Приказ основних података о документу
Superior hardness and stiffness of diamond nanoparticles
dc.creator | Quandt, Alexander | |
dc.creator | Popov, Igor | |
dc.creator | Tomanek, David | |
dc.date.accessioned | 2022-04-05T15:28:45Z | |
dc.date.available | 2022-04-05T15:28:45Z | |
dc.date.issued | 2020 | |
dc.identifier.issn | 0008-6223 | |
dc.identifier.uri | http://rimsi.imsi.bg.ac.rs/handle/123456789/1355 | |
dc.description.abstract | We introduce a computational approach to estimate the hardness and stiffness of diamond surfaces and nanoparticles by studying their elastic response to atomic nanoindentation. Results of our ab initio density functional calculations explain the observed hardness differences between different diamond surfaces and suggest bond stiffening in bare and hydrogenated fragments of cubic diamond and lonsdaleite. The increase in hardness and stiffness can be traced back to bond length reduction especially in bare nanoscale diamond clusters, a result of compression that is driven by the dominant role of the surface tension. | en |
dc.publisher | Pergamon-Elsevier Science Ltd, Oxford | |
dc.relation | NSF/AFOSR EFRI 2DARE grant [EFMA-1433459] | |
dc.relation | Materials for Energy Research Group (MERG) at the University of the Witwatersrand | |
dc.relation | DST-NRF Centre of Excellence in Strong Materials (CoE-SM) at the University of the Witwatersrand | |
dc.relation | Mandelstam Institute for Theoretical Physics (MITP) | |
dc.relation | Simons Foundation [509116] | |
dc.rights | restrictedAccess | |
dc.source | Carbon | |
dc.subject | Stability | en |
dc.subject | Nanoparticle | en |
dc.subject | Hardness | en |
dc.subject | DFT | en |
dc.subject | Calculation | en |
dc.subject | ab initio | en |
dc.title | Superior hardness and stiffness of diamond nanoparticles | en |
dc.type | article | |
dc.rights.license | ARR | |
dc.citation.epage | 501 | |
dc.citation.other | 162: 497-501 | |
dc.citation.rank | M21 | |
dc.citation.spage | 497 | |
dc.citation.volume | 162 | |
dc.identifier.doi | 10.1016/j.carbon.2020.02.076 | |
dc.identifier.scopus | 2-s2.0-85081009762 | |
dc.identifier.wos | 000526113000054 | |
dc.type.version | publishedVersion |