Auxeticity modifications and unit cell doubling in Yukawa fcc crystals with [001]-nanochannels filled by hard spheres

Abstract In recent years, the investigation of auxetic materials is receiving more and attention due to their wide range applications which follow enhancing indentation resistance, toughness, shear other advantages such materials. This work reports results studies models metamaterials with nanoinclusions. Yukawa crystals nanoinclusions in form nanochannels (NCs) [001] crystallographic direction, filled by hard spheres, were simulated Monte Carlo a pressures determine elastic properties. Particular has been devoted Poisson’s ratio (PR). It found that depending on NCs’ type pressure, value PR can vary from −0.302(12) 1.083(14). The microscopic structures also examined detail. A solid-solid phase transition host-guest system (the crystal spheres) was observed. Interestingly, this generates unit cell doubling along NCs. To localize transition, apart structure, as sensitive indicator applied. addition, it studied systems for certain pressure values are completely non-auxetic, despite both sphere without inclusions partially at same conditions. indicates presence NCs not only enhance auxeticity comparison but also, some thermodynamic conditions, lead non-auxetic behavior Hence, one use tune properties crystals.