Atomistic simulation study on the crack growth stability of graphene under uniaxial tension and indentation
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DOI: 10.1007/s11012-019-01027-x
Abstract: Combining a series of atomistic simulations with fracture mechanics theory, we systematically investigate the crack growth stability of graphene under tension and indentation, with a pre-existing crack made by two methods: atom removal and (artificial)… read more here.
Keywords: crack; indentation; crack growth; growth stability ... See more keywords
Effects of thiol ligands on the growth and stability of CdS nanoclusters
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2019.07.079
Abstract: Abstract A DFT calculation of small CdnSn QDs (n = 6) has been achieved in the study of CdS-ligand systems using DFT and TDDFT calculations. We discussed the influence of three thiol ligands, namely, 3-Mercaptopropionic Acid (MPA),… read more here.
Keywords: ligands growth; cds nanoclusters; growth stability; thiol ligands ... See more keywords