Discrete Element Method Adopting Microstructure Information

Multiscale Discrete Element Modeling

“…When moving to the next macroscopic level, we represent the object as a set of tetrahedral elements stiffly bound by their faces [23]. With every discrete element, we associate an atomic sample (representative fragment of atomic structure).…”

“…Nevertheless, it is possible to organize the information transfer between the levels. A detailed description can be found in [23]. We use a natural assumption that the tensors of stress and deformation are the same for the element DE and its atomic sample AS.…”

“…In our previous paper [23], a discrete element method was proposed that adapts information on the microstructure of a material. The proposed method's main feature is a combination of discrete elements and associated atomic samples.…”

“…Thus, no macroscopic material properties have to be known; all the necessary information can be obtained by atomic sample simulation. In [23], the method has been validated for materials with embedded-atom interatomic potentials.…”

“…This paper presents a full cycle of multiscale discrete-element modeling applied to the analysis of materials with covalent bonds. The paper's novelty lies in the fact that all stages of multiscale modeling, including discrete-element modeling [23], are considered in relation to polycrystalline materials with Tersoff interatomic potential. The first step of multiscale modeling is fitting interatomic potential to quantum mechanical properties.…”