Superior hardness and stiffness of diamond nanoparticles
Само за регистроване кориснике
2020
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
Stability / Nanoparticle / Hardness / DFT / Calculation / ab initioИзвор:
Carbon, 2020, 162, 497-501Издавач:
- Pergamon-Elsevier Science Ltd, Oxford
Финансирање / пројекти:
- NSF/AFOSR EFRI 2DARE grant [EFMA-1433459]
- Materials for Energy Research Group (MERG) at the University of the Witwatersrand
- DST-NRF Centre of Excellence in Strong Materials (CoE-SM) at the University of the Witwatersrand
- Mandelstam Institute for Theoretical Physics (MITP)
- Simons Foundation [509116]
DOI: 10.1016/j.carbon.2020.02.076
ISSN: 0008-6223
WoS: 000526113000054
Scopus: 2-s2.0-85081009762
Институција/група
Institut za multidisciplinarna istraživanjaTY - JOUR AU - Quandt, Alexander AU - Popov, Igor AU - Tomanek, David PY - 2020 UR - http://rimsi.imsi.bg.ac.rs/handle/123456789/1355 AB - 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. PB - Pergamon-Elsevier Science Ltd, Oxford T2 - Carbon T1 - Superior hardness and stiffness of diamond nanoparticles EP - 501 SP - 497 VL - 162 DO - 10.1016/j.carbon.2020.02.076 ER -
@article{ author = "Quandt, Alexander and Popov, Igor and Tomanek, David", year = "2020", 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.", publisher = "Pergamon-Elsevier Science Ltd, Oxford", journal = "Carbon", title = "Superior hardness and stiffness of diamond nanoparticles", pages = "501-497", volume = "162", doi = "10.1016/j.carbon.2020.02.076" }
Quandt, A., Popov, I.,& Tomanek, D.. (2020). Superior hardness and stiffness of diamond nanoparticles. in Carbon Pergamon-Elsevier Science Ltd, Oxford., 162, 497-501. https://doi.org/10.1016/j.carbon.2020.02.076
Quandt A, Popov I, Tomanek D. Superior hardness and stiffness of diamond nanoparticles. in Carbon. 2020;162:497-501. doi:10.1016/j.carbon.2020.02.076 .
Quandt, Alexander, Popov, Igor, Tomanek, David, "Superior hardness and stiffness of diamond nanoparticles" in Carbon, 162 (2020):497-501, https://doi.org/10.1016/j.carbon.2020.02.076 . .