Molecular dynamics simulation of Ion Beam Etching as technology process for creating graphene-based membranes
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Carbon nanomaterials present new possibilities for creating permeable membranes. Ionic beam etching technology allows to create pores in graphene substrates and has the potential to be used in various separation processes. In our study we present a molecular dynamics simulation of the energy needed to puncture the graphene surface to create porous surface. Experimental part shows dependency of irradiation time to pore diameter on silica substrate, which indicates it is possible to create pore diameters lesser than the beam diameter. We present a technology process of creating pores of a specific diameter.
 A.D. McNaught, A. Wilkinson, Compendium of Chemical Terminology, 2nd edition, The “Gold Book” Compiled by Blackwell Scientific Publications, Oxford, 1997.
 R.K. Joshi, P. Carbone, F.C. Wang, V.G. Kravets, Y. Su, I.V. Grigorieva, H.A. Wu, A.K.Geim, R.R. Nair, “Precise and ultrafast molecular sieving through graphene oxide membranes,” Science, vol. 343, pp. 752-754, 2014.
 D. Cohen-Tanugi, J.C. Grossman, “Water desalination across nanoporous grapheme,” Nano Letters, vol. 12, no. 7, pp. 3602-3608, 2012.
 O. Lehtinen, J. Kotakoski, A.V. Krasheninnikov, J. Keinonen, “Cutting and controlled modification of graphene with ion beams,” Nanotechnology, vol. 22, pp. 175306, 2011.
 T.C O'Connor, J. Andzelm, M.O. Robbins, “AIREBO-M: a reactive model for hydrocarbons at extreme pressures,” The Journal of Chemical Physics, vol. 142, no. 2, pp. 024903, 2015.
 S. Plimpton, “Fast parallel algorithms for short-range molecular dynamics,” J. Comp. Phys., vol. 117, pp. 1-19, 1995.
 A. Stukowski, “Visualization and analysis of atomistic simulation data with OVITO - the open visualization tool,” Modelling Simul. Mater. Sci. Eng., vol. 18, pp. 015012, 2010.