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Unique physical properties such as small effective mass, high electron drift velocities, high electron mobility and small band gap energy make InN a candidate for applications in high-speed microelectronic and optoelectronic devices. The aim of this research is to understand the surface properties, desorption kinetics and thermal stability of InN epilayers that affect the growth processes and determine film quality as well as device performance and life time. We have investigated the structural properties, the surface desorption kinetics, and the thermal stability using Auger electron spectroscopy (AES), x-ray diffraction (XRD), Raman spectroscopy, atomic force microscopy (AFM), high resolution electron energy loss spectroscopy (HREELS), and temperature programmed desorption (TPD). Investigations on high pressure chemical vapor deposition (HPCVD)-grown InN samples revealed the presence of tilted crystallites, which were attributed to high group V/III flux ratio and lattice mismatch. A study of the thermal stability of HPCVD-grown InN epilayers revealed that the activation energy for nitrogen desorption was 1.6±0.2 eV, independent of the group V/III flux ratio. Initial investigations on the ternary alloy In0.96Ga0.04N showed single-phase, N-polar epilayers using XRD and HREELS, while a thermal desorption study revealed an activation energy for nitrogen desorption of 1.14 ± 0.06 eV. HREELS investigations of atomic layer epitaxy (ALE)-grown InN revealed vibrational modes assigned to N-N vibrations. The atomic hydrogen cleaned InN surface also exhibited modes assigned to surface N-H without showing In-H species, which indicated N-polar InN. Complete desorption of hydrogen from the InN surface was best described by the first-order desorption kinetics with an activation energy of 0.88 ± 0.06 eV and pre-exponential factor of (1.5 ± 0.5) ×105 s-1. Overall, we have used a number of techniques to characterize the structure, surface bonding configuration, thermal stability and hydrogen desorption kinetics of InN and In0.96Ga0.04N epilayers grown by HPCVD and ALE. High group V/III precursors ratio and lattice mismatch have a crucial influence on the film orientation. The effects of hydrogen on the decomposition add to the wide variation in the activation energy of nitrogen desorption. Presence of surface defects lowers the activation energy for hydrogen desorption from the surface.

This work presents the results of Finite Element Analyses (FEA) used to simulate sliding contact in two (2D) and three dimensions (3D) between two interfering elasto-plastic bodies. Cylinders are used to model sliding contact in 2D, simplified by the assumption of plane strain. Sliding is studied between two cylinders modeled with material properties of steel, and separately with a Glidcop cylinder sliding over an Al 6061-T651 cylinder. All materials are modeled as elastic-perfectly plastic and follow the von Mises yield criterion. Both frictionless as well as frictional sliding are investigated. The FEA results in trends in the deformation, reaction forces, stresses, and net energy loss as a function of sliding distance. All these results are found to be related to the magnitude of vertical interference. This work shows that for the plastic loading cases of frictionless sliding, the ratio of the vertical force to the horizontal reaction force is not zero at the point where the bodies are perfectly aligned about the vertical axis. This work also presents empirical equations that relate the net energy loss due to sliding under an elasto-plastic deformation as a function of the sliding distance. In addition, a load ratio of the horizontal reaction force to the vertical one is defined for frictionless sliding. Although this is analogous to the common definition of the coefficient of friction between sliding surfaces, it just contains the effect of energy loss in plasticity. The contact dimensions are obtained for different vertical interferences as sliding progresses. Comparisons are drawn between the FEA results of frictional and frictionless sliding. 3D modeling has been initiated to yield similar result parameters.

Pedicle screw-rod instrumentation is considered a standard treatment for spinal instability, and titanium is the most common material for this application. Cobalt-chromium has several advantages over titanium and is generating interest in orthopedic practice. The aim of this study was to compare titanium versus cobalt-chromium rods in posterior fusion, with and without transverse connectors, through in vitro biomechanical testing and determine the optimal configuration. Six cadaveric lumbar spines (L1-S1) were used. Posterior and middle column injuries were simulated at L3-L5 and different pedicle screw constructs were implanted. Specimens were subjected to flexibility tests and range of motion, intradiscal pressure and axial rotation energy loss were statistically compared among the following conditions: intact, titanium rods (without transverse connectors), titanium rods with transverse connectors, cobalt-chromium rods (without transverse connectors) and cobalt-chromium rods with transverse connectors. The novel measurement of energy loss was examined to determine its viability in fusion investigations. All fusion constructs significantly (p0.05) were observed in axial rotation among all conditions. Intradiscal pressure significantly increased (p≤0.01) after fusion, except for the cobalt-chrome conditions in extension (p≥0.06), and no significant differences (p>0.99) were found among fixation constructs. Energy loss, differences became significant between the cobalt-chrome with transverse connector condition with respect to the cobalt-chrome (p=0.05) and titanium (p There is not enough evidence to support that the cobalt-chrome rods performed biomechanically different than the titanium rods. The use of titanium rods may be more beneficial because there is a lower probability of corrosion. The inclusion of the transverse connector only increased stability for the cobalt-chromium construct in axial rotation, which suggests that it is beneficial in complete facetectomy procedures.

The dosimetric properties of fast-neutron beams with energies ≤80 MeV were explored using Monte Carlo techniques. Taking into account transport of all relevant types of released charged particles (electrons, protons, deuterons, tritons, 3He and α particles) pencil-beam dose distributions were derived and used to calculate absorbed dose distributions. Broad-beam depth doses in phantoms of different materials were calculated and compared and the scaling factors required for converting absorbed dose in one material to absorbed dose in another derived. The scaling factors were in good agreement with available published data and show that water is a good substitute for soft tissue even at neutron energies as high as 80 MeV. The inherent penumbra and the fraction of absorbed dose due to photon interactions were also studied, and found to be consistent with measured values reported in the literature. Treatment planning in fast-neutron therapy is commonly performed using dose calculation algorithms designed for photon beam therapy. When applied to neutron beams, these algorithms have limitations arising from the physical models used. Monte Carlo derived neutron pencil-beam kernels were parameterized and implemented in the photon dose calculation algorithms of the TMS (MDS Nordion) treatment planning system. It was shown that these algorithms yield good results in homogeneous water media. However, the method used to calculate heterogeneity corrections in the photon dose calculation algorithm did not yield correct results for neutron beams in heterogeneous media. To achieve results with adequate accuracy using Monte Carlo simulations, fundamental cross-section data are needed. Neutron cross-sections are still not sufficiently well known. At the The Svedberg Laboratory in Uppsala, Sweden, an experimental facility has been designed to measure neutron-induced charged-particle production cross-sections for (n,xp), (n,xd), (n,xt), (n,x3He) and (n,xα) reactions at neutron energies up to 100 MeV. Depending on neutron energy, these generated particles account for up to 90% of the absorbed dose. In experimental determination of the cross-sections, measured data have to be corrected for the energies lost by the charged particles before leaving the target in which they were generated. To correct for the energy-losses, a computational code (CRAWL) was developed. It uses a stripping method. With the limitation of reduced energy resolution, spectra derived using CRAWL compares well with those derived using other methods. In fast-neutron therapy, the relative biological effectiveness (RBE) varies from 1.5 to 5, depending on neutron energy, dose level and biological end-point. LET and other physical quantities, developed within the field of microdosimetry over the past couple of decades, have been used to describe RBE variations between different fast-neutron beams as well as within a neutron irradiated body. In this work, a Monte Carlo code (SHIELD-HIT) capable of transporting all charged particles contributing to absorbed dose, was used to calculate energy-differential charged particle spectra. Using these spectra, values of the RBE related quantities LD, γD, γ* and R were derived and studied as function of neutron energy, phantom material and position in a phantom. Reasonable agreement with measured data in the literature was found and indicates that the quantities may be used to predict RBE variations in an arbitrary fast-neutron beam.

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This thesis is comprised of two closely related studies of fullerenes. The first part is an investigation of C60 and C70 nanocrystals using both experimental and simulated electron energy loss (EEL) spectra. Through a detailed comparison of particular features in EEL spectra collected from these materials in a transmission electron microscope, with simulated spectra, it is established that differences in spectra from different materials can be linked to particular aspects of the structural models. For example, in the case of C60 differences in experimental spectra from different samples can be linked to differences in the bond lengths within the molecules of different samples. In the case of C70, it is found that features within the spectrum which have previously been attributed to the ten equatorial atoms do not have this origin in a crystal. The second part is an experimental investigation of endohedral fullerenes Nd@C82 and Sc3N@C80. The effect of temperature on the EEL spectrum is investigated and, in the case of Nd@C82, the effect of the presence of different isomers is also investigated. Spectra are successfully obtained from the encapsulated atoms, and the importance of careful experiments in terms of avoiding contamination is highlighted.

This thesis explores the theory describing wavefunctions and images, both elastic and inelastic, formed in scanning transmission electron microscopy. / A method is presented for calculating the elastic wavefunction based upon a new formulation of the boundary conditions which couples the probe to Bloch states within the crystal in a single step. Though this method is fundamentally equivalent to previous approaches based upon the superposition of wavefunctions corresponding to individual plane wave components in the incident probe, it provides new insight into the some of the dynamics, allows for efficient calculations, and proves useful for demonstrating well known results such as reciprocity relations. A formal inversion technique is also presented that uses a collection of diffraction plane data in scanning transmission electron microscopy to reconstruct the object potential, even in the presence of strong multiple scattering. / The new form of the boundary conditions allows for a generalization of a crosssection expression for calculating inelastic images, making use of the theory of mixed dynamic form factors. This enables the simulation of images for a range of inelastic mechanisms, including thermal scattering, used to simulate high-angle annular dark field imaging, and inner-shell ionization, used to simulate electron energy loss spectroscopy images. A multislice form of this expression is given. Selection between the methods can thus be based on the sample of interest: the Bloch wave method is very efficient when the sample is crystalline; the multislice method is more appropriate if the sample lacks periodicity. / The issue of cross-talk, where dynamical probe spreading may result in a signal containing contributions from several columns and therefore confound direct interpretation, is assessed for high-angle annular dark field imaging. Single atom images are simulated to provide an estimate of the localization of signal in electron energy loss spectroscopy, and confirm that the limitations of probe size generally outweigh those of the nature of the ionization interaction. The feasibility of column-by-column spectroscopic identification is demonstrated through a combination of experimental data and supporting calculations. Data demonstrating the location and spectroscopic identification of a single impurity atom in the bulk are supported by simulation and it is demonstrated that a quantitative comparison can offer further useful information: an estimate for the depth of the impurity. / The contribution to electron energy loss spectroscopy images from electrons which have undergone thermal scattering prior to causing an inner-shell ionization event is assessed. It is concluded that this contribution is significant in strongly scattering specimens imaged using fine probes. It will be necessary to include this contribution if quantitative comparisons are to be made.