The paper presents a nonlinear buckling analysis of single-layer graphene sheets using a molecular mechanics model which accounts for binary, ternary, and quaternary interactions between the atoms. They are described using a geometrically exact setting and by the introduction of Morse and cosine potential functions, equipped with an appropriate set of parameters. We examine the critical and post-critical behaviors of graphene, under compression in the zigzag and in the armchair directions, and shear. Our findings show the suitability of standard thin-plates theory for the prediction of simple critical behaviors under various edge constraint conditions.

Genoese, A., Genoese, A., Rizzi, N.L., Salerno, G. (2019). Buckling analysis of single-layer graphene sheets using molecular mechanics. FRONTIERS IN MATERIALS, 6(26) [10.3389/fmats.2019.00026].

Buckling analysis of single-layer graphene sheets using molecular mechanics

Alessandra Genoese
Software
;
Andrea Genoese
Software
;
Nicola Luigi Rizzi
Writing – Review & Editing
;
Ginevra Salerno
Methodology
2019-01-01

Abstract

The paper presents a nonlinear buckling analysis of single-layer graphene sheets using a molecular mechanics model which accounts for binary, ternary, and quaternary interactions between the atoms. They are described using a geometrically exact setting and by the introduction of Morse and cosine potential functions, equipped with an appropriate set of parameters. We examine the critical and post-critical behaviors of graphene, under compression in the zigzag and in the armchair directions, and shear. Our findings show the suitability of standard thin-plates theory for the prediction of simple critical behaviors under various edge constraint conditions.
Genoese, A., Genoese, A., Rizzi, N.L., Salerno, G. (2019). Buckling analysis of single-layer graphene sheets using molecular mechanics. FRONTIERS IN MATERIALS, 6(26) [10.3389/fmats.2019.00026].
File in questo prodotto:
File Dimensione Formato  
(8)_Twins&Riz&Sal_Frontiers_2019.pdf

accesso aperto

Tipologia: Versione Editoriale (PDF)
Licenza: DRM non definito
Dimensione 5.06 MB
Formato Adobe PDF
5.06 MB Adobe PDF Visualizza/Apri

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11590/346962
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 11
  • ???jsp.display-item.citation.isi??? 10
social impact