Long Run Demand for Energy Services: the Role of Economic and Technological Development

36 p.

Study of crystal structure and phase transition studies in perovskite-type oxides using powder-diffraction techniques and symmetry-mode analysis.

251 p.

A global assessment of manufacturing: Economic development, energy use, carbon emissions, and the potential for energy efficiency and materials recycling

We present in two parts an assessment of global manufacturing. In the first part, we review economic development, pollution, and carbon emissions from a country perspective, tracking the rise of China and other developing countries. The results show not only a rise in the economic fortunes of the newly industrializing nations, but also a significant rise in global pollution, particularly air pollution and CO2 emissions largely from coal use, which alter and even reverse previous global trends. In the second part, we change perspective and quantitatively evaluate two important technical strategies to reduce pollution and carbon emissions: energy efficiency and materials recycling. We subdivide the manufacturing sector on the basis of the five major subsectors that dominate energy use and carbon emissions: (a) iron and steel, (b) cement, (c) plastics, (d) paper, and (e) aluminum. The analysis identifies technical constraints on these strategies, but by combined and aggressive action, industry should be able to balance increases in demand with these technical improvements. The result would be high but relatively flat energy use and carbon emissions. The review closes by demonstrating the consequences of extrapolating trends in production and carbon emissions and suggesting two options for further environmental improvements, materials efficiency, and demand reduction. © 2013 by Annual Reviews. All rights reserved.

The influence of internal electric fields on the transition energy of InGaN/gaN quantum well

We present a new way to meet the amount of strain relaxation in an InGaN quantum well layer grown on relaxed GaN by calculating and measuring its internal field. With perturbation theory, we also calculate the transition energy of InGaN/GaN SQWs as affected by internal fields. The newly reported experimental data by Graham et al. fit our calculations well on the assumption that the InGaN well layer suffered a 20% strain relaxation, we discuss the differences between our calculated results and the experimental data. Our calculation suggests that with the increase of indium mole fraction in the InGaN/GaN quantum well, the effect of polarization fields on the luminescence of the quantum well will increase. Moreover, our calculation also suggests that an increase in the quantum well width by only one monolayer can result in a large reduction in the transition energy. (c) 2006 Elsevier B.V. All rights reserved.

Accurate determination of electronic transition energy of carbon nanotubes from the resonant behavior of radial breathing modes and their overtones

The resonant Raman behavior of the radial breathing modes are very useful to analyze the electronic property of carbon nanotubes. We investigated the resonant behaviors of Stokes and anti-Stokes radial breathing mode and its overtone of a metallic nanotube, and show how to accurately determine the electronic transition energy of carbon nanotubes from radial breathing modes and their overtones. Based on the present results, the previously reported resonant Raman behavior of the radial breathing modes of SWINT bundles can be interpreted very well.

Free energy and molecular dynamics calculations for the cubic-tetragonal phase transition in zirconia

The high-temperature cubic-tetragonal phase transition of pure stoichiometric zirconia is studied by molecular dynamics (MD) simulations and within the framework of the Landau theory of phase transformations. The interatomic forces are calculated using an empirical, self-consistent, orthogonal tight-binding model, which includes atomic polarizabilities up to the quadrupolar level. A first set of standard MD calculations shows that, on increasing temperature, one particular vibrational frequency softens. The temperature evolution of the free-energy surfaces around the phase transition is then studied with a second set of calculations. These combine the thermodynamic integration technique with constrained MD simulations. The results seem to support the thesis of a second-order phase transition but with unusual, very anharmonic behavior above the transition temperature.

The near-edge structure in energy-loss spectroscopy: many-electron and magnetic effects in transition metal nitrides and carbides

We investigate the ability of the local density approximation (LDA) in density functional theory to predict the near-edge structure in electron energy-loss spectroscopy in the dipole approximation. We include screening of the core hole within the LDA using Slater's transition state theory. We find that anion K-edge threshold energies are systematically overestimated by 4.22 +/- 0.44 eV in twelve transition metal carbides and nitrides in the rock-salt (B1) structure. When we apply this 'universal' many-electron correction to energy-loss spectra calculated within the transition state approximation to LDA, we find quantitative agreement with experiment to within one or two eV for TiC, TiN and VN. We compare our calculations to a simpler approach using a projected Mulliken density which honours the dipole selection rule, in place of the dipole matrix element itself. We find remarkably close agreement between these two approaches. Finally, we show an anomaly in the near-edge structure in CrN to be due to magnetic structure. In particular, we find that the N K edge in fact probes the magnetic moments and alignments of ther sublattice.

Energy levels and transition probabilities for nitrogen-like Fe xx

Energies of the 700 lowest levels in Fe XX have been obtained using the multiconfiguration Dirac-Fock method. Configuration interaction method on the basis set of transformed radial orbitals with variable parameters taking into account relativistic corrections in the Breit-Pauli approximation was used to crosscheck our presented results. Transition probabilities, oscillator and line strengths are presented for electric dipole (E1), electric quadrupole (E2) and magnetic dipole (M1) transitions among these levels. The total radiative transition probabilities from each level are also provided. Results are compared with data compiled by NIST and with other theoretical work.

Dirac-Fock energy levels and transition probabilities for oxygen-like Fe XIX

Multiconfigurational Dirac-Fock calculations are reported for 656 energy levels and the 214 840 electric dipole (E I), electric quadrupole (E2) and magnetic dipole (M1) transition probabilities in oxygen-like Fe xix. The spectroscopic notations as well as the total transition probabilities from each energy level are provided. Good agreement is found with data compiled by NIST.

Cool Rationalities and Hot Air: A Rhetorical Approach to Understanding Debates on Renewable Energy.

A key obstacle to the wide-scale development of renewable energy is that public acceptability of wind energy cannot be taken for granted when wind energy moves from abstract support to local implementation. Drawing on a case study of opposition to the siting of a proposed off-shore wind farm in Northern Ireland, we offer a rhetorical analysis of a series of representative documents drawn from government, media, pro- and anti-wind energy sources, which identifies and interprets a number of discourses of objection and support. The analysis indicates that the key issue in terms of the transition to a renewable energy economy has little to do with the technology itself. Understanding the different nuances of pro- and anti-wind energy discourses highlights the importance of thinking about new ways of looking at these conflicts. These include adopting a “conflict resolution” approach and “upstreaming” public involvement in the decision-making process and also the counter-productive strategy of assuming that objection is based on ignorance (which can be solved by information) or NIMBY thinking (which can be solved by moral arguments about overcoming “free riders”).