The invention belongs to the technical field of
molecular dynamics of materials, and particularly relates to a construction method for a
molecular dynamics geometric model of
spinodal decomposition distribution. The method comprises the following steps: 1, constructing a phase field model of
spinodal decomposition of a
system based on a Cahn-Hilliard model, iterating the phase field model by usingMATLAB, and finally, outputting
target concentration data of a block in a vtk format; 2, based on a Python environment, calling a vtk format file of the block
target concentration data, and storing the file in the form of a built-in type, namely a dictionary, of a sequence in Python; 3, creating data files of the
molecular dynamics geometric model, establishing a corresponding relationship between
atomic coordinates and coordinates of blocks in the dictionary, setting a concentration threshold of the blocks, arranging the data files of the molecular dynamics geometric model according to the concentration threshold of the block, and outputting a new
data file of the molecular dynamics model; and step 4, inputting the new
data file of the molecular dynamics model into LAMMPS to perform molecular dynamics
simulation. The method can be used for carrying out molecular dynamics
simulation research on a porous nano-
metal material.