The invention provides a reverse design method and device for a
material structure, equipment and a storage medium, and relates to the field of
material design. Constructing a three-dimensional
feature vector matrix of the sample material; the three-dimensional feature vectors in the matrix are used for representing the three-dimensional
microstructure features of the sample material. And extracting macroscopic performance parameters of the sample material, and taking the macroscopic performance parameters as model condition information. And forming a training data pair by using the three-dimensional
feature vector and the model condition information. And carrying out iterative training on the conditional
diffusion model by utilizing the training data pair until a training ending condition is reached, thereby obtaining a target conditional
diffusion model. And inputting the target macroscopic performance parameters into the target condition
diffusion model to obtain a target three-dimensional
microstructure meeting target macroscopic performance parameter conditions. The three-dimensional
microstructure of the material can be reversely designed according to the required performance, the material development efficiency is improved, and the development cost is reduced; and the designed structure can more accurately meet the required performance requirements, and is more suitable for the real process.