2 results about "Diffusion theory" patented technology

This invention relates to the field of computer-aided process design technology, specifically to a method and system for optimizing the formulation of biodegradable tableware materials. The method includes the following steps: generating equilibrium molecular conformations based on atomic coordinates and calculating initial formulation component parameters; converting modulus parameters to generate theoretical elastic recovery strain parameters; mapping models to calculate deformation and marking diffusion characteristic length parameters; calculating diffusion coefficients and flux parameters to update local hydrogen ion concentration indices; updating reaction rate constants and integrating them to generate finalized formulation structural parameters. In this invention, a microscopic molecular dynamics model is constructed to analyze interface voids to quantitatively assess compatibility; relaxation time spectra are used to invert elastic recovery strain to predict deformation risk; autocatalytic reaction and diffusion theories are combined to track hydrogen ion concentration evolution; a dynamic mapping between degradation and failure is established; and full life-cycle verification is completed in a virtual environment, significantly shortening the R&D cycle and reducing trial-and-error costs.

The invention discloses a method for predicting the fatigue life of a ceramic matrix composite structure in a thermal oxygen coupling environment. According to the method, non-uniformity of the internal oxidation degree of a CMC structure in a complex environment and local material performance degradation caused by the non-uniformity are fully considered. The diffusion behavior of oxygen concentration in the structure is simulated by constructing a structure oxidation diffusion coefficient model and simulating a transient heat conduction process based on a diffusion theory. Meanwhile, a high-temperature stress oxidative damage model is established in combination with a reaction-diffusion theory and is used for calculating residual rigidity and residual strength of the structure. From the perspective of different degrees of oxidation of each area in the structural member in a complex service environment, oxidative damage evolution and unit failure processes are simulated, and multi-factor coupling effects such as gas concentration distribution, material component consumption oxidation and mechanical property degradation are integrated; accurate prediction of the oxidation life of the CMC structure under different working conditions is realized.