A Method for Forming a Porous Structure for Modeling Molecular Dynamics

Due to the wide variety of porous materials, studying their properties can be laborious. This paper proposes a porous structure generation algorithm for molecular dynamics simulation, which simplifies and accelerates the study of porous material properties. The algorithm can generate a porous system with a specified porosity, pore size, and solid matrix distribution in the material. The algorithm successfully generates morphology similar to that of experimental samples. This is demonstrated through the example of NiTi intermetallic compound.