Molecular dynamics simulations of healing of a hole in a carbon nanotube under electron irradiation
2020
- 218Usage
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Example: if you select the 1-year option for an article published in 2019 and a metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019. If you select the 3-year option for the same article published in 2019 and the metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019, 2018 and 2017.
Citation Benchmarking is provided by Scopus and SciVal and is different from the metrics context provided by PlumX Metrics.
Metrics Details
- Usage218
- Views163
- Downloads55
Dataset Description
Molecular dynamics simulations are performed to study healing of a hole in a carbon nanotube under electron irradiation in HRTEM at room temperature. The calculations are carried out using the CompuTEM algorithm as implemented in the MD-kMC code. Hole healing occurs in all the simulation runs. An amorphous patch is formed in the absence of external carbon adatoms only via saturation of dangling bonds. The patch consists of non-hexagonal rings, mostly of 5-, 6- and 7-membered rings, and its formation is accompanied by CNT buckling and narrowing. The amorphous patch growth is observed under further irradiation. Two-coordinated atoms play a leading role in this process.
Bibliographic Details
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