Resolution Limits in Full- and Limited-Angle Tomography

info:eu-repo/semantics/published

Surface physics at the nano-scale via scanning probe microscopy and molecular dynamics simulations

Probe-based scanning microscopes, such as the STM and the AFM, are used to obtain the topographical and electronic structure maps of material surfaces, and to modify their morphologies on nanoscopic scales. They have generated new areas of research in condensed matter physics and materials science. We will review some examples from the fields of experimental nano-mechanics, nano-electronics and nano-magnetism. These now form the basis of the emerging field of Nano-technology. A parallel development has been brought about in the field of Computational Nano-science, using quantum-mechanical techniques and computer-based numerical modelling, such as the Molecular Dynamics (MD) simulation method. We will report on the simulation of nucleation and growth of nano-phase films on supporting substrates. Furthermore, a theoretical modelling of the formation of STM images of metallic clusters on metallic substrates will also be discussed within the non-equilibrium Keldysh Green function method to study the effects of coherent tunnelling through different atomic orbitals in a tip-sample geometry.

Modelling and prototyping the conceptual design of 3D CMM micro-probe

This paper details the prototyping of a novel three axial micro probe based on utilisation of piezoelectric sensors and actuators for true three dimensional metrology and measurements at micro- and nanometre scale. Computational mechanics is used first to model and simulate the performance of the conceptual design of the micro-probe. Piezoelectric analysis is conducted to understand performance of three different materials - silicon, glassy carbon, and nickel - and the effect of load parameters (amplitude, frequency, phase angle) on the magnitude of vibrations. Simulations are also used to compare several design options for layout of the lead zirconium titanate (PZT) sensors and to identify the most feasible from fabrication point of view design. The material options for the realisation of the device have been also tested. Direct laser machining was selected as the primary means of production. It is found that a Yb MOPA based fiber laser was capable of providing the necessary precision on glassy carbon (GC), although machining trials on Si and Ni were less successful due to residual thermal effects.To provide the active and sensing elements on the flexures of the probe, PZT thick films are developed and deposited at low temperatures (Lt720 degC) allowing a high quality functional ceramic to be directly integrated with selected materials. Characterisation of the materials has shown that the film has a homogenous and small pore microstructure.

Electron energy-loss near-edge shape as a probe to investigate the stabilization of yttria-stabilized zirconia

The electron energy-loss near-edge structure (ELNES) at the O K edge has been studied in yttria-stabilized zirconia (YSZ). The electronic structure of YSZ for compositions between 3 and 15 mol % Y2O3 has been computed using a pseudopotential-based technique to calculate the local relaxations near the O vacancies. The results showed phase transition from the tetragonal to cubic YSZ at 10 mol % of Y2O3, reproducing experimental observations. Using the relaxed defect geometry, calculation of the ELNES was carried out using the full-potential linear muffin-tin orbital method. The results show very good agreement with the experimental O K-edge signal, demonstrating the power of using ELNES to probe the stabilization mechanism in doped metal oxides.

Triply differential single ionization cross sections in coplanar and non-coplanar geometry for fast heavy ion-atom collisions

We have performed a kinematically complete experiment and calculations on single ionization in 100 MeV/amu C6+ + He collisions. For electrons ejected into the scattering plane (defined by the initial and final projectile momentum vectors) our first- and higher-order calculations are in good agreement with the data. In the plane perpendicular to the scattering plane and containing the initial projectile axis a strong forward-backward asymmetry is observed. In this plane both the first-order and the higher-order calculations do not provide good agreement neither with the data nor amongst each other.

Positronium-atom collisions

New results are presented for Ps(1s) scattering by H(1s), He(1(1)S) and Li(2s). Calculations have been performed in a coupled state framework, usually employing pseudostates, and allowing for excitation of both the Ps and the atom. In the Ps(1s)-H(1s) calculations the H- formation channel has also been included using a highly accurate H- wave function. Resonances resulting from unstable states in which the positron orbits H- have been calculated and analysed. The new Ps(1s)-He(1(1)S) calculations still fail to resolve existing discrepancies between theory and experiment at very low energies. The possible importance of the Ps(-) formation channel in all three collision systems is discussed. (C) 2004 Elsevier B.V. All rights reserved.

Letter to the Editor: Calculation of photoionized plasmas with an average-atom model

We use a simple average-atom model (NIMP) to calculate the distribution of ionization in a photoionization-dominated plasma, for comparison with recent experimental measurements undertaken on the Z-machine at the Sandia National Laboratory. The agreement between theory and experiment is found to be as good for calculations with an average-atom model as for those generated by more detailed models.

Many-body theory of positron-atom interactions

A many-body theory approach is developed for the problem of positron-atom scattering and annihilation. Strong electron- positron correlations are included nonperturbatively through the calculation of the electron-positron vertex function. It corresponds to the sum of an infinite series of ladder diagrams, and describes the physical effect of virtual positronium formation. The vertex function is used to calculate the positron-atom correlation potential and nonlocal corrections to the electron-positron annihilation vertex. Numerically, we make use of B-spline basis sets, which ensures rapid convergence of the sums over intermediate states. We have also devised an extrapolation procedure that allows one to achieve convergence with respect to the number of intermediate- state orbital angular momenta included in the calculations. As a test, the present formalism is applied to positron scattering and annihilation on hydrogen, where it is exact. Our results agree with those of accurate variational calculations. We also examine in detail the properties of the large correlation corrections to the annihilation vertex.

Accurate computational methods for two-electron atom-laser interactions

We discuss the application of quantitatively accurate computational methods to the study of laser-driven two-electron atoms in short intense laser pulses. The fundamental importance of such calculations to the subject area is emphasized. Calculations of single- and double-electron ionization rates at 390 nm are presented. (C) 2001 Optical Society of America.