首页|Auxetic properties of a newly proposed gamma-graphyne-like material
Auxetic properties of a newly proposed gamma-graphyne-like material
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NSTL
Elsevier
A new auxetic (negative Poisson's ratio values) structure based on a gamma-graphyne structure, here named A gamma G structure, is proposed. The A gamma G structural/mechanical and electronic properties, as well as its thermal stability, were investigated using classical reactive and quantum molecular dynamics simulations. A gamma G is shown to have a bandgap larger than 1.6 eV and be thermally stable at a large range of temperatures. The classical and quantum results validate that the A gamma G is auxetic, both when isolated (vacuum) and when deposited on a copper substrate. We believe that this is the densest auxetic structure belonging to the graphyne-like families.
Carbon materialsElastic propertiesSimulation and modellingREACTIVE FORCE-FIELDMECHANICAL-PROPERTIESPOISSONS RATIONETWORKSCONSTRUCTIONPREDICTIONSRESISTANCEREAXFF
da Silva, Tales J.、Caldas, Marilia J.、Galvao, Douglas S.、Fonseca, Alexandre F.、Paupitz, Ricardo
NSTL
Elsevier
