On the mechanical properties of novamene: A fully atomistic molecular dynamics and DFT investigation
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DOI: 10.1016/j.carbon.2018.07.038
Abstract: We have investigated through fully atomistic reactive molecular dynamics and DFT simulations, the mechanical properties and fracture dynamics of novamene, a new 3D carbon allotrope structure recently proposed. Our results showed that novamene is an… read more here.
Keywords: dynamics dft; molecular dynamics; mechanical properties; fully atomistic ... See more keywords