Examination of mechanical properties of graphene allotropes by means of computer simulation

• Autorzy: Mrozek, A. , Burczyński, T.
• Języki publikacji: EN

Abstrakty

EN

The effective mechanical properties and the stress-strain relations of the eight types of the graphene allotropes are presented in this paper. Series of the tensile and shear tests are performed using the nonequilibrium molecular dynamics (NEMD) and the adaptive intermolecular reactive bond order (AIREBO) potential. The methodology of the investigation as well as obtained results are explained and discussed in detail. Where possible, the achieved results are compared with the data available in the scientific literature in order to validate our molecular dynamics models and simulations. In other cases, i.e., where only information about structural or electronic properties is available, presented results can complement the knowledge about these particular planar carbon networks.

Słowa kluczowe

PL

grafen; nanomechanika; dynamika molekularna; właściwości mechaniczne

EN

graphene; nanomechanics; molecular dynamics; mechanical properties

• Czasopismo: Computer Assisted Methods in Engineering and Science
• Rocznik: 2013
• Tom: Vol. 20, no. 4
• Strony: 309--323
• Opis fizyczny: Bibliogr. 37 poz., rys., tab., wykr.

Twórcy

autor

Mrozek, A.

• AGH University of Science and Technology al. Mickiewicza 30, 30-059 Kraków, Poland,

autor

Burczyński, T.

• Institute of Fundamental Technological Research, Polish Academy of Sciences Pawińskiego 5B, 02-106 Warszawa, Poland

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