An atomistic investigation on the wear of diamond during atomic force microscope tip-based nanomachining of gallium arsenide

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dc.contributor.authorFan, Pengfei
dc.contributor.authorGoel, Saurav
dc.contributor.authorLuo, Xichun
dc.contributor.authorYan, Yongda
dc.contributor.authorGeng, Yanquan
dc.contributor.authorWang, Yuzhang
dc.date.accessioned2020-12-08T17:22:01Z
dc.date.available2020-12-08T17:22:01Z
dc.date.issued2020-10-30
dc.description.abstractThis paper investigated the wear mechanism of diamond during the atomic force microscope (AFM) tip-based nanomachining of Gallium Arsenide (GaAs) using molecular dynamics (MD) simulations. The elastic-plastic deformation at the apex of the diamond tip was observed during the simulations. Meanwhile, a transition of the diamond tip from its initial cubic diamond lattice structure sp3 hybridization to graphite lattice structure sp2 hybridization was revealed. Graphitization was, therefore, found to be the dominant wear mechanism of the diamond tip during the nanometric cutting of single crystal gallium arsenide for the first time. The various stress states, such as hydrostatic stress, shear stress, and von Mises stress within the diamond tip and the temperature distribution of the diamond tip were also estimated to find out the underlying mechanism of graphitization. The results showed that the cutting heat during nanomachining of GaAs would mainly lead to the graphitization of the diamond tip instead of the high shear stress-induced transformation of the diamond to graphite. The paper also proposed a new approach to quantify the graphitization conversion rate of the diamond tipen_UK
dc.identifier.citationFan P, Goel S, Luo X, et al., (2021) An atomistic investigation on the wear of diamond during atomic force microscope tip-based nanomachining of gallium arsenide. Computational Materials Science, Volume 187, February 2021, Article number 110115en_UK
dc.identifier.issn0927-0256
dc.identifier.urihttps://doi.org/10.1016/j.commatsci.2020.110115
dc.identifier.urihttps://dspace.lib.cranfield.ac.uk/handle/1826/16062
dc.language.isoenen_UK
dc.publisherElsevieren_UK
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 International*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subjectGraphitizationen_UK
dc.subjectAFM tip-based nanomachiningen_UK
dc.subjectSingle crystal gallium arsenideen_UK
dc.subjectDiamond tip wearen_UK
dc.subjectMD simulationen_UK
dc.titleAn atomistic investigation on the wear of diamond during atomic force microscope tip-based nanomachining of gallium arsenideen_UK
dc.typeArticleen_UK

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