Quasi-classical trajectory analysis of three-body collision induced recombination in neutral nitrogen and oxygen.

We present theory and a simulation framework to model three-body collisions and gas phase recombination in dilute atom/diatom mixtures of pure oxygen (O/O2) and nitrogen (N/N2) using the Quasi-Classical Trajectory method. We formulate a three-body collision rate constant based on the lifetimes of binary collisions and initialize three-body collisions by sampling the arrival time of a third body within the lifetimes of pre-simulated binary collisions. We use this method to calculate distributions of recombined product energies, probabilities of recombination, and recombination rate constants through different collision pathways.

State-to-State Master Equation and Direct Molecular Simulation Study of Energy Transfer and Dissociation for the N-N System.

We present a detailed comparison of two high-fidelity approaches for simulating non-equilibrium chemical processes in gases: the state-to-state master equation (StS-ME) and the direct molecular simulation (DMS) methods. The former is a deterministic method, which relies on the pre-computed kinetic database for the N-N system based on the NASA Ames potential energy surface (PES) to describe the evolution of the molecules' internal energy states through a system of master equations. The latter is a stochastic interpretation of molecular dynamics relying exclusively on the same PES.

Coupling of state-resolved rovibrational coarse-grain model for nitrogen to stochastic particle method for simulating internal energy excitation and dissociation.

We propose to couple a state-resolved rovibrational coarse-grain model to a stochastic particle method for simulating internal energy excitation and dissociation of a molecular gas. A coarse-grained model for a rovibrational reaction mechanism of an database developed at the NASA Ames Research Center for the N-N system is modified based on variably spaced energy bins. The thermodynamic properties of the modified coarse-grained model allow us to closely match those obtained with the full set of rovibrational levels over a wide temperature range, while using a number of bins significantly smaller than the complete mechanism.

TRENCADIS - secure architecture to share and manage DICOM objects in a ontological framework based on OGSA.

Today most European healthcare centers use the digital format for their databases of images. TRENCADIS is a software architecture comprising a set of services as a solution for interconnecting, managing and sharing selected parts of medical DICOM data for the development of training and decision support tools. The organization of the distributed information in virtual repositories is based on semantic criteria.

Privacy protection in HealthGrid: distributing encryption management over the VO.

Grid technologies have proven to be very successful in tackling challenging problems in which data access and processing is a bottleneck. Notwithstanding the benefits that Grid technologies could have in Health applications, privacy leakages of current DataGrid technologies due to the sharing of data in VOs and the use of remote resources, compromise its widespreading. Privacy control for Grid technology has become a key requirement for the adoption of Grids in the Healthcare sector.