Cohesion Properties and Irradiation Tolerance of W-Fe Graded Interfaces from Molecular Dynamics Simulation

The present work is devoted to construct W-Fe graded interfaces with excellent interface cohesion and irradiation resistance. The adhesion and fracture toughness of various W-Fe graded bilayers are systematically explored, and the results reveal that the layer amount of W-rich side is supposed to be designed as many as possible, in order to derive more high strength and outstanding fracture toughness of W-Fe graded interfaces. It also shows that the addition of Fe in the W-rich side and the addition of W in the Fe-rich side both can improve the irradiation resistance in terms of mechanical properties. However, the additive composition in the Fe-rich side is much bigger than that in the W-rich side. In combination with interface strength and fracture toughness, as well as irradiation tolerance, a graded structure design of W90Fe10/W75Fe25/W60Fe40/W40Fe60/W25Fe75 is suggested from a theoretical perspective.