No description available.

Calculations of band-to-band impact ionisation rates performed in the semi-classical Fermi’s Golden Rule approximation are presented here for the semiconductors GaAs, In(_0.53)Ga(_0.47)As and Si(_0.5)Ge(_0.5) at 300K. The crystal band structure is calculated using the empirical pseudopotential method. To increase the speed with which band structure data at arbitrary k-vectors can be obtained, an interpolation scheme has been developed. Energies are quadratically interpolated on adapted meshes designed to ensure accuracy is uniform throughout the Brillouin zone, and pseudowavefunctions are quadratically interpolated on a regular mesh. Matrix elements are calculated from the pseudowavefunctions, and include the terms commonly neglected in calculations for narrow band gap materials and an isotropic approximation to the full wavevector and frequency dependent dielectric function. The numerical integration of the rate over all distinct energy and wavevector conserving transitions is performed using two different algorithms. Results from each are compared and found to be in good agreement, indicating that the algorithms are reliable. The rates for electrons and holes in each material are calculated as functions of the k-vector of the impacting carriers, and found to be highly anisotropic. Average rates for impacting carriers at a given energy are calculated and fitted to Keldysh-type expressions with higher than quadratic dependence of the rate on energy above threshold being obtained in all cases. The average rates calculated here are compared to results obtained by other workers, with reasonable agreement being obtained for GaAs, and poorer agreement obtained for InGaAs and SiGe. Possible reasons for the disagreement are investigated. The impact ionisation thresholds are examined and k-space and energy distributions of generated carriers are determined. The role of threshold anisotropy, variation in the matrix elements and the shape of the bands in determining characteristics of the rate, particularly the softness of the rate's threshold behaviour are investigated.

No description available.

The effect of fluorine on the solubilities of Mn-columbite (MnNb2O6), Mn-tantalite (MnTa2O6), zircon (ZrSiO4) and hafnon (HfSiO4) were determined in highly fluxed, water-saturated haplogranitic melts at 800 to 1000 °C and 2000 bars. The melt corresponds to the intersection of the granite minimum with the albite-orthoclase tieline (Ab72Or28) in the quartz-albite-orthoclase system (Q-Ab-Or) due to the addition of P2O5 to the melt. The melt content of P2O5 is 1.7 wt. %, and also contains 1.1 and 2.02 wt. % of Li2O and B2O3, respectively. The composition of the starting glass represents the composition of melts from which rare-elements pegmatites crystallized. Up to 6 wt. % fluorine was added as AgF in order to keep the aluminum saturation index (ASI) of the melt constant. In an additional experiment F was added as AlF3 to make the glass peraluminous. The nominal ASI (molar Al/[Na+K]) of the melts is close to 1 and approximately 1.32 in peraluminous glasses, but if Li considered as an alkali, the ASI of the melts are alkaline (0.85) and subaluminous (1.04), respectively. The solubility products [MnO]*[Nb2O5] and [MnO]*[Ta2O5] are nearly independent of the F content of the melt, approximately 18.19 ± 1.2 and 43.65 ± 2.5 x10-4 KSP (mol2/kg2), respectively. By contrast, there is a positive dependence of zircon and hafnon solubilities on the fluorine content, which increases from 2.03 ± 0.03 x10-4 (mol/kg) ZrO2 and 4.04 ± 0.2 x10-4 (mol/kg) HfO2 for melts with 0 wt. % F to 3.81 ± 0.3 x10-4 (mol/kg) ZrO2 and 6.18 ± 0.04 x10-4 (mol/kg) HfO2 for melts with 8 wt. % F. Comparison of the data from this work and previous studies indicates that ASI of the melt seems to have a stronger effect than the contents of fluxing elements in the melt and the overall conclusion is that fluorine is less important (relative to melt compositions) than previously thought for the control on the behavior of high field strength elements in highly evolved granitic melts. Moreover, this study confirms that although Nb, Ta, Zr and Hf are all high field strength elements, Nb-Ta and Zr-Hf are complexed differently.

The effect of fluorine on the solubilities of Mn-columbite (MnNb2O6), Mn-tantalite (MnTa2O6), zircon (ZrSiO4) and hafnon (HfSiO4) were determined in highly fluxed, water-saturated haplogranitic melts at 800 to 1000 °C and 2000 bars. The melt corresponds to the intersection of the granite minimum with the albite-orthoclase tieline (Ab72Or28) in the quartz-albite-orthoclase system (Q-Ab-Or) due to the addition of P2O5 to the melt. The melt content of P2O5 is 1.7 wt. %, and also contains 1.1 and 2.02 wt. % of Li2O and B2O3, respectively. The composition of the starting glass represents the composition of melts from which rare-elements pegmatites crystallized. Up to 6 wt. % fluorine was added as AgF in order to keep the aluminum saturation index (ASI) of the melt constant. In an additional experiment F was added as AlF3 to make the glass peraluminous. The nominal ASI (molar Al/[Na+K]) of the melts is close to 1 and approximately 1.32 in peraluminous glasses, but if Li considered as an alkali, the ASI of the melts are alkaline (0.85) and subaluminous (1.04), respectively. The solubility products [MnO]*[Nb2O5] and [MnO]*[Ta2O5] are nearly independent of the F content of the melt, approximately 18.19 ± 1.2 and 43.65 ± 2.5 x10-4 KSP (mol2/kg2), respectively. By contrast, there is a positive dependence of zircon and hafnon solubilities on the fluorine content, which increases from 2.03 ± 0.03 x10-4 (mol/kg) ZrO2 and 4.04 ± 0.2 x10-4 (mol/kg) HfO2 for melts with 0 wt. % F to 3.81 ± 0.3 x10-4 (mol/kg) ZrO2 and 6.18 ± 0.04 x10-4 (mol/kg) HfO2 for melts with 8 wt. % F. Comparison of the data from this work and previous studies indicates that ASI of the melt seems to have a stronger effect than the contents of fluxing elements in the melt and the overall conclusion is that fluorine is less important (relative to melt compositions) than previously thought for the control on the behavior of high field strength elements in highly evolved granitic melts. Moreover, this study confirms that although Nb, Ta, Zr and Hf are all high field strength elements, Nb-Ta and Zr-Hf are complexed differently.

Thesis (MSc (Physics))--University of Stellenbosch, 2010. / ENGLISH ABSTRACT: See abstract in full text / AFRIKAANSE OPSOMMING: Sien opsomming in volteks

In some high-field laser-plasma experiments, it is advantageous to accompany the main high-energy (~1 J) laser with a second high-energy pulse (~0.1 J) which has been frequency-shifted by ~10-20%. Such a pulse-pair would have a low walk-off velocity while remaining spectrally distinct for use in two-color pump-probe experiments. Moreover, by shifting the second pulse by ~plasma frequency, it is theoretically possible to exercise some amount of control over a variety of laser-plasma instabilities, including forward Raman scattering, electromagnetic cascading, and relativistic self-focusing. Alternatively, the two pulses may be counter-propagated so that the collide in the plasma and create a slowly-propagating beatwave which can be used to inject electrons into a laser wakefield accelerator. The design, characeterization, and performance of a hybrid chirped-pulse Raman amplifier (CPRA)/Ti-Sapphire amplifier are reported and discussed. This hybrid system allows for the generation of a high-energy (>200 mJ), broadband (15-20 nm bandwidth FWHM), short duration (>100 fs duration) laser sideband. When amplified and compressed, the Raman beam's power exceeds 1 TW. This sideband is combined with the primary laser system to create a bi-color terawatt laser system which is capable of performing two-color high-field experiments. This two-color capability can be added to any commercial terawatt laser system without compromising the energy, duration or beam quality of the primary system. Preliminary two-color laser-plasma experiments are also discussed. / text

Imaging of myocardial viability using the delayed enhancement technique currently provides high image contrast between infarcted and normal tissue with the aid of a magnetization prepared fast gradient echo pulse sequence following the administration of an extracellular contrast agent. However, there exists a degree of image contrast variability and subjectivity due to contrast agent kinetics and user-specified imaging parameters. Also, the technique has not been explored at higher field strengths (3T), which offer greater inherent signal-to-noise ratio. The overall goal of this study is to compare magnetic resonance delayed contrast enhancement of myocardial infarction at 1.5T and 3T. The analysis was conducted by first developing a comprehensive mathematical simulation of the imaging sequence, which allowed modification of various imaging parameters. Simulations were performed to optimize the sequence for flip angle and inversion time, as well as to evaluate the influence of other image parameters that affected contrast. These theoretical results were validated experimentally with phantoms. In vivo post-contrast T1 measurements at 1.5T and 3T from normal volunteers (n=10) and patients (n=5) provided more precise input into mathematical optimization simulations. In both populations, longer T1 values were found at 3T compared to 1.5T for normal (pre-contrast: 1.24 .06s vs. 1.07 .05s; post-contrast: 0.34-0.59 vs. 0.33-0.54s, n=15) and infarcted myocardium (pre-contrast: 1.27 .06s vs. 1.04 .06s; post-contrast: 0.25-0.37s vs. 0.23-0.32s, n=5). Corresponding simulations using these T1 values revealed an infarct-to-normal tissue contrast gain at 3T of approximately 25%. In vivo image contrast between infarcted and normal tissue following contrast administration was also higher at 3T by approximately 37%. In conclusion, there was good correlation between mathematical simulations of delayed enhancement and experimental results, enabling parameters to be compared and optimized offline given input T1 values. Although contrast-enhanced viability imaging at 3T suffered from artifacts due to field, RF, and inversion pulse inhomogeneity, these results suggest that 3T offers higher contrast-to-noise ratio than 1.5T for this application.

Computational quantum mechanics in the frame work of density functional theory (DFT) was used to investigate the effect of chemical impurities on high field conduction in polyethylene (PE). The impurity states in the band gap caused by common chemical impurities were characterized in terms of their “depth”, i.e. energy relative to their relevant band edge (valence band or conduction band), and in terms of the extent to which their wavefunctions were localized to a single polymer chain or extended across chains. It was found that impurity states can affect high field phenomena by providing “traps” for carriers, the depths of which were computed from first principle in agreement with estimates in literature. Since the square of the wavefunction is proportional to the spatial electron probability density, transfer of charge between chains requires wavefunctions which are extended across chains. Impurity states which are extended between chains can facilitate the inherently limited interchain charge transfer in PE, as the DFT study of iodine doped PE revealed. The introduction of iodine into PE increases conductivity by several orders of magnitude, increases hole mobility to a much greater extent than electron mobility, and decreases the activation energy of conduction from about 1 eV to about 0.8 eV. These characteristics were explained in terms of the impurity states introduced by iodine and wavefunctions of those states. Understanding the effect of iodine on conduction in PE provided a basis for understanding the effect of common chemical impurities on conduction therein. In particular, carbonyl and vinyl impurities create states which should promote hole mobility in a manner very similar to that caused by iodine. It was demonstrated that in the context of high field conduction in PE, besides the traditional focus on the depth of impurity states, it is important to study the spatial features of the states wavefunctions which are neither discussed nor accounted for in present models.

Computational quantum mechanics in the frame work of density functional theory (DFT) was used to investigate the effect of chemical impurities on high field conduction in polyethylene (PE). The impurity states in the band gap caused by common chemical impurities were characterized in terms of their “depth”, i.e. energy relative to their relevant band edge (valence band or conduction band), and in terms of the extent to which their wavefunctions were localized to a single polymer chain or extended across chains. It was found that impurity states can affect high field phenomena by providing “traps” for carriers, the depths of which were computed from first principle in agreement with estimates in literature. Since the square of the wavefunction is proportional to the spatial electron probability density, transfer of charge between chains requires wavefunctions which are extended across chains. Impurity states which are extended between chains can facilitate the inherently limited interchain charge transfer in PE, as the DFT study of iodine doped PE revealed. The introduction of iodine into PE increases conductivity by several orders of magnitude, increases hole mobility to a much greater extent than electron mobility, and decreases the activation energy of conduction from about 1 eV to about 0.8 eV. These characteristics were explained in terms of the impurity states introduced by iodine and wavefunctions of those states. Understanding the effect of iodine on conduction in PE provided a basis for understanding the effect of common chemical impurities on conduction therein. In particular, carbonyl and vinyl impurities create states which should promote hole mobility in a manner very similar to that caused by iodine. It was demonstrated that in the context of high field conduction in PE, besides the traditional focus on the depth of impurity states, it is important to study the spatial features of the states wavefunctions which are neither discussed nor accounted for in present models.