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

2014-01-01
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.
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE

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Citation Formats
S. Alaei and Ş. Erkoç, “Structural Properties of beta-Fe2O3 Nanorods Under Strain: Molecular Dynamics Simulations,” JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, pp. 242–248, 2014, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/57641.