Potential energy factor, model interactions

This model is based on quasimolecular dynamics, in which the medium is assumed to be composed of an assembly of meso-scale discrete particles (i.e., finite elements). Tlie movement and deformation of the material system and its evolution are described by the aggregate movements of these elements. Two types of basic characteristics, geometrical and physical, are considered. In tlie geometrical aspect, sliapes and sizes of elements and tlie manner of their initial aggregation and arrangement are the important factors. In the physical aspect, mechanical, physical, and chemical characteristics, such as the interaction potential, phase transition, and chemical reactivity may be tlie important ones. To construct this model, many physical factors, including interaction potential, friction of particles, shear resistance force, energy dissipation and temperature increase, stress and strain at the meso- and macro-levels, phase transition, and chemical reaction are considered. In fact, simulation of chemical reactions is one of the most difficult tasks, but it is the most important aspect in shock-wave chemistiy. 

---