Modelling Discourse-related terminology in OntoLingAnnot’s ontologies

Recently, computational linguists have shown great interest in discourse annotation in an attempt to capture the internal relations in texts. With this aim, we have formalized the linguistic knowledge associated to discourse into different linguistic ontologies. In this paper, we present the most prominent discourse-related terms and concepts included in the ontologies of the OntoLingAnnot annotation model. They show the different units, values, attributes, relations, layers and strata included in the discourse annotation level of the OntoLingAnnot model, within which these ontologies are included, used and evaluated

Ab initio calculations of structures and stabilities of (NaI)_nNa+ and (CsI)_nCs+ cluster ions

Ab initio calculations using the Perturbed Ion model, with correlation contributions included, are presented for nonstoichiometric (NaI)_nNa+ and (CsI)_nCs+ (n=1-14) cluster ions. The ground state and several low-lying isomers are identified and described. Rocksalt ground states are common and appear at cluster sizes lower than in the corresponding neutral systems. The most salient features of the measured mobilities seem to be explained by arguments related to the changes of the compactness of the clusters as a function of size. The stability of the cluster ions against evaporation of a single alkali halide molecule shows variations that explain the enhanced stabilities found experimentally for cluster sizes n=4, 6, 9, and 13. Finally, the ionization energies and the orbital eigenvalue spectrum of two (NaI)_13Na+ isomers are calculated and shown to be a fingerprint of the structure.Comment: 8 pages plus 13 postscript figures, LaTeX. Accepted for publication in Phys, Rev. B; minor changes including a more complete comparison to pair potential result

Emergence of Bulk CsCl Structure in (CsCl)nCs+ Cluster Ions

The emergence of CsCl bulk structure in (CsCl)nCs+ cluster ions is investigated using a mixed quantum-mechanical/semiempirical theoretical approach. We find that rhombic dodecahedral fragments (with bulk CsCl symmetry) are more stable than rock-salt fragments after the completion of the fifth rhombic dodecahedral atomic shell. From this size (n=184) on, a new set of magic numbers should appear in the experimental mass spectra. We also propose another experimental test for this transition, which explicitely involves the electronic structure of the cluster. Finally, we perform more detailed calculations in the size range n=31--33, where recent experimental investigations have found indications of the presence of rhombic dodecahedral (CsCl)32Cs+ isomers in the cluster beams.Comment: LaTeX file. 6 pages and 4 pictures. Accepted for publication in Phys. Rev.

Melting behavior of large disordered sodium clusters

The melting-like transition in disordered sodium clusters Na_N, with N=92 and 142 is studied by using a first-principles constant-energy molecular dynamics simulation method. Na_142, whose atoms are distributed in two (surface and inner) main shells with different radial distances to the center of mass of the cluster, melts in two steps: the first one, at approx. 130 K, is characterized by a high intrashell mobility of the atoms, and the second, homogeneous melting, at approx. 270 K, involves diffusive motion of all the atoms across the whole cluster volume (both intrashell and intershell displacements are allowed). On the contrary, the melting of Na_92 proceeds gradually over a very wide temperature interval, without any abrupt step visible in the thermal or structural melting indicators. The occurrence of well defined steps in the melting transition is then shown to be related to the existence of a distribution of the atoms in shells. Thereby we propose a necessary condition for a cluster to be considered rigorously amorphouslike (totally disordered), namely that there are no space regions of the cluster where the local value of the atomic density is considerably reduced. Na_92 is the only cluster from the two considered that verifies this condition, so its thermal behavior can be considered as representative of that expected for amorphous clusters. Na_142, on the other hand, has a discernible atomic shell structure and should be considered instead as just partially disordered. The thermal behavior of these two clusters is also compared to that of icosahedral (totally ordered) sodium clusters of the same sizes.Comment: LaTeX file. 7 pages with 12 picture

Using Ontology Research in Semantic Web Applications

In the light of improving the World Wide Web, researchers are working towards the Semantic Web. Ontologies and ontology-based applications are its basic ingredients. Several ontological environments, categorizations and methodologies can be found in the literature. This paper shows how we have investigated the state of the art in these areas in an ontology building process that is the basis for an application developed at the later stage in an events organisation domain

Enriching Ontologies with Multilingual Information

Multilinguality in ontologies has become an impending need for institutions worldwide that have to deal with data and linguistic resources in different natural languages. Since most ontologies are developed in one language, obtaining multilingual ontologies implies to localize or adapt them to a concrete language and culture community. As the adaptation of the ontology conceptualization demands considerable efforts, we propose to modify the ontology terminological layer by associating an external repository of linguistic data to the ontology. With this aim we provide a model called Linguistic Information Repository (LIR) that associated to the ontology meta-model allows terminological layer localization

A Generic Communications Module for Cooperative 3D Visualization and Modelling over the Internet: the Collaborative API

Cooperative three-dimensional visualization and modeling applications allow a distributed group of users to work together with a model they share. To implement this kind of applications the underlying communications system must provide reliable and ordered multicast of users interactions. Due to the high complexity that characterizes the models, network bandwidth requirements have limited their use to intranets or in a few cases to very high-speed Internet connections. In this paper we present a communications module that solves this problem. The library exposed, which is called Collaborative API, supports the creation of very efficient cooperative 3D visualization and modeling applications by optimizing the use of the network resources. The Collaborative API, implements a new communications architecture: the dynamic client/server. The communications module presented in this paper is illustrated by two examples of applications that use it to provide cooperative 3D visualization over the Internet

Orbital-Free Molecular Dynamics Simulations of Melting in Na8 and Na20: Melting in Steps

The melting-like transitions of Na8 and Na20 are investigated by ab initio constant energy molecular dynamics simulations, using a variant of the Car-Parrinello method which employs an explicit electronic kinetic energy functional of the density, thus avoiding the use of one-particle orbitals. Several melting indicators are evaluated in order to determine the nature of the various transitions, and compared with other simulations. Both Na8 and Na20 melt over a wide temperature range. For Na8, a transition is observed to begin at approx. 110 K, between a rigid phase and a phase involving isomerizations between the different permutational isomers of the ground state structure. The ``liquid'' phase is completely established at approx. 220 K. For Na20, two transitions are observed: the first, at approx. 110 K, is associated with isomerization transitions between those permutational isomers of the ground state structure which are obtained by interchanging the positions of the surface-like atoms; the second, at approx. 160 K, involves a structural transition from the ground state isomer to a new set of isomers with the surface molten. The cluster is completely ``liquid'' at approx. 220 K.Comment: Revised version, accepted for publication in J. Chem. Phys. The changes include longer simulations for the Na20 microcluster, a more complete comparison to previous theoretical results, and the discussion of some technical details of the method applie