Show simple item record

dc.contributor.authorReischl, Bernhard
dc.contributor.authorRohl, Andrew
dc.contributor.authorKuronen, A.
dc.contributor.authorNordlund, K.
dc.date.accessioned2017-12-10T12:39:44Z
dc.date.available2017-12-10T12:39:44Z
dc.date.created2017-12-10T12:20:22Z
dc.date.issued2017
dc.identifier.citationReischl, B. and Rohl, A. and Kuronen, A. and Nordlund, K. 2017. Atomistic simulation of the measurement of mechanical properties of gold nanorods by AFM. Scientific Reports. 7 (1): Article ID 16257.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/59330
dc.identifier.doi10.1038/s41598-017-16460-9
dc.description.abstract

Mechanical properties of nanoscale objects can be measured with an atomic force microscope (AFM) tip. However, the continuum models typically used to relate the force measured at a certain indentation depth to quantities such as the elastic modulus, may not be valid at such small scales, where the details of atomistic processes need to be taken into account. On the other hand, molecular dynamics (MD) simulations of nanoindentation, which can offer understanding at an atomistic level, are often performed on systems much smaller than the ones studied experimentally. Here, we present large scale MD simulations of the nanoindentation of single crystal and penta-twinned gold nanorod samples on a silicon substrate, with a spherical diamond AFM tip apex. Both the sample and tip sizes and geometries match commercially available products, potentially linking simulation and experiment. Different deformation mechanisms, involving the creation, migration and annihilation of dislocations are observed depending on the nanorod crystallographic structure and orientation. Using the Oliver-Pharr method, the Young's moduli of the (100) terminated and (110) terminated single crystal nanorods, and the penta-twinned nanorod, have been determined to be 103 ± 2, 140 ± 4 and 108 ± 2 GPa, respectively, which is in good agreement with bending experiments performed on nanowires.

dc.publisherNature Publishing Group
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.titleAtomistic simulation of the measurement of mechanical properties of gold nanorods by AFM
dc.typeJournal Article
dcterms.source.volume7
dcterms.source.number1
dcterms.source.issn2045-2322
dcterms.source.titleScientific Reports
curtin.departmentNanochemistry Research Institute
curtin.accessStatusOpen access


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record

http://creativecommons.org/licenses/by/4.0/
Except where otherwise noted, this item's license is described as http://creativecommons.org/licenses/by/4.0/