Vol. 15, No. 2, 2020

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Hexagonal boron nitride nanostructures: a nanoscale mechanical modeling

Alessandra Genoese, Andrea Genoese and Ginevra Salerno

Vol. 15 (2020), No. 2, 249–275
Abstract

The paper deals with a numerical model for hexagonal boron nitride nanostructures. The model is developed in finite kinematics and takes into account binary, ternary and quaternary atomic interactions, described through the UFF potential with an ad-hoc set of parameters. Once validated with respect to ab-initio results of the tensile failure of boron nitride sheets under periodic conditions, the model is used to study the response of a sheet of finite size under traction, compression and shear.

Keywords
hexagonal boron nitride nanostructures, UFF potential, out-of-plane buckling
Milestones
Received: 10 December 2019
Revised: 17 February 2020
Accepted: 24 February 2020
Published: 8 April 2020
Authors
Alessandra Genoese
LIMES, Dipartimento di Architettura, Università Roma Tre
00184 Rome
Italy
Andrea Genoese
LIMES, Dipartimento di Architettura, Università Roma Tre
00184 Rome
Italy
Ginevra Salerno
LIMES, Dipartimento di Architettura, Università Roma Tre
00184 Rome
Italy