ionic liquid as the solvent. The superbasic tetraalkyl phosphonium ionic liquid [P66614][124Triz] is able to chemisorb CO2 through equimolar binding of CO2 with the 1,2,4-triazole anion. This chemisorbed CO2 can be reduced at silver electrodes at overpotentials as low as 0.17 V, forming formate. In contrast, physically absorbed CO2 within the same ionic liquid or in ionic liquids where chemisorption is impossible (such as [P66614][NTf2]) undergoes reduction at significantly increased overpotentials, producing only CO as the product.

Extreme-Ultraviolet-Initated High-Order Harmonic Generation: Driving Inner-Valence Electrons Using Below-Threshold-Energy Extreme-Ultraviolet Light

We propose a novel scheme for resolving the contribution of inner- and outer-valence electrons in XUV-initiated high-harmonic generation in neon. By probing the atom with a low energy (below the 2s ionisation threshold) ultrashort XUV pulse, the 2p electron is steered away from the core, while the 2s electron is enabled to describe recollision trajectories. By selectively suppressing the 2p recollision trajectories we can resolve the contribution of the 2s electron to the high-harmonic spectrum. We apply the classical trajectory model to account for the contribution of the 2s electron, which allows for an intuitive understanding of the process.

Challenging assumptions of future coastal habitat development around the UK

One habitat management requirement forced by 21st century relative sea-level rise (RSLR), will be the need to re-comprehend the dimensions of long-term transgressive behaviour of coastal systems being forced by such RSLR. Fresh approaches to the conceptual modelling and subsequent implementation of new coastal and peri-marine habitats will be required. There is concern that existing approaches to forecasting coastal systems development (and by implication their associated scarce coastal habitats) over the next century depend on a certain premise of orderly spatial succession of habitats. This assumption is shown to be questionable given the possible future rates of RSLR, magnitude of shoreline retreat and the lack of coastal sediment to maintain the protective morphologies to low-energy coastal habitats. Of these issues, sediment deficiency is regarded as one of the major problem for future habitat development. Examples of contemporary behaviour of UK coasts show evidence of coastal sediment starvation resulting from relatively stable RSLR, anthropogenic sealing of coastal sources, and intercepted coastal sediment pathways, which together force segmentation of coastal systems. From these examples key principles are deduced which may prejudice the existence of future habitats: accelerated future sediment demand due to RSLR may not be met by supply and, if short- to medium-term hold-the-line policies predominate, long-term strategies for managed realignment and habitat enhancement may prove impossible goals. Methods of contemporary sediment husbandry may help sustain some habitats in place but otherwise, instead of integrated coastal organization, managers may need to consider coastal breakdown, segmentation and habitat reduction as the basis of 21st century coastal evolution and planning.

Positronium scattering by Ne, Ar, Kr and Xe in the frozen target approximation

A full-electron coupled-state treatment of positronium (Ps)- inert gas scattering is developed within the context of the frozen target approximation. Calculations are performed for Ps(Is) scattering by Ne and Ar in the impact energy range 0-40 eV using coupled pseudostate expansions consisting of nine and 22 Ps states. The purpose of the pseudostates is primarily to represent ionization of the Ps which is found to be a major process at the higher energies. First Born estimates of target excitation are used to complement the frozen target results. The available experimental data are discussed in detail. It is pointed out that the very low energy measurements (less than or equal to2 eV) correspond to the momentum transfer cross section sigma(mom) and not to the elastic cross section sigma(el). Calculation shows that sigma(mom), and sigma(el) diverge very rapidly with increasing energy and consequently comparisons of the low-energy data with ITel can be very misleading. Agreement between the calculations and the low-energy measurements of anion as well;as higher energy (greater than or equal to15 eV) beam measurements of the total cross section, is less than satisfactory. Results for Ps(1s) scattering by Kr and Xe in the static-exchange approximation are also presented.

Importance of the H- channel in Ps-H scattering

It is shown that virtual H- formation has a profound effect upon low-energy Ps(1s)-H(1s) scattering, yet H- formation only accounts for about 10% of the total cross section just above threshold. Infinite series of Rydberg resonances converging on to the H- formation threshold are seen.

RHESSI and SOHO CDS Observations of Explosive Chromospheric Evaporation

Simultaneous observations of explosive chromospheric evaporation are presented using data from the Reuven Ramaty High-Energy Solar Spectroscopic Imager (RHESSI) and the Coronal Diagnostic Spectrometer (CDS) on board the Solar and Heliospheric Observatory. For the first time, cospatial imaging and spectroscopy have been used to observe explosive evaporation within a hard X-ray emitting region. RHESSI X-ray images and spectra were used to determine the flux of nonthermal electrons accelerated during the impulsive phase of an M2.2 flare. When we assumed a thick-target model, the injected electron spectrum was found to have a spectral index of similar to 7.3, a low-energy cutoff of similar to 20 keV, and a resulting flux of >= 4 x10(10) ergs cm(-2) s(-1). The dynamic response of the atmosphere was determined using CDS spectra; we found a mean upflow velocity of 230 +/- 38 km s(-1) in Fe (XIX) (592.23 angstrom) and associated downflows of 36 +/- 16 and 43 +/- 22 km s(-1) at chromospheric and transition region temperatures, respectively, relative to an averaged quiet- Sun spectra. The errors represent a 1 j dispersion. The properties of the accelerated electron spectrum and the corresponding evaporative velocities were found to be consistent with the predictions of theory.

Electron recombination with multicharged ions via chaotic many-electron states

We show that a dense spectrum of chaotic multiply excited eigenstates can play a major role in collision processes involving many-electron multicharged ions. A statistical theory based on chaotic properties of the eigenstates enables one to obtain relevant energy-averaged cross sections in terms of sums over single-electron orbitals. Our calculation of low-energy electron recombination of Au25+ shows that the resonant process is 200 times more intense than direct radiative recombination, which explains the recent experimental results of Hoffknecht [J. Phys. B 31, 2415 (1998)].