Response of mechanically strained nanomaterials to irradiation: Insight from atomistic simulations

: Holmström E, Toikka L, Krasheninnikov AV, Nordlund K

Publisher: AMER PHYSICAL SOC

: 2010

Physical Review B

: PHYSICAL REVIEW B

: PHYS REV B

: ARTN 045420

: 82

: 4

: 5

: 1098-0121

DOI: https://doi.org/10.1103/PhysRevB.82.045420

By combining analytical molecular-dynamics with density-functional theory simulations, we study the radiation hardness of mechanically strained low-dimensional nanosystems such as carbon nanotubes, graphene, and Si nanowires. We show that the radiation hardness of all these structures decreases with strain but the effect is most pronounced in nanowire due to the bulk structure of its core in contrast with the planar structure of nanotubes and graphene. Our results not only elucidate the microscopic mechanism of irradiation-induced defect production in strained nanomaterials but also provide quantitative information required for assessing the stability of nanocomponents in composite materials subjected to mechanical strain and irradiation, e.g., in space applications.