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

Date

2014-01-01

Author

Alaei, Sholeh
Erkoç, Şakir

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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.

Subject Keywords

beta-Fe2O3, Nanorod, Atonnistic Potential, Molecular Dynamics

URI

https://hdl.handle.net/11511/57641

Journal

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE

DOI

https://doi.org/10.1166/jctn.2014.3344

Collections

Department of Physics, Article

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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.