Supporting public decision making in policy deliberations: An ontological approach

This is the post-print version of the Paper. The official published version can be accessed from the link below - Copyright @ 2011 SpringerSupporting public decision making in policy deliberations has been a key objective of eParticipation which is an emerging area of eGovernment. EParticipation aims to enhance citizen involvement in public governance activities through the use of information and communication technologies. An innovative approach towards this objective is exploiting the potentials of semantic web technologies centred on conceptual knowledge models in the form of ontologies. Ontologies are generally defined as explicit human and computer shared views on the world of particular domains. In this paper, the potentials and benefits of using ontologies for policy deliberation processes are discussed. Previous work is then extended and synthesised to develop a deliberation ontology. The ontology aims to define the necessary semantics in order to structure and interrelate the stages and various activities of deliberation processes with legal information, participant stakeholders and their associated arguments. The practical implications of the proposed framework are illustrated.This work is funded by the European Commission under the 2006/1 eParticipation call

XY Spin Fluid in an External Magnetic Field

A method of integral equations is developed to study inhomogeneous fluids with planar spins in an external field. As a result, the calculations for these systems appear to be no more difficult than those for ordinary homogeneous liquids. The approach proposed is applied to the ferromagnetic XY spin fluid in a magnetic field using a soft mean spherical closure and the Born-Green-Yvon equation. This provides an accurate reproduction of the complicated phase diagram behavior obtained by cumbersome Gibbs ensemble simulation and multiple histogram reweighting techniques.Comment: 4 pages, 3 figures, submitted to Phys. Rev. Let

On the Wang-Landau Method for Off-Lattice Simulations in the "Uniform" Ensemble

We present a rigorous derivation for off-lattice implementations of the so-called "random-walk" algorithm recently introduced by Wang and Landau [PRL 86, 2050 (2001)]. Originally developed for discrete systems, the algorithm samples configurations according to their inverse density of states using Monte-Carlo moves; the estimate for the density of states is refined at each simulation step and is ultimately used to calculate thermodynamic properties. We present an implementation for atomic systems based on a rigorous separation of kinetic and configurational contributions to the density of states. By constructing a "uniform" ensemble for configurational degrees of freedom--in which all potential energies, volumes, and numbers of particles are equally probable--we establish a framework for the correct implementation of simulation acceptance criteria and calculation of thermodynamic averages in the continuum case. To demonstrate the generality of our approach, we perform sample calculations for the Lennard-Jones fluid using two implementation variants and in both cases find good agreement with established literature values for the vapor-liquid coexistence locus.Comment: 21 pages, 4 figure

Crowding of Polymer Coils and Demixing in Nanoparticle-Polymer Mixtures

The Asakura-Oosawa-Vrij (AOV) model of colloid-polymer mixtures idealizes nonadsorbing polymers as effective spheres that are fixed in size and impenetrable to hard particles. Real polymer coils, however, are intrinsically polydisperse in size (radius of gyration) and may be penetrated by smaller particles. Crowding by nanoparticles can affect the size distribution of polymer coils, thereby modifying effective depletion interactions and thermodynamic stability. To analyse the influence of crowding on polymer conformations and demixing phase behaviour, we adapt the AOV model to mixtures of nanoparticles and ideal, penetrable polymer coils that can vary in size. We perform Gibbs ensemble Monte Carlo simulations, including trial nanoparticle-polymer overlaps and variations in radius of gyration. Results are compared with predictions of free-volume theory. Simulation and theory consistently predict that ideal polymers are compressed by nanoparticles and that compressibility and penetrability stabilise nanoparticle-polymer mixtures.Comment: 18 pages, 4 figure

Coexistence and Criticality in Size-Asymmetric Hard-Core Electrolytes

Liquid-vapor coexistence curves and critical parameters for hard-core 1:1 electrolyte models with diameter ratios lambda = sigma_{-}/\sigma_{+}=1 to 5.7 have been studied by fine-discretization Monte Carlo methods. Normalizing via the length scale sigma_{+-}=(sigma_{+} + sigma_{-})/2 relevant for the low densities in question, both Tc* (=kB Tc sigma_{+-}/q^2 and rhoc* (= rhoc sigma _{+-}^{3}) decrease rapidly (from ~ 0.05 to 0.03 and 0.08 to 0.04, respectively) as lambda increases. These trends, which unequivocally contradict current theories, are closely mirrored by results for tightly tethered dipolar dimers (with Tc* lower by ~ 0-11% and rhoc* greater by 37-12%).Comment: 4 pages, 5 figure

Universality class of criticality in the restricted primitive model electrolyte

The 1:1 equisized hard-sphere electrolyte or restricted primitive model has been simulated via grand-canonical fine-discretization Monte Carlo. Newly devised unbiased finite-size extrapolation methods using temperature-density, (T, rho), loci of inflections, Q = ^2/ maxima, canonical and C_V criticality, yield estimates of (T_c, rho_c) to +- (0.04, 3)%. Extrapolated exponents and Q-ratio are (gamma, nu, Q_c) = [1.24(3), 0.63(3); 0.624(2)] which support Ising (n = 1) behavior with (1.23_9, 0.630_3; 0.623_6), but exclude classical, XY (n = 2), SAW (n = 0), and n = 1 criticality with potentials phi(r)>Phi/r^{4.9} when r \to \infty

Thermodynamics of Electrolytes on Anisotropic Lattices

The phase behavior of ionic fluids on simple cubic and tetragonal (anisotropic) lattices has been studied by grand canonical Monte Carlo simulations. Systems with both the true lattice Coulombic potential and continuous-space $1/r$ electrostatic interactions have been investigated. At all degrees of anisotropy, only coexistence between a disordered low-density phase and an ordered high-density phase with the structure similar to ionic crystal was found, in contrast to recent theoretical predictions. Tricritical parameters were determined to be monotonously increasing functions of anisotropy parameters which is consistent with theoretical calculations based on the Debye-H\"uckel approach. At large anisotropies a two-dimensional-like behavior is observed, from which we estimated the dimensionless tricritical temperature and density for the two-dimensional square lattice electrolyte to be $T^*_{tri}=0.14$ and $\rho^*_{tri} = 0.70$.Comment: submitted to PR

Identifying The Pattern of Material Loss at the Head-Neck Junction Wear Helps Determine the Mechanism of Failure of Metal on Metal Total Hip Replacements

Material loss at the Head-Neck junction accounts for a third of the total volume material loss in contemporary metal-on-metal total hip replacements. It is speculated that the material loss is the result of corrosion and mechanical wear (fretting). High volumes of material loss have been reported, especially from the head taper. There is only one report on characterizing the pattern of material loss and this was in a very small number of cases (n=5). Our aim was to identify the different material loss patterns at the head taper and their corresponding mechanisms We retrospectively analysed a series of retrieved Large Head Metal on Metal Total Hip Replacements (155 cups, 155 femoral heads and 4 stems). We measured material loss on the bearing surfaces and the head-neck junction using well-published metrology methods. Furthermore we collected patient (age, gender and time of primary/revision operations), pre-revision (cobalt and chromium blood metal ion, oxford hip score, cup orientation and implant position) implant (cup and head size, manufacturer and corrosion severity) data. Finally we used surface analysis techniques (microscopy and spectroscopy) to identify fretting, imprinting and the material composition of debris. We devised a novel four-group classification and two blinded engineers classified the material loss patterns using wear maps derived from the metrology analysis We observed four distinct patterns of taper surface material loss at our retrieval centre and we set out to characterize these types and relate them to patient, implant and clinical variables. The four groups of material loss patterns were defined as: (1) Low wear (n= 63), (2) Open-end band (n=32), (3) Stripped material loss (n=54) and (4) Coup-Countercoup (n=6) (Figure). The Interobserver Reliability Kappa score was 0.78 (p<0.001) indicating substantial agreement between the two examiners. Analysis of variables between the groups identified significantly different head sizes (highest: Group 2, p=0.000), corrosion severity (highest: Group 2, p=0.004) and time to revision (highest: Group 3, p=0.040). We identified four different material loss patterns each with its own mechanism. Corrosion was identified as the principal mechanism in Groups 1 and 3. Group 1 head-neck junctions are thought to have a better seal with less fluid ingress in the junction. Group 3 head-neck junctions are attacked by corrosion either circumferentially, or unilaterally, along the whole engagement length. Mechanically assisted corrosion was the principal mechanism in Group 2. The higher friction torque opens up the open-end part of the junction and the ingressing fluid accelerates the corrosion. Extensive fretting was also observed under the scanning electron microscope. Intra-operative surgical damage was identified as the principal mechanism in Group 4, with only 6 components. The patterns and the mechanisms of material loss at the head-neck junction contribute to the understanding of large head metal-on-metal hip replacements. As a result, better implants can be designed in the future. Clinically, these findings suggest that head size and head taper-trunnion fit are the main factors that determine the longevity of the head-neck junction. On the other hand, patients selection does not influence the integrity of the junction

Dipolar origin of the gas-liquid coexistence of the hard-core 1:1 electrolyte model

We present a systematic study of the effect of the ion pairing on the gas-liquid phase transition of hard-core 1:1 electrolyte models. We study a class of dipolar dimer models that depend on a parameter R_c, the maximum separation between the ions that compose the dimer. This parameter can vary from sigma_{+/-} that corresponds to the tightly tethered dipolar dimer model, to R_c --> infinity, that corresponds to the Stillinger-Lovett description of the free ion system. The coexistence curve and critical point parameters are obtained as a function of R_c by grand canonical Monte Carlo techniques. Our results show that this dependence is smooth but non-monotonic and converges asymptotically towards the free ion case for relatively small values of R_c. This fact allows us to describe the gas-liquid transition in the free ion model as a transition between two dimerized fluid phases. The role of the unpaired ions can be considered as a perturbation of this picture.Comment: 16 pages, 13 figures, submitted to Physical Review