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


Alaei S., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, cilt.11, ss.242-248, 2014 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 11 Konu: 1
  • Basım Tarihi: 2014
  • Doi Numarası: 10.1166/jctn.2014.3344
  • Dergi Adı: JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
  • Sayfa Sayıları: ss.242-248

Özet

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.