As sp carbon chains (carbynes) are relatively rigid molecular objects, can we exploit them as construction elements in nanomechanics? To answer this question, we investigate their remarkable mechanical properties by ab initio total-energy simulations. In particular, we evaluate their linear response to small longitudinal and bending deformations and their failure limits for longitudinal compression and elongation.
Mechanical properties of carbynes investigated by ab initio total-energy calculations / I.E. Castelli, P. Salvestrini, N. Manini. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - 85:21(2012), pp. 214110.214110.1-214110.214110.5.
Mechanical properties of carbynes investigated by ab initio total-energy calculations
N. ManiniUltimo
2012
Abstract
As sp carbon chains (carbynes) are relatively rigid molecular objects, can we exploit them as construction elements in nanomechanics? To answer this question, we investigate their remarkable mechanical properties by ab initio total-energy simulations. In particular, we evaluate their linear response to small longitudinal and bending deformations and their failure limits for longitudinal compression and elongation.Pubblicazioni consigliate
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