A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä
Response of mechanically strained nanomaterials to irradiation: Insight from atomistic simulations
Tekijät: Holmström E, Toikka L, Krasheninnikov AV, Nordlund K
Kustantaja: AMER PHYSICAL SOC
Julkaisuvuosi: 2010
Lehti: Physical Review B
Tietokannassa oleva lehden nimi: PHYSICAL REVIEW B
Lehden akronyymi: PHYS REV B
Artikkelin numero: ARTN 045420
Vuosikerta: 82
Numero: 4
Sivujen määrä: 5
ISSN: 1098-0121
DOI: https://doi.org/10.1103/PhysRevB.82.045420
Tiivistelmä
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.
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.
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