The Relation between Approximation in Distribution and Shadowing in Molecular Dynamics

Molecular dynamics refers to the computer simulation of a material at the atomic level. An open problem in numerical analysis is to explain the apparent reliability of molecular dynamics simulations. The difficulty is that individual trajectories computed in molecular dynamics are accurate for only short time intervals, whereas apparently reliable information can be extracted from very long-time simulations. It has been conjectured that long molecular dynamics trajectories have low-dimensional statistical features that accurately approximate those of the original system. Another conjecture is that numerical trajectories satisfy the shadowing property: that they are close over long time intervals to exact trajectories but with different initial conditions. We prove that these two views are actually equivalent to each other, after we suitably modify the concept of shadowing. A key ingredient of our result is a general theorem that allows us to take random elements of a metric space that are close in distribution and embed them in the same probability space so that they are close in a strong sense. This result is similar to the Strassen-Dudley Theorem except that a mapping is provided between the two random elements. Our results on shadowing are motivated by molecular dynamics but apply to the approximation of any dynamical system when initial conditions are selected according to a probability measure.Comment: 21 pages, final version accepted in SIAM Dyn Sy

Institutionalizing health impact assessment in London as a public health tool for increasing synergy between policies in other areas

Objectives: To describe the background to the inclusion of health impact assessment (HIA) in the development process for the London mayoral strategies, the HIA processes developed, how these evolved, and the role of HIA in identifying synergies between and conflicting priorities of different strategies.Study design: Case series.Methods: Early HIAs had just a few weeks for the whole HIA process. A rapid appraisal approach was developed. Stages included: scoping, reviewing published evidence, a stakeholder workshop, drafting a report, review of the report by the London Health Commission, and submission of the final report to the Mayor. The process evolved as more assessments were conducted. More recently, an integrated impact assessment (IIA) method has been developed that fuses the key aspects of this HIA method with sustainability assessment, strategic environmental assessment and equalities assessment.Results: Whilst some of the early strategy drafts encompassed some elements of health, health was not a priority. Conducting HIAs was important both to ensure that the strategies reflected health concerns and to raise awareness about health and its determinants within the Greater London Authority (GLA). HIA recommendations were useful for identifying synergies and conflicts between strategies. HIA can be successfully integrated into other impact assessment processes.Conclusions: The HIAs ensured that health became more integral to the strategies and increased understanding of determinants of health and how the GLA impacts on health and health inequalities. Inclusion of HIA within IIA ensures that health and health inequalities impacts are considered robustly within statutory impact assessments. (C) 2010 The Royal Society for Public Health. Published by Elsevier Ltd. All rights reserved

Ion yields and erosion rates for Si1−xGex(0x1) ultralow energy O2+ secondary ion mass spectrometry in the energy range of 0.25–1 keV

We report the SIMS parameters required for the quantitative analysis of Si1−xGex across the range of 0 ≤ x ≤ 1 when using low energy O2+ primary ions at normal incidence. These include the silicon and germanium secondary ion yield [i.e., the measured ion signal (ions/s)] and erosion rate [i.e., the speed at which the material sputters (nm/min)] as a function of x. We show that the ratio Rx of erosion rates, Si1−xGex/Si, at a given x is almost independent of beam energy, implying that the properties of the altered layer are dominated by the interaction of oxygen with silicon. Rx shows an exponential dependence on x. Unsurprisingly, the silicon and germanium secondary ion yields are found to depart somewhat from proportionality to (1−x) and x, respectively, although an approximate linear relationship could be used for quantification across around 30% of the range of x (i.e., a reference material containing Ge fraction x would give reasonably accurate quantification across the range of ±0.15x). Direct comparison of the useful (ion) yields [i.e., the ratio of ion yield to the total number of atoms sputtered for a particular species (ions/atom)] and the sputter yields [i.e., the total number of atoms sputtered per incident primary ion (atoms/ions)] reveals a moderate matrix effect where the former decrease monotonically with increasing x except at the lowest beam energy investigated (250 eV). Here, the useful yield of Ge is found to be invariant with x. At 250 eV, the germanium ion and sputter yields are proportional to x for all x

Apparent movement phenomena on CRT displays - Threshold determinations of apparent movements of pulsed light sources

Apparent movement phenomena on cathode ray tube displays - threshold determinations of apparent movements of pulsed light source

Collisions of boosted black holes: perturbation theory prediction of gravitational radiation

We consider general relativistic Cauchy data representing two nonspinning, equal-mass black holes boosted toward each other. When the black holes are close enough to each other and their momentum is sufficiently high, an encompassing apparent horizon is present so the system can be viewed as a single, perturbed black hole. We employ gauge-invariant perturbation theory, and integrate the Zerilli equation to analyze these time-asymmetric data sets and compute gravitational wave forms and emitted energies. When coupled with a simple Newtonian analysis of the infall trajectory, we find striking agreement between the perturbation calculation of emitted energies and the results of fully general relativistic numerical simulations of time-symmetric initial data.Comment: 5 pages (RevTex 3.0 with 3 uuencoded figures), CRSR-107

Exploring the Design of Pay-Per-Use Objects in the Construction Domain

Equipment used in the construction domain is often hired in order to reduce cost and maintenance overhead. The cost of hire is dependent on the time period involved and does not take into account the actual use equipment has received. This paper presents our initial investigation into how physical objects augmented with sensing and communication technologies can measure use in order to enable new pay-per-use payment models for equipment hire. We also explore user interaction with pay-per-use objects via mobile devices. The user interactions that take place within our prototype scenario range from simple information access to transactions involving multiple users. This paper presents the design, implementation and evaluation of a prototype pay-per-use system motivated by a real world equipment hire scenario. We also provide insights into the various challenges introduced by supporting a pay-per-use model, including data storage and data security in addition to user interaction issues

Collision of spinning black holes in the close limit

In this paper we consider the collision of spinning holes using first order perturbation theory of black holes (Teukolsky formalism). With these results (along with ones, we published in the past) one can predict the properties of the gravitational waves radiated from the late stage inspiral of two spinning, equal mass black holes. Also we note that the energy radiated by the head-on collision of two spinning holes with spins (that are equal and opposite) aligned along the common axis is more than the case in which the spins are perpendicular to the axis of the collision.Comment: 6 pages, 3 figures, submitted to PR

Direct observation of a highly spin-polarized organic spinterface at room temperature

The design of large-scale electronic circuits that are entirely spintronics-driven requires a current source that is highly spin-polarised at and beyond room temperature, cheap to build, efficient at the nanoscale and straightforward to integrate with semiconductors. Yet despite research within several subfields spanning nearly two decades, this key building block is still lacking. We experimentally and theoretically show how the interface between Co and phthalocyanine molecules constitutes a promising candidate. Spin-polarised direct and inverse photoemission experiments reveal a high degree of spin polarisation at room temperature at this interface. We measured a magnetic moment on the molecules's nitrogen pi orbitals, which substantiates an ab-initio theoretical description of highly spin-polarised charge conduction across the interface due to differing spinterface formation mechanims in each spin channel. We propose, through this example, a recipe to engineer simple organic-inorganic interfaces with remarkable spintronic properties that can endure well above room temperature