An R -matrix with pseudo-states calculation of electron-impact excitation in C 2 +

We have performed an R-matrix with pseudo-states (RMPS) calculation of electron-impact excitation in C2+.Collision strengths and effective collision strengths were determined for excitation between the lowest 24 terms, including all those arising from the 2s3l and 2s4l configurations. In the RMPS calculation, 238 terms (90 spectroscopic and 148 pseudo-state) were employed in the close-coupling (CC) expansion of the target. In order to investigate the significance of coupling to the target continuum and highly excited bound states, we compare the RMPS results with those from an R-matrix calculation that incorporated all 238 terms in the configuration- interaction expansion, but only the lowest 44 spectroscopic terms in the CC expansion. We also compare our effective collision strengths with those from an earlier 12-state R-matrix calculation (Berrington et al 1989 J. Phys. B: At.Mol. Opt. Phys. 22 665). The RMPS calculation was extremely large, involving (N +1)-electron Hamiltonian matrices of dimension up to 36 085, and required the use of our recently completed suite of parallel R-matrix programs. The full set of effective collision strengths fromourRMPS calculation is available at theOakRidgeNationalLaboratoryControlledFusion Atomic Data Center web site. 1.

Vibrational excitation of the N2+ first negative (0,0), (1,0) and (2,0) bands by electron impact: a theoretical study using the R-matrix approach

Ab initio cross section calculations for vibronic excitation using the R -matrix approach have been performed on the N 2 + molecular ion complex. A three-state close-coupling expansion is used where the electronic target states; X 2 g + , A 2 u and B 2 u + of the molecular cation are represented by a valence configuration-interaction approximation. A non-adiabatic approximation is invoked to study vibronic excitation for the first three negative bands, (0,0), (1,0) and (2,0) of the X-B transition (B 2 u + v ´ X 2 g + v ´´ ) of N 2 + . Fixed-nuclei and non-adiabatic cross section results are compared with the available experimental data for the (0,0) band and the breakdown of the adiabatic fixed-nuclei approximation is clearly evident for the vibronic excitation of the (1,0) and (2,0) bands in this molecular ion complex.

Electron-impact excitation and ionization of W 3+ for the determination of tungsten influx in a fusion plasma

Tungsten will be employed as a plasma facing material in the ITER fusion reactor under construction in Cadarache, France; therefore, there is a significant need for accurate electron-impact excitation and ionization data for the ions of tungsten. We report on the results of extensive calculations of ionization and excitation for W 3+ that are intended to provide the atomic data needed for the determination of impurity influx diagnostics of tungsten in several existing tokamak reactors. The electron-impact excitation rate coefficients for this study were determined using the relativistic R -matrix method. The contribution to direct electron-impact ionization was determined using the distorted-wave approximation, the accuracy of which was verified by an R -matrix with pseudo states calculation. Contributions to total ionization from excitation autoionization were also generated from the relativistic R -matrix method. These results were then employed to calculate values of ionization per emitted photon, or SXB ratios, for four carefully selected spectral lines; these data will allow the determination of impurity influx from tungsten facing surfaces. For the range of densities of importance in the edge region of a tokamak reactor, these SXB ratios are found to be nearly independent of electron density but vary significantly with electron temperature.

Electron-impact excitation of beryllium and its ions

Inelastic electron scattering from light atomic species is of fundamental importance and has significant applications in fusion-plasma modeling. Therefore, it is of interest to apply advanced nonperturbative, close-coupling methods to the determination of electron-impact excitation for these atoms. Here we present the results of R matrix with pseudostate (RMPS) calculations of electron-impact excitation cross sections through the n=4 terms in Be, Be+, Be2+, and Be3+. In order to determine the effects of coupling of the bound states to the target continuum in these species, we compare the RMPS results with those from standard R-matrix calculations. In addition, we have performed time-dependent close-coupling calculations for excitation from the ground and the metastable terms of Be+ and the metastable term of Be3+. In general, these results are found to agree with those from our RMPS calculations. The full set of data resulting from this work is now available on the Oak Ridge National Laboratory Controlled Fusion Atomic Data Center web site, and will be employed for collisional-radiative modeling of Be in magnetically confined plasmas.

Electron-impact excitation of Ar 2+

Context: Emission from Ar III is seen in planetary nebulae, in H II regions, and from laboratory plasmas. The analysis of such spectra requires accurate electron impact excitation data. Aims: The aim of this work is to improve the electron impact excitation data available for Ar2+, for application in studies of planetary nebulae and laboratory plasma spectra. The effects of the new data on diagnostic line ratios are also studied. Methods: Electron-impact excitation collision strengths have been calculated using the R-Matrix Intermediate-Coupling Frame-Transformation method and the R-Matrix Breit-Pauli method. Excitation cross sections are calculated between all levels of the configurations 3s^23p^4, 3s3p^5, 3p^6, 3p^53d, and 3s^23p^3nl (3d ≤ nl ≤ 5s). Maxwellian effective collision strengths are generated from the collision strength data. Results: Good agreement is found in the collision strengths calculated using the two R-Matrix methods. The collision strengths are compared with literature values for transitions within the 3s^23p4 configuration. The new data has a small effect on Te values obtained from the I(λ7135 Å+ λ7751 Å)/ I(λ5192 Å) line ratio, and a larger effect on the Ne values obtained from the I(λ7135 Å)/I(λ9 μm) line ratio. The final effective collision strength data is archived online.

Electron-impact excitation of Xe 26+ and its resultant spectral signature

We have carried out a 129 close-coupling level Dirac-Coulomb R-matrix calculation for the electron-impact excitation of Ni-like Xe. We have utilized this data to generate the spectral signature of Xe26+ in terms of feature photon-emissivity coefficients (F-PεCs). We have compared these F-PεCs with those generated using semi-relativistic plane-wave Born excitation data, which forms the heavy species baseline for the Atomic Data and Analysis Structure (ADAS), We find that the Born-based F-PεCs give a reasonable qualitative description of the spectral signature but that, quantitatively, the R-matrix-based F-PεCs differ by up to a factor of 2. The spectral signature of heavy species is key to diagnosing hot plasmas such as will be found in the International Thermonuclear Experimental Reactor.

A radiation-damped R -matrix approach to the electron-impact excitation of helium-like ions for diagnostic application to fusion and astrophysical plasmas

Electron-impact excitation collision strengths for transitions between all singly excited levels up to the n = 4 shell of helium-Eke argon and the n = 4 and 5 shells of helium-like iron have been calculated using a radiation-damped R-matrix approach. The theoretical collision strengths have been examined and associated with their infinite-energy limit values to allow the preparation of Maxwell-averaged effective collision strengths. These are conservatively considered to be accurate to within 20% at all temperatures, 3 x 10(5)-3 x 10(8) K forAr(16+) and 10(6)-10(9) K for Fe24+. They have been compared with the results of previous studies, where possible, and we find a broad accord. The corresponding rate coefficients are required for use in the calculation of derived, collisional-radiative, effective emission coefficients for helium-like lines for diagnostic application to fusion and astrophysical plasmas. The uncertainties in the fundamental collision data have been used to provide a critical assessment of the expected resultant uncertainties in such derived data, including redistributive and cascade collisional-radiative effects. The consequential uncertainties in the parts of the effective emission coefficients driven by excitation from the ground levels for the key w, x, y and z lines vary between 5% and 10%. Our results remove an uncertainty in the reaction rates of a key class of atomic processes governing the spectral emission of helium-like ions in plasmas.

Electron-impact excitation of open d-shell ions

Astrophysics is driven by observations, and in the present era there are a wealth of state-of-the-art ground-based and satellite facilities. The astrophysical spectra emerging from these are of exceptional quality and quantity and cover a broad wavelength range. To meaningfully interpret these spectra, astronomers employ highly complex modelling codes to simulate the astrophysical observations. Important input to these codes include atomic data such as excitation rates, photoionization cross sections, oscillator strengths, transition probabilities and energy levels/line wavelengths. Due to the relatively low temperatures associated with many astrophysical plasmas, the accurate determination of electron-impact excitation rates in the low energy region is essential in generating a reliable spectral synthesis. Hence it is these atomic data, and the main computational methods used to evaluate them, which we focus on in this publication. We consider in particular the complicated open d- shell structures of the Fe-peak ions in low ionization stages. While some of these data can be obtained experimentally, they are usually of insufficient accuracy or limited to a small number of transitions.

Effective collision strengths for election impact excitation of Cl III

Effective collision strengths for electron-impact excitation of the phosphorus-like ion Cl III are presented for all fine-structure transitions among the levels arising from the lowest 23 LS states. The collisional cross sections are computed in the multichannel close-coupling R-matrix approximation, where sophisticated configuration-interaction wave functions are used to represent the target states. The 23 LS states are formed from the basis configurations 3s²3p³, 3s3p⁴, 3s²3p²3d, and 3s²3p²4s, and correspond to 49 fine-structure levels, leading to a total possible 1176 fine-structure transitions. The effective collision strengths, obtained by averaging the electron collision strengths over a Maxwellian distribution of electron velocities, are tabulated in this paper for all 1176 transitions and for electron temperatures in the ranges T(K)=7500-25,000 and log T(K)=4.4-5.4. The former range encompasses the temperatures of particular importance for application to gaseous nebulae, while the latter range is more applicable to the study of solar and laboratory-type plasmas. © 2001 Academic Press.

Electron impact excitation of the Fe-peak ions Ni III and Ni IV

Accurate determination of electron excitation rates for the Fe-peak elements is complicated by the presence of an open 3d-shell in the description of the target ion, which can lead to hundreds of target state energy levels. Furthermore, the low energy scattering region is dominated by series of Rydberg resonances, which require a very fine energy mesh for their delineation. These problems have prompted the development of a suite of parallel R-matrix codes. In this work we report recent applications of these codes to the study of electron impact excitation of Ni III and Ni IV.

Comparison of Parallelised R-matrix codes for electron impact excitation of Cr II

A comparison of collision strengths and effective collision strengths has been undertaken for the Cr II ion based on the model of Wasson et al [2010 A & A. 524 A35]. Calculations have been completed using the Breit-Pauli, RMATRX II and DARC suites of codes.

Project Management within an Urban Site Context: Issues considering External Stakeholders

Large construction projects create numerous hazards, making it one of the most dangerous industries in which to work. This element of risk increases in urban areas and can have a negative impact on the external stakeholders associated with the project, along with their surrounding environments. The aim of this paper is to identify and document, in an urban context, the numerous issues encountered by on-site project managers from external stakeholders and how they affect a construction project. In addressing this aim, the core objective is to identify what issues are involved in the management of these stakeholders. In order to meet this requirement, a qualitative methodology encompassing an informative literature review followed by five individual case study interviews. The data gathered is assessed qualitatively using mind mapping software. A number of issues are identified which have an impact on the external stakeholders involved, and also how they affected proceedings on site. Collectively the most commonly occurring issues are environmental, legal, health and safety and communication issues. These ranged from road closures and traffic disruption to noise, dust and vibrations from site works. It is anticipated that the results of this study will assist and aid project managers in identifying issues considering external stakeholders, particularly on urban construction projects. A wide range of issues can develop depending on the complexity and nature of each project, but this research will illustrate and reinforce to project managers, that identifying issues early, effective communication and appropriate liaising can be used to manage the issues considering external stakeholders.

Study of multiferroic materials

The present PhD work aims the research and development of materials that exhibit multiferroic properties, in particular having a significant interaction between ferromagnetism and ferroelectricity; either directly within an intrinsic single phase or by combining extrinsic materials, achieving the coupling of properties through mechanic phenomena of the respective magnetostriction and piezoelectricity. These hybrid properties will allow the cross modification of magnetic and electric polarization states by the application of cross external magnetic and/or electric fields, giving way to a vast area for scientific investigation and potential technological applications in a new generation of electronic devices, such as computer memories, signal processing, transducers, sensors, etc. Initial experimental work consisted in chemical synthesis of nano powders oxides by urea pyrolysis method: A series of ceramic bulk composites with potential multiferroic properties comprised: of LuMnO3 with La0.7Sr0.3MnO3 and BaTiO3 with La0.7Ba0.3MnO3; and a series based on the intrinsic multiferroic LuMn1-zO3 phase modified with of Manganese vacancies. The acquisition of a new magnetron RF sputtering deposition system, in the Physics Department of Aveiro University, contributed to the proposal of an analogous experimental study in multiferroic thin films and multilayer samples. Besides the operational debut of this equipment several technical upgrades were completed like: the design and construction of the heater electrical contacts; specific shutters and supports for the magnetrons and for the substrate holder and; the addition of mass flow controllers, which allowed the introduction of N2 or O2 active atmosphere in the chamber; and the addition of a second RF generator, enabling co-deposition of different targets. Base study of the deposition conditions and resulting thin films characteristics in different substrates was made from an extensive list of targets. Particular attention was given to thin film deposition of magnetic phases La1-xSrxMnO3, La1-xBaxMnO3 and Ni2+x-yMn1-xGa1+y alloy, from the respective targets: La0.7Sr0.3MnO3, La0.7Ba0.3MnO3; and NiGa with NiMn. Main structural characterization of samples was performed by conventional and high resolution X-Ray Diffraction (XRD); chemical composition was determined by Electron Dispersion Spectroscopy (EDS); magnetization measurements recur to a Vibrating Sample Magnetometer (VSM) prototype; and surface probing (SPM) using Magnetic-Force (MFM) and Piezo-Response (PFM) Microscopy. Results clearly show that the composite bulk samples (LuM+LSM and BTO+LBM) feat the intended quality objectives in terms of phase composition and purity, having spurious contents below 0.5 %. SEM images confirm compact grain packaging and size distribution around the 50 nm scale. Electric conductivity, magnetization intensity and magneto impedance spreading response are coherent with the relative amount of magnetic phase in the sample. The existence of coupling between the functional phases is confirmed by the Magnetoelectric effect measurements of the sample “78%LuM+22%LSM” reaching 300% of electric response for 1 T at 100 kHz; while in the “78%BTO+22%LBM” sample the structural transitions of the magnetic phase at ~350 K result in a inversion of ME coefficient the behavior. A functional Magneto-Resistance measurement system was assembled from the concept stage until the, development and operational status; it enabled to test samples from 77 to 350 K, under an applied magnetic field up to 1 Tesla with 360º horizontal rotation; this system was also designed to measure Hall effect and has the potential to be further upgraded. Under collaboration protocols established with national and international institutions, complementary courses and sample characterization studies were performed using Magneto-Resistance (MR), Magneto-Impedance (MZ) and Magneto-Electric (ME) measurements; Raman and X-ray Photoelectron Spectroscopy (XPS); SQUID and VSM magnetization; Scanning Electron Microscopy (SEM) and Rutherford Back Scattering (RBS); Scan Probe Microscopy (SPM) with Band Excitation Probe Spectroscopy (BEPS); Neutron Powder Diffraction (NPD) and Perturbed Angular Correlations (PAC). Additional collaboration in research projects outside the scope of multiferroic materials provided further experience in sample preparation and characterization techniques, namely VSM and XPS measurements were performed in cubane molecular complex compounds and enable to identify the oxidation state of the integrating cluster of Ru ions; also, XRD and EDS/SEM analysis of the acquired targets and substrates implied the devolution of some items not in conformity with the specifications. Direct cooperation with parallel research projects regarding multiferroic materials, enable the assess to supplementary samples, namely a preliminary series of nanopowder Y1-x-yCaxØyMn1O3 and of Eu0.8Y0.2MnO3, a series of micropowder composites of LuMnO3 with La0.625Sr0.375MnO3 and of BaTiO3 with hexagonal ferrites; mono and polycrystalline samples of Pr1-xCaxMnO3, La1-xSrxMnO3 and La1-xCaxMnO3.

Internalising the external costs of light goods vehicle transport in Britain

Report produced as part of the Green Logistics project (EPSRC and Department for Transport funded). To what extent do the taxes paid by the light goods vehicles (LGVs) users in Britain cover their allocated infrastructural, environmental and congestion costs? This report is a continuation of a study on the internalisation of the external costs of heavy goods vehicle activity. Research undertaken jointly by the Transport Studies Group at University of Westminster and Logistics Research Centre at Heriot-Watt University has attempted to answer this question using official government transport statistics and monetary valuations for the external costs.

Internalising the external costs of light and heavy goods vehicle transport in London

Report produced as part of the Green Logistics project (EPSRC and Department for Transport funded). This report provides estimates of the total external costs of LGV and HGV operations in London. In 2006, total LGV and HGV activity imposed external costs of approximately £1.75-£1.8 billion using low, medium and high emission cost values. About 27 per cent of these costs were internalised by duties and taxes paid by LGV operators, compared with 26% in the case of HGVs. If congestion costs are excluded, taxes and duties paid by LGV operators are estimated to be 155% of LGVs' allocated infrastructural and environmental costs, compared with 85% in the case of HGVs. When using the medium emission cost values, LGVs accounted for 56% of these external costs in London and HGVs for 44%.