The force constants related to the bond stretching and angular variation of boron nitride, silicon carbide, aluminium nitride and gallium nitride nanosheets are directly evaluated from ab-initio reference solutions of the Young’s modulus and the Poisson’s ratio. To this end, the analytical expressions of the elastic constants of a generic monolayer hexagonal diatomic sheet are derived, starting from its sticks-and-springs molecular mechanics model, through proper tools of the homogenization of peri- odic discrete media. Num
Genoese, A., Genoese, A., Rizzi, N.L., Salerno, G. (2018). Force constants of BN, SiC, AlN and GaN sheets through discrete homogenization. MECCANICA, 53(3), 593-611 [10.1007/s11012-017-0686-1].
Force constants of BN, SiC, AlN and GaN sheets through discrete homogenization
Alessandra GenoeseMembro del Collaboration Group
;Andrea GenoeseMembro del Collaboration Group
;Nicola Luigi RizziMembro del Collaboration Group
;Ginevra Salerno
Membro del Collaboration Group
2018-01-01
Abstract
The force constants related to the bond stretching and angular variation of boron nitride, silicon carbide, aluminium nitride and gallium nitride nanosheets are directly evaluated from ab-initio reference solutions of the Young’s modulus and the Poisson’s ratio. To this end, the analytical expressions of the elastic constants of a generic monolayer hexagonal diatomic sheet are derived, starting from its sticks-and-springs molecular mechanics model, through proper tools of the homogenization of peri- odic discrete media. NumI documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
