CAST – City analysis simulation tool: an integrated model of land use, population, transport and economics

The paper reports on research into city modelling based on principles of Science of Complexity. It focuses on integration of major processes in cities, such as economics, land use, transport and population movement. This is achieved using an extended Cellular Automata model, which allows cells to form networks, and operate on individual financial budgets. There are 22 cell types with individual processes in them. The formation of networks is based on supply and demand mechanisms for products, skills, accommodation, and services. Demand for transport is obtained as an emergent property of the system resulting from the network connectivity and relevant economic mechanisms. Population movement is a consequence of mechanisms in the housing and skill markets. Income and expenditure of cells are self-regulated through market mechanisms and changing patterns of land use are a consequence of collective interaction of all mechanisms in the model, which are integrated through emergence

Modelling drug coatings: A parallel cellular automata model of ethylcellulose-coated microspheres

Pharmaceutical companies today face a growing demand for more complex drug designs. In the past few decades, a number of probabilistic models have been developed, with the aim of improving insight on microscopic features of these complex designs. Of particular interest are models of controlled release systems, which can provide tools to study targeted dose delivery. Controlled release is achieved by using polymers with different dissolution characteristics. We present here an approach for parallelising a large-scale model of a drug delivery system based on Monte Carlo methods, as a framework for Cellular Automata mobility. The model simulates drug release in the gastro-intestinal tract, from coated ethylcellulose microspheres. The objective is high performance simulation of coated drugs for targeted delivery. The overall aim is to understand the importance of various molecular effects with respect to system evolution over time. Important underlying mechanisms of the process, such as erosion and diffusion, are described

A review of wildland fire spread modelling, 1990-present 3: Mathematical analogues and simulation models

In recent years, advances in computational power and spatial data analysis (GIS, remote sensing, etc) have led to an increase in attempts to model the spread and behvaiour of wildland fires across the landscape. This series of review papers endeavours to critically and comprehensively review all types of surface fire spread models developed since 1990. This paper reviews models of a simulation or mathematical analogue nature. Most simulation models are implementations of existing empirical or quasi-empirical models and their primary function is to convert these generally one dimensional models to two dimensions and then propagate a fire perimeter across a modelled landscape. Mathematical analogue models are those that are based on some mathematical conceit (rather than a physical representation of fire spread) that coincidentally simulates the spread of fire. Other papers in the series review models of an physical or quasi-physical nature and empirical or quasi-empirical nature. Many models are extensions or refinements of models developed before 1990. Where this is the case, these models are also discussed but much less comprehensively.Comment: 20 pages + 9 pages references + 1 page figures. Submitted to the International Journal of Wildland Fir

Multiscale Bone Remodelling with Spatial P Systems

Many biological phenomena are inherently multiscale, i.e. they are characterized by interactions involving different spatial and temporal scales simultaneously. Though several approaches have been proposed to provide "multilayer" models, only Complex Automata, derived from Cellular Automata, naturally embed spatial information and realize multiscaling with well-established inter-scale integration schemas. Spatial P systems, a variant of P systems in which a more geometric concept of space has been added, have several characteristics in common with Cellular Automata. We propose such a formalism as a basis to rephrase the Complex Automata multiscaling approach and, in this perspective, provide a 2-scale Spatial P system describing bone remodelling. The proposed model not only results to be highly faithful and expressive in a multiscale scenario, but also highlights the need of a deep and formal expressiveness study involving Complex Automata, Spatial P systems and other promising multiscale approaches, such as our shape-based one already resulted to be highly faithful.Comment: In Proceedings MeCBIC 2010, arXiv:1011.005

Role of vortex-like motion in fracture of coating-substrate system under contact loading

Deformation of a heterogeneous material containing internal interfaces or/and free surfaces is accompanied by collective vortex motion near these boundaries. One should expect that rotational motion in nanomaterials takes place at different scales, from the atomic scale to the macroscopic one. Nevertheless such a fundamental factor as elastic vortex motion in material formed during dynamic loading still remains out of discussion. The aim of this paper is revealing the role of vortex displacements in contact interaction of the strengthening coating with a hard counter-body by means of 3D modeling using movable cellular automata (MCA). MCA method is an efficient numerical method in particle mechanics, which assumes that the material is composed of a certain amount of elementary objects interacting among each other according to many-particle forces. In this paper MCA method is applied to 3D modeling deformation of the coating-substrate system under its contact loading by the rigid indenter. Main attention of the research is focused on the role of vortex structures in the velocity fields in elastic and non-elastic deformation of the strengthening coating and substrate. The mechanical properties of the model coating correspond to multifunctional nanostructured film and the properties of the substrate, to nanostructured titanium. The loading is performed by a hard conical indenter with various ratios of normal and tangential components. The peculiarities of the velocity vortex formation and propagation, as well as interaction with the structural elements are studied

Massively parallel computing on an organic molecular layer

Current computers operate at enormous speeds of ~10^13 bits/s, but their principle of sequential logic operation has remained unchanged since the 1950s. Though our brain is much slower on a per-neuron base (~10^3 firings/s), it is capable of remarkable decision-making based on the collective operations of millions of neurons at a time in ever-evolving neural circuitry. Here we use molecular switches to build an assembly where each molecule communicates-like neurons-with many neighbors simultaneously. The assembly's ability to reconfigure itself spontaneously for a new problem allows us to realize conventional computing constructs like logic gates and Voronoi decompositions, as well as to reproduce two natural phenomena: heat diffusion and the mutation of normal cells to cancer cells. This is a shift from the current static computing paradigm of serial bit-processing to a regime in which a large number of bits are processed in parallel in dynamically changing hardware.Comment: 25 pages, 6 figure