Computer based methods digital simulation

Using advances in computer reconstruction methods (see e.g. Kikkinides and Burganos, 2000 Torquato, 2001) and past experience with discrete particle deposit simulations (Konstandopoulos, 2000), we have developed algorithmic as well as process-based reconstruction techniques to generate three-dimensional (3D) digital materials that are faithful representations of DPF microstructures. We refer to this approach as DPF microflow simulation (MicroFlowS). MicroFlowS is thus a short name for a computational approach, which combines... 

Recent decades have seen the emergence of a novel approach to scientific research, based on the exploitation of fast electronic digital computers. Computation provides a method of investigation which transcends the traditional division between theory and experiment. Computer-assisted simulation and design may afford a solution to complex problems which would otherwise be intractable to theoretical analysis, and may also provide a viable alternative to difficult or costly laboratory experiments. Though stemming from Theoretical Chemistry, Computational Chemistry is a field of research... 

The Digital Material is a material description based on measurable quantities that provides the necessary link between simulation and experiment. Critical components of the Digital Material, a feature based material description with a statistical description of attributes, include 1) experimental methods that provide initial data for simulations and simulation methods to evolve the material attributes, 2) simulation tools that can be used to build virtual specimens, characterize them and compute material properties, 3) coordinated experiments to verify simulations and to supplement critical data and 4) accuracy assessment techniques for both simulation and experiment. Development of this program will itself require simulations and experiments of a fundamental nature. The output will be a model that will permit virtual experiments to be conducted on a two-phase material of previously selected and characterized microstructure. 

For more complex systons, however, the methods of multicompartmental analysis based on calculation of the transfer functions are necessary and the utilization of digital computers almost inevitable. Owing to the relations of pharmacokinetics with the theory of electrical networks the use of an analogue computer may also be of help in pharmacokinetic analysis and simulation of pharmacokinetic models. 

---