Dong, Yi-fuLi, Ming-feiMalomo, B. O2023-06-102023-06-102020-12Dong, Y. F., Li, M. F., Malomo, B., & Yang, L. (2021). Microstructural evolution in ZrCu metallic glass under neutron irradiation. Computational Materials Science, 188, 110183.0927-025610.1016/j.commatsci.2020.110183http://hdl.handle.net/123456789/1950Volume 188, 15 February 2021, 110183A detailed numerical investigation has been conducted on the microstructural evolution of a Zr2Cu metallic glass (MG) model under neutron irradiation by extensive molecular dynamics simulations. It was discovered that at the melted zone of the irradiated MG model, an irradiation-induced cascades region was prominent, where there exists a significant atomic-to-cluster structural changes in terms of the coordination numbers, atomic packing efficiency, cluster distribution and regularity. These features effectively were responsible for the transformation of disordered local structures from a densely-packed to a loosely-packed arrangement and largely, the underlying chaos within the structure. Eventually, it was highly remarkable to discover that when the model was fully relaxed at 20 ns, the irradiation-induced structural changes completely vanished and the entire structure was effectively and fully self-recovered. The results of this study will potentially facilitate the development of advanced materials with high irradiation resistance.enSTEMObafemi Awolowo UniversityLiang Yangneutron irradiationmetallic glassmicrostructural evolutionirradiation-inducedArticle