Spatio-Temporal Event Model for Cyber-Physical Systems

The emerging Cyber-Physical Systems (CPSs) are envisioned to integrate computation, communication and control with the physical world. Therefore, CPS requires close interactions between the cyber and physical worlds both in time and space. These interactions are usually governed by events, which occur in the physical world and should autonomously be reflected in the cyber-world, and actions, which are taken by the CPS as a result of detection of events and certain decision mechanisms. Both event detection and action decision operations should be performed accurately and timely to guarantee temporal and spatial correctness. This calls for a flexible architecture and task representation framework to analyze CP operations. In this paper, we explore the temporal and spatial properties of events, define a novel CPS architecture, and develop a layered spatiotemporal event model for CPS. The event is represented as a function of attribute-based, temporal, and spatial event conditions. Moreover, logical operators are used to combine different types of event conditions to capture composite events. To the best of our knowledge, this is the first event model that captures the heterogeneous characteristics of CPS for formal temporal and spatial analysis.

MOLECULAR DYNAMICS STUDIES OF SIMPLE MODEL FLUIDS AND WATER CONFINED IN CARBON NANOTUBE

Molecular Dynamics (MD) simulation is one of the most important computational techniques with broad applications in physics, chemistry, chemical engineering, materials design and biological science. Traditional computational chemistry refers to quantum calculations based on solving Schrodinger equations. Later developed Density Functional Theory (DFT) based on solving Kohn-Sham equations became the more popular ab initio calculation technique which could deal with ~1000 atoms by explicitly considering electron interactions. In contrast, MD simulation based on solving classical mechanics equations of motion is a totally different technique in the field of computational chemistry. Electron interactions were implicitly included in the empirical atom-based potential functions and the system size to be investigated can be extended to ~106 atoms. The thermodynamic properties of model fluids are mainly determined by macroscopic quantities, like temperature, pressure, density. The quantum effects on thermodynamic properties like melting point, surface tension are not dominant. In this work, we mainly investigated the melting point, surface tension (liquid-vapor and liquid-solid) of model fluids including Lennard-Jones model, Stockmayer model and a couple of water models (TIP4P/Ew, TIP5P/Ew) by means of MD simulation. In addition, some new structures of water confined in carbon nanotube were discovered and transport behaviors of water and ions through nano-channels were also revealed.