| Abstract Scope |
MAX phases, a large family of ternary carbides and nitrides with a layered crystalline structure, exhibit high temperature stability and elastic stiffness while also being easily machinable and damage tolerant. While these properties are advantageous for various engineering applications, the mechanistic origins are still being sought. The complexity in their mechanical behavior results from the interplay between several deformation mechanisms – basal dislocations, elastic buckling, kinking, and delamination. Recent advances in atomistic modeling have enabled new insights into these processes. Utilizing atomistic simulations, basal dislocation core structures are studied, elucidating the key role of intralayer bonding, with weak bonds that result in non-planar cores and less mobile dislocations. Furthermore, the formation and evolution of kink bands are simulated and linked with the delamination of the basal planes. Finally, the variations in mechanical properties and underlying deformation mechanisms in the presence of irradiated vacancy clusters and at high temperature are probed. |