New criteria for cluster identification in continuum systems

Two new criteria, that involve the microscopic dynamics of the system, are proposed for the identification of clusters in continuum systems. The first one considers a residence time in the definition of the bond between pairs of particles, whereas the second one uses a life time in the definition of an aggregate. Because of the qualitative features of the clusters yielded by the criteria we call them chemical and physical clusters, respectively. Molecular dynamics results for a Lennard-Jones system and general connectivity theories are presented.Comment: 31 pages, 11 figures, The following article has been accepted by The Journal of Chemical Physics. After it is published, it will be found at http://ojps.aip.org/jcpo

Poincar\'e invariance and asymptotic flatness in Shape Dynamics

Shape Dynamics is a theory of gravity that waives refoliation invariance in favor of spatial Weyl invariance. It is a canonical theory, constructed from a Hamiltonian, 3+1 perspective. One of the main deficits of Shape Dynamics is that its Hamiltonian is only implicitly constructed as a functional of the phase space variables. In this paper, I write down the equations of motion for Shape Dynamics to show that over a curve in phase space representing a Minkowski spacetime, Shape Dynamics possesses Poincar\'e symmetry for appropriate boundary conditions. The proper treatment of such boundary conditions leads us to completely formulate Shape Dynamics for open manifolds in the asymptotically flat case. We study the charges arising in this case and find a new definition of total energy, which is completely invariant under spatial Weyl transformations close to the boundary. We then use the equations of motion once again to find a non-trivial solution of Shape Dynamics, consisting of a flat static Universe with a point-like mass at the center. We calculate its energy through the new formula and rederive the usual Schwarzschild mass.Comment: 22 pages, matches accepted versio

Probabilistic Guarded P Systems, A New Formal Modelling Framework

Multienvironment P systems constitute a general, formal framework for modelling the dynamics of population biology, which consists of two main approaches: stochastic and probabilistic. The framework has been successfully used to model biologic systems at both micro (e.g. bacteria colony) and macro (e.g. real ecosystems) levels, respectively. In this paper, we extend the general framework in order to include a new case study related to P. Oleracea species. The extension is made by a new variant within the probabilistic approach, called Probabilistic Guarded P systems (in short, PGP systems). We provide a formal definition, a simulation algorithm to capture the dynamics, and a survey of the associated software.Ministerio de Economía y Competitividad TIN2012- 37434Junta de Andalucía P08-TIC-0420

Weak index pairs and the Conley index for discrete multivalued dynamical systems

Motivated by the problem of reconstructing dynamics from samples we revisit the Conley index theory for discrete multivalued dynamical systems. We introduce a new, less restrictive definition of the isolating neighbourhood. It turns out that then the main tool for the construction of the index, i.e. the index pair, is no longer useful. In order to overcome this obstacle we use the concept of weak index pairs

Sampling equilibrium through descriptive simulations

A definition of sampling equilibrium was introduced in (Osborne and Rubinstein 1998). A dynamic version of the model was introduced in (Sethi 2000). However, a descriptive simulation based on the above idea of procedural rationality (i.e. using the same algorithm of behavior) gave different results, than those achieved in (Osborne and Rubinstein 1998) and (Sethi 2000). The simulation was a starting point for new definitions of both sampling dynamics and sampling equilibrium

Discrete-time port-Hamiltonian systems: A definition based on symplectic integration

We introduce a new definition of discrete-time port-Hamiltonian systems (PHS), which results from structure-preserving discretization of explicit PHS in time. We discretize the underlying continuous-time Dirac structure with the collocation method and add discrete-time dynamics by the use of symplectic numerical integration schemes. The conservation of a discrete-time energy balance - expressed in terms of the discrete-time Dirac structure - extends the notion of symplecticity of geometric integration schemes to open systems. We discuss the energy approximation errors in the context of the presented definition and show that their order is consistent with the order of the numerical integration scheme. Implicit Gauss-Legendre methods and Lobatto IIIA/IIIB pairs for partitioned systems are examples for integration schemes that are covered by our definition. The statements on the numerical energy errors are illustrated by elementary numerical experiments.Comment: 12 pages. Preprint submitted to Systems & Control Letter