Free energy and molecular dynamics calculations for the cubic-tetragonal phase transition in zirconia

The high-temperature cubic-tetragonal phase transition of pure stoichiometric zirconia is studied by molecular dynamics (MD) simulations and within the framework of the Landau theory of phase transformations. The interatomic forces are calculated using an empirical, self-consistent, orthogonal tight-binding model, which includes atomic polarizabilities up to the quadrupolar level. A first set of standard MD calculations shows that, on increasing temperature, one particular vibrational frequency softens. The temperature evolution of the free-energy surfaces around the phase transition is then studied with a second set of calculations. These combine the thermodynamic integration technique with constrained MD simulations. The results seem to support the thesis of a second-order phase transition but with unusual, very anharmonic behavior above the transition temperature.

An experiment for two-color photoionization using high intensity extreme-UNT free electron and near-IR laser pulses

We describe an experimental system designed for single-shot photoelectron spectroscopy on free atoms and molecules at the Free Electron Laser in Hamburg (FLASH at DESY). The combination of the extreme ultra-violet (EUV) Free Electron Laser and a temporally synchronized optical fs laser (Ti:Sapphire) enables a variety of two-color pump-probe experiments. The spectral, temporal and spatial characteristics of both the EUV FEL and the optical laser pulses, the experimental procedure to control their overlap as well as the performance of an electron spectrometer used to obtain single-shot photoelectron spectra are discussed. As an illustration of the capabilities of this set-up, some results on two-photon two-color ionization of rare gases are presented. (c) 2007 Elsevier B.V. All rights reserved.

Entanglement generation and protection by detuning modulation

We introduce a protocol for steady-state entanglement generation and protection based on detuning modulation in the dissipative interaction between a two-qubit system and a bosonic mode. The protocol is a global-addressing scheme which only requires control over the system as a whole. We describe a postselection procedure to project the register state onto a subspace of maximally entangled states. We also outline how our proposal can be implemented in a circuit-quantum electrodynamics setup.

History of Child Welfare and Protection Social Work in Northern Ireland: Finding Continuity amongst Discontinuity in Case Files from 1950-1968

This article reports on research carried out on 200 child welfare files from the largest welfare authority in Northern Ireland from 1950-1968. The literature review provides a commentary on some of the major debates surrounding child welfare and protection social work from the perspective of its historical development. The report of the research which follows offers an insight into one core, and less well-known period of child welfare history in Northern Ireland between the two Children and Young Persons Acts (1950 & 1968). Using a method of discourse analysis influenced by Michel Foucault, a detailed description of the nature of practice is offered. This paper is offered as a work in progress, with further work being planned for dissemination of more detailed analysis of the method and outcomes. The research seeks to ask a few core questions based on problems identified in the present with our current understandings of child welfare and protection histories. While recognising the limitations of this study and the need for broader analysis of the wider context surrounding child welfare practice at the moment, it is argued that some salient conclusions can be drawn about continuity and discontinuity in practice which are of interest to practitioners and students of child welfare social work.