Multiple jumps and vacancy diffusion in a face-centered cubic metal

The diffusion of monovacancies in gold has been studied by computer simulation. Multiple jumps have been found to play a central role in the atomic dynamics at high temperature, and have been shown to be responsible for an upward curvature in the Arrhenius plot of the diffusion coefficient. Appropriate saddle points on the potential energy surface have been found, supporting the interpretation of vacancy multiple jumps as distinct migration mechanisms.Comment: 16 page

Definition and evolution of quantum cellular automata with two qubits per cell

Studies of quantum computer implementations suggest cellular quantum computer architectures. These architectures can simulate the evolution of quantum cellular automata, which can possibly simulate both quantum and classical physical systems and processes. It is however known that except for the trivial case, unitary evolution of one-dimensional homogeneous quantum cellular automata with one qubit per cell is not possible. Quantum cellular automata that comprise two qubits per cell are defined and their evolution is studied using a quantum computer simulator. The evolution is unitary and its linearity manifests itself as a periodic structure in the probability distribution patterns.Comment: 13 pages, 4 figure

The Lueders Postulate and the Distinguishability of Observables

The Lueders postulate is reviewed and implications for the distinguishability of observables are discussed. As an example the distinguishability of two similar observables for spin-1/2 particles is described. Implementation issues are briefly analyzed.Comment: Submitted to the proceedings of ICFNCS, Hong Kong, 200

Effect of Al on the sharpness of the MgSiO_3 perovskite to post-perovskite phase transition

By means of static ab-initio computations we investigate the influence of Al on the recently discovered perovskite to post-perovskite phase transition in MgSiO_3. We examine three substitution mechanisms for Al in the two structures: MgSi → AlAl; SiSiO → AlAl□; and Si → AlH. The substitutions introducing oxygen vacancies (highly unfavorable, energetically) and water (favorable) both lower the 0 Kelvin transition pressure, whereas charge coupled substitution increases it relative to 105 GPa for pure MgSiO_3. From the transition pressures for 0, 6.25, and 100 mol% charge coupled Al_2O_3 incorporation and simple solution theories, we estimate the phase diagram of Al-bearing MgSiO_3 at low Al concentrations. Assuming the Clapeyron slope is independent of Al concentration, we find the perovskite-to-post-perovskite transition region to span 127–140 GPa, at 6.25 mol% Al_2O_3. When the upper pressure limit is bounded by the core-mantle boundary, the phase coexistence region has width 150 km

Quasi-hermitian Quantum Mechanics in Phase Space

We investigate quasi-hermitian quantum mechanics in phase space using standard deformation quantization methods: Groenewold star products and Wigner transforms. We focus on imaginary Liouville theory as a representative example where exact results are easily obtained. We emphasize spatially periodic solutions, compute various distribution functions and phase-space metrics, and explore the relationships between them.Comment: Accepted by Journal of Mathematical Physic

General practitioner empathy, patient enablement, and patient-reported outcomes in primary care in an area of high socio-economic deprivation in Scotland - a pilot prospective study using structural equation modelling

<b>Objective</b> The aim of this pilot prospective study was to investigate the relationships between general practitioners (GPs) empathy, patient enablement, and patient-assessed outcomes in primary care consultations in an area of high socio-economic deprivation in Scotland.<p></p> <b>Methods</b> This prospective study was carried out in a five-doctor practice in an area of high socio-economic deprivation in Scotland. Patients’ views on the consultation were gathered using the Consultation and Relational Empathy (CARE) Measure and the Patient Enablement Instrument (PEI). Changes in main complaint and well-being 1 month after the contact consultation were gathered from patients by postal questionnaire. The effect of GP empathy on patient enablement and prospective change in outcome was investigated using structural equation modelling.<p></p> <b>Results</b> 323 patients completed the initial questionnaire at the contact consultation and of these 136 (42%) completed and returned the follow-up questionnaire at 1 month. Confirmatory factor analysis confirmed the construct validity of the CARE Measure, though omission of two of the six PEI items was required in order to reach an acceptable global data fit. The structural equation model revealed a direct positive relationship between GP empathy and patient enablement at contact consultation and a prospective relationship between patient enablement and changes in main complaint and well-being at 1 month.<p></p> <b>Conclusion</b> In a high deprivation setting, GP empathy is associated with patient enablement at consultation, and enablement predicts patient-rated changes 1 month later. Further larger studies are desirable to confirm or refute these findings.<p></p> <b>Practice implications</b> Ways of increasing GP empathy and patient enablement need to be established in order to maximise patient outcomes. Consultation length and relational continuity of care are known factors; the benefit of training and support for GPs needs to be further investigate