Apparatus and method for making polycrystalline graphene atomic model having overlapped grain boundary and record media recorded program for realizing the same

摘要

Disclosed are an apparatus and method for generating a polycrystalline graphene atomic model having overlapping grain boundaries and a recording medium recording a program for implementing the same. According to one preferred embodiment of the present invention, the center coordinates of the respective crystals are set, the lattice direction of the respective crystals is set to form a crystal structure of the respective crystals, and each atom in the formed crystal structure is each It is determined whether the inside of the crystal structure or the boundary of the crystal, and using the determined information to store and output the number and coordinate information of the atoms included in each of the crystals. According to the present invention, a polycrystalline graphene atomic model, in particular, a polycrystalline graphene atomic model having overlapping grain boundaries can be easily generated, and a polycrystalline graphene atomic model having overlapping grain boundaries can be easily generated to save time and effort in an actual test process. There is an advantage to reduce.