Computational Simulation of Irradiation-Induced Structural Defects in Metallic Materials: Formation, Evolution, and Mechanical Effects.

The rapid development of Generation IV nuclear reactors has imposed stringent requirements on structural materials, demanding excellent irradiation resistance to withstand long-term exposure to complex radiation environments, including neutron and ion irradiation. Under irradiation, a large number of defects are generated inside materials via displacement cascades, and the dynamic evolution of these defects gradually leads to macroscopic property deterioration, potentially triggering major accidents such as equipment failure and even posing system safety hazards. Thus, understanding the law of defect evolution in materials under irradiation and exploring the microscopic mechanism of irradiation damage are core prerequisites for material service life prediction, radiation resistance optimization, and safety risk assessment. In recent years, computational simulation, leveraging its unique advantages in multiscale and multiphysics coupling research, has yielded numerous innovative achievements in the irradiation field. This review overviews the progress of computational simulation studies on irradiation damage in nuclear structural materials over the past few decades, focuses on summarizing the "generation-evolution-annihilation" process of irradiation defects, and further discusses the impact of irradiation on the macroscopic mechanical properties of materials. The content and outlook of this review can advance the microscopic-level comprehension of irradiation damage mechanisms in structural materials and provide guidance for the development of a new generation of materials with excellent irradiation resistance.