Multi-disclinational description of pentagonal particles with subsurface layer free of twin boundaries.

We present the results on the modelling of structural changes in pentagonal small particles (PSPs) during their growth. We prove that after a certain critical size it becomes energetically favourable for a PSP to form a subsurface layer free of twin boundaries (TBs), which are only typical structural elements for smaller size PSPs. In this layer, the low-angle dislocation boundaries (DBs) are formed. Our calculations of the energy stored in the transformed PSP are based on the disclination model of a PSP, in which the TB junctions, as well as TB–DB junctions are treated as wedge disclinations. [ABSTRACT FROM PUBLISHER]