Molecular dynamics simulation of brittle fracture in silicon

The fracture process involves converting potential energy from a strained body into surface energy, thermal energy, and the energy needed to create lattice defects. In dynamic fracture, energy is also initially converted into kinetic energy. This paper uses molecular dynamics (MD) to simulate brittle frcture in silicon and determine how energy is converted from potential energy (strain energy) into other forms.

Error-correcting codes on a Bethe-like lattice

We analyse Gallager codes by employing a simple mean-field approximation that distorts the model geometry and preserves important interactions between sites. The method naturally recovers the probability propagation decoding algorithm as a minimization of a proper free-energy. We find a thermodynamical phase transition that coincides with information theoretical upper-bounds and explain the practical code performance in terms of the free-energy landscape.

Lattice approach to the dynamics of phase-coded soliton trains

We address the collective dynamics of a soliton train propagating in a medium described by the nonlinear Schrödinger equation. Our approach uses the reduction of train dynamics to the discrete complex Toda chain (CTC) model for the evolution of parameters for each train constituent: such a simplification allows one to carry out an approximate analysis of the dynamics of positions and phases of individual interacting pulses. Here, we employ the CTC model to the problem which has relevance to the field of fibre optics communications where each binary digit of transmitted information is encoded via the phase difference between the two adjacent solitons. Our goal is to elucidate different scenarios of the train distortions and the subsequent information garbling caused solely by the intersoliton interactions. First, we examine how the structure of a given phase pattern affects the initial stage of the train dynamics and explain the general mechanisms for the appearance of unstable collective soliton modes. Then we further discuss the nonlinear regime concentrating on the dependence of the Lax scattering matrix on the input phase distribution; this allows one to classify typical features of the train evolution and determine the distance where the soliton escapes from its slot. In both cases, we demonstrate deep mathematical analogies with the classical theory of crystal lattice dynamics.

Visual field defects in Alzheimer's disease patients may reflect differential pathology in the primary visual cortex

The aim of this study was to test the hypothesis that differences in density of senile plaques (SP) and neurofibrillary tangles (NFT) in the cuneal and lingual gyri of area V1 of the visual cortex could explain the predominantly inferior visual field defects seen in patients with Alzheimer's disease (AD). The density of SP and NFT was measured in the cuneal and lingual gyri of 18 AD patients. In 7/18 (39%) patients, the density of SP and/or NFT was significantly greater in the cuneal compared with the lingual gyri. In 3/18 (17%) patients, densities were greater in the lingual than the cuneal gyri and in 8/18 (44%) patients there were no significant differences among gyri. The data suggest that pathological differences between cuneal and lingual gyri could contribute to the reported visual field defects in some AD patients.

Collective behaviour in a square lattice of driven Duffing resonators coupled to van der Pol oscillators

The global and local synchronisation of a square lattice composed of alternating Duffing resonators and van der Pol oscillators coupled through displacement is studied. The lattice acts as a sensing device in which the input signal is characterised by an external driving force that is injected into the system through a subset of the Duffing resonators. The parameters of the system are taken from MEMS devices. The effects of the system parameters, the lattice architecture and size are discussed.

Origin of the ESR spectrum in the Prussian Blue analogue RbMn[Fe(CN)6]*H2O

We present an ESR study at excitation frequencies of 9.4 GHz and 222.4 GHz of powders and single crystals of a Prussian Blue analogue (PBA), RbMn[Fe(CN)6]*H2O in which Fe and Mn undergoes a charge transfer transition between 175 and 300 K. The ESR of PBA powders, also reported by Pregelj et al. (JMMM, 316, E680 (2007)) is assigned to cubic magnetic clusters of Mn2+ ions surrounding Fe(CN)6 vacancies. The clusters are well isolated from the bulk and are superparamagnetic below 50 K. In single crystals various defects with lower symmetry are also observed. Spin-lattice relaxation broadens the bulk ESR beyond observability. This strong spin relaxation is unexpected above the charge transfer transition and is attributed to a mixing of the Mn3+ - Fe2+ state into the prevalent Mn2+ - Fe3+ state.

A preliminary study into emergent behaviours in a lattice of interacting nonlinear resonators and oscillators

Future sensor arrays will be composed of interacting nonlinear components with complex behaviours with no known analytic solutions. This paper provides a preliminary insight into the expected behaviour through numerical and analytical analysis. Specically, the complex behaviour of a periodically driven nonlinear Duffing resonator coupled elastically to a van der Pol oscillator is investigated as a building block in a 2D lattice of such units with local connectivity. An analytic treatment of the 2-device unit is provided through a two-time-scales approach and the stability of the complex dynamic motion is analysed. The pattern formation characteristics of a 2D lattice composed of these units coupled together through nearest neighbour interactions is analysed numerically for parameters appropriate to a physical realisation through MEMS devices. The emergent patterns of global and cluster synchronisation are investigated with respect to system parameters and lattice size.

Studies of the effects of molecular encounters on N.M.R. spin-lattice relaxation times

This thesis is concerned with investigations of the effects of molecular encounters on nuclear magnetic resonance spin-lattice relaxation times, with particular reference to mesitylene in mixtures with cyclohexane and TMS. The purpose of the work was to establish the best theoretical description of T1 and assess whether a recently identified mechanism (buffeting), that influences n.m.r. chemical shifts, governs Tl also. A set of experimental conditions are presented that allow reliable measurements of Tl and the N. O. E. for 1H and 13C using both C. W. and F.T. n.m.r. spectroscopy. Literature data for benzene, cyclohexane and chlorobenzene diluted by CC14 and CS2 are used to show that the Hill theory affords the best estimation of their correlation times but appears to be mass dependent. Evaluation of the T1 of the mesitylene protons indicates that a combined Hill-Bloembergen-Purcell-Pound model gives an accurate estimation of T1; subsequently this was shown to be due to cancellation of errors in the calculated intra and intemolecular components. Three experimental methods for the separation of the intra and intermolecular relaxation times are described. The relaxation times of the 13C proton satellite of neat bezene, 1,4 dioxane and mesitylene were measured. Theoretical analyses of the data allow the calculation of Tl intra. Studies of intermolecular NOE's were found to afford a general method of separating observed T1's into their intra and intermolecular components. The aryl 1H and corresponding 13C T1 values and the NOE for the ring carbon of mesitylene in CC14 and C6H12-TMS have been used in combination to determine T1intra and T1inter. The Hill and B.P.P. models are shown to predict similarly inaccurate values for T1linter. A buffeting contribution to T1inter is proposed which when applied to the BPP model and to the Gutowsky-Woessner expression for T1inter gives an inaccuracy of 12% and 6% respectively with respect to theexperimentally based T1inter.

Defects in steel investment castings

A general investigation was performed, in an industrial environment, of the major types of defect specific to investment castings in steel. As a result of this work three types of metallurgical defect were selected for further study. In the first of these, defects in austenitic stainless steel castings were found to result from deoxidation by-products. As a result of metallographic investigation and the statistical analysis of experimental data, evidence was found to support the hypothesis that the other two classes of defects - in martensite stainless and low alloy steels -both resulted from internal or grain boundary oxidation of the chromium alloy constituent This was often found to be followed by reaction between the metal oxides and the ceramic mould material. On the basis of this study, proposals are made for a more fundamental investigation of the mechanisms involved and interim suggestions are given for methods of ameliorating the effect in an industrial situation.

Fatigue crack initiation and propagation from defects in aluminium welds

Fatigue crack initiation and propagation in aluminium butt welds has been investigated. It is shown that the initiation of cracks from both buried defects and. from the weld reinforcement may be quantified by predictive laws based on either linear elastic fracture mechanics, or on Neuber's rule of stress and strain ooncentrations. The former is preferable on the grounds of theoretical models of crack tip plasticity, although either may be used as the basis of an effeotive design criteria against crack initiation. Fatigue lives fol1owing initiation were found to follow predictions based on the integration of a Paris type power law. The effect of residual stresses from the welding operation on both initiation and propagation was accounted for by a Forman type equation. This incorporated the notional stress ratio produced by the residual stresses after various heat treatments. A fracture mechanics analysis was found to be useful in describing the fatigue behaviour of the weldments at increased temperatures up to 300°C. It is pointed out, however, that the complex interaction of residual stresses, frequency, and changes in fracture mode necessitate great caution in the application of any general design criteria against crack initiation and growth at elevated. temperatures.

Investigation into visual defects attributed to Vigabatrin

Vigabatrin (VGB) is a transaminase inhibitor that elicits its anitepileptic effect by increasing GABA concentrations in the brain and retina. - Assess whether certain factors predispose patients to develop severe visual field loss. - Develop a sensitive algorithm for investigating the progression of visual field loss. - Determine the most sensitive clinical regimen for diagnosing VGB-attributed visual field loss. - Investigate whether the reports of central retinal sparing are accurate. The investigations have resulted in a number of significant findings: - The anatomical evidence in combination with the pattern of visual field loss suggests that the damage induced by VGB therapy occurs at retinal level, and is most likely a toxic effect. - The quantitative algorithm, designed within the course of this investigation, provided increased sensitivity in determining the severity of visual field loss. - Maximum VGB dose predisposes patients to develop severe visual field loss. - The SITA Standard algorithm was found to be as sensitive and significantly faster, in diagnosing visual field defects attributed to VGB, when compared to the Full Threshold algorithm. The Full Threshold was found to be the most repeatable between visits. - The normal SWAP 10-2 database provided an effective method of differentiating SWAP defects. - SWAP, FDT and the mfERG have increased sensitivity in detecting visual field loss attributed to VGB. The pattern of visual field loss from these investigations suggests that VGB produces a diffuse effect across the retina including subtle central abnormalities and more severe peripheral defects. - Abnormalities detected using the mfERG have suggested that VGB adversely affects the photoreceptors Müller, amacrine and ganglion cells in the retina. An urgent review of the manufacturers recommended maximum dose for VGB is required.