Method and Software for Modeling the Building Materials as Dispersions

摘要

Particle system dynamics is the well known method that can be used in wide range of spatial scales - from molecular to astronomic. However, numerical experimentation with constructional composites requires adequate representation of peculiar forces that are due to solvation shells, steric conditions and technological actions. Thus, despite the fact that there is currently a lot of software suitable for particle system dynamics, the existing software is of limited use in constructional material science. In the present work we have developed the proper model of building material as dispersion with solvation shells. The software implementation of the developed model is also briefly described. The model and software were already successfully used in several basic and applied research works in material science.