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Structural Properties of beta-Fe2O3 Nanorods Under Strain: Molecular Dynamics Simulations

Alaei, Sholeh
Erkoç, Şakir
Structural properties of beta-Fe2O3 nanorods under uniaxial strain have been investigated by performing molecular dynamics simulations at different temperatures. Two different atomistic potential energy functions (PEFs) were used to make a comparative study. It followed from our results that the PEF used to model a given material was rather significant; different PEFs would give rise to different characteristics for the same material.