CrCoNi钝化膜有序-无序占位优化方法、计算机设备及存储介质
By combining first-principles calculations and a Gaussian approximate potential model, the composition and microstructure of the CrCoNi alloy passivation film were optimized, solving the problem of high computational complexity and achieving efficient passivation film optimization and improved corrosion resistance.
Patent Information
- Authority / Receiving Office
- CN · China
- Patent Type
- Patents(China)
- Current Assignee / Owner
- SHANGHAI UNIV
- Filing Date
- 2024-04-01
- Publication Date
- 2026-07-17
AI Technical Summary
Existing technologies for the study of passivation films in CrCoNi medium-entropy alloys suffer from high computational complexity and high computational resource consumption, making it difficult to effectively optimize the composition and microstructure of the passivation film to improve its corrosion resistance.
By combining first-principles calculations and a Gaussian approximation potential model, and by generating a training dataset and optimizing the Gaussian approximation potential parameters, the performance of the passivation film can be predicted, and the composition and microstructure of the alloy can be optimized.
It improves computational efficiency, achieves efficient optimization of passivation film, enhances the corrosion resistance of CrCoNi alloy, and provides design guidance for new corrosion-resistant materials.
Smart Images
Figure CN118197500B_ABST