Nano porous media modeling method and system with relative density and edge diameter controllable

Abstract

The invention discloses a nano porous media modeling method and system with the relative density and the edge diameter controllable. The method includes the following steps that S100, grid division isconducted on a cube model in the three-dimensional direction, and a three-dimensional grid model is obtained; S200, a finite difference method is used for obtaining the three-dimensional grid model with a three-dimensional bicontinuous porous structure; S300, the jump function is used for calculating the relative density of the three-dimensional grid model at the moment; S400, a random cut line is generated in a grid point of each edge of the three-dimensional grid model, a binormal distribution function is used for fitting the length probability density distribution of the random cut line, and the length corresponding to an extreme point with the maximum length probability distribution is the average edge diameter; S500, the steps S100-S300 are iteratively executed until the relative density and the average edge diameter of the three-dimensional grid model meet the preset requirements. By adopting the method, the nano porous media modeling method and system with the relative densityand the edge diameter controllable can be obtained, and the obtained model can be used for unidirectional stretching molecular dynamics simulation.

Description

technical field [0001] The invention belongs to the technical field of porous material structure design, and in particular relates to a nanoporous medium modeling method and system with controllable relative density and edge diameter. Background technique [0002] With the continuous progress of contemporary materials science, nanoporous metals have attracted great attention of scientists due to their relatively low relative density and high specific surface area. In order to pursue the excellent catalytic performance brought by the continuously increasing specific surface area and reduce the relative density while ensuring high mechanical stability, people try to prepare nanoporous nanopores with smaller and smaller prism sizes and pores by template method and dealloying method. Metal. [0003] However, for nanoporous metals with ridge diameters of several nanometers that can be prepared experimentally, it is difficult to obtain their local micromechanical properties and i...

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Problems solved by technology

[0003] However, for nanoporous metals with ridge diameters of several nanometers that can be prepared experimentally, it is difficult to obtain their local micromechanical properties and in-situ observation of local material deformation behavior through experimental methods.

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