Publication: Research - peer-review › Journal article – Annual report year: 2012
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.
|Journal||Physical Review B (Condensed Matter and Materials Physics)|
©2012 American Physical Society
|Citations||Web of Science® Times Cited: 11|
- Physics, Generalized gradient approximation, Linear carbon chains, Nanotubes, Polyynes
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