Building Materials as Disperse Systems: Multiscale Modeling with Dedicated Software

No doubt, the majority of modern building materials are – at every single stage of their existence – disperse systems. Thus, to investigate the structure formation and to reveal peculiarities in influence of control factors to structure and properties, it is possible to employ vast amount of theoretical and semi-empirical methods from interface and colloids science and physical chemistry – the interdisciplinary intersections of physics, nanoscience, chemistry and many other fields. With computational experiments in mind, the particle systems can be considered as the most reasonable representations of both compositions and composites. Modeling of particles’ motion under internal and external forces is the particle dynamics method, and it is dated back to XIX century. As of now, there are numerous software packages available for modeling of particle dynamics. Unfortunately, many of the packages are targeted only to nano- and, on rare occasions, to micro-scale spatial levels. Some specific functionality for macro-scale modeling, along with simplified pairwise potentials, but complicated initial distributions and topology analysis methods, still require adequate implementation for the R&D in construction material science. The present article devoted to three simultaneous goals: i) to shortly describe the problem of numerical modeling the building materials by means of particle dynamics, ii) to briefly discuss the distinctive features of our software, and iii) to perform the modeling of nanoscale dispersion and to demonstrate the amount of informative parameters that can be obtained with help of our software.

V.A. SMIRNOV, Candidate of Sciences (Engineering) (This email address is being protected from spambots. You need JavaScript enabled to view it.)
E.V. KOROLEV, Doctor of Engineering, Professor, Director of the Research and Educational Center “Nanomaterials and Nanotechnology”

National Research Moscow State University of Civil Engineering (26, Yaroslavskoe Highway, Moscow, 129337, Russian Federation)

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