2016/06/03 by Janaína Maniezo de Sousa, T. Botari, de Sousa, J. M. +7 · 1 citation
Engineering · Materials Science · #Computational Physics (physics.comp-ph) #Diamond and Carbon-based Materials Research #FOS: Physical sciences #Graphene research and applications #Materials Science (cond-mat.mtrl-sci) #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Nanowire Synthesis and Applications
paper · pdf · doi:10.48550/arxiv.1606.01055
openalex publication_date 2016/06/03 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Carbon nitride-based nanostructures have attracted special attention (from\ntheory and experiments) due to their remarkable electromechanical properties.\nIn this work we have investigated the mechanical properties of some\ngraphene-like carbon nitride membranes through fully atomistic reactive\nmolecular dynamics simulations. We have analyzed three different structures of\nthese CN families, the so-called graphene-based g-CN, triazine-based g-C3N4 and\nheptazine-based g-C3N4. The stretching dynamics of these membranes was studied\nfor deformations along their two main axes and at three different temperatures:\n10K, 300K and 600K. We show that g-CN membranes have the lowest ultimate\nfracture strain value, followed by heptazine-based and triazine-based ones,\nrespectively. This behavior can be explained in terms of their differences in\nterms of density values, topologies and types of chemical bonds. The dependency\nof the fracture patterns on the stretching directions is also discussed.\n