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Structural Properties of beta-Fe2O3 Nanorods Under Strain: Molecular Dynamics Simulations
Date
2014-01-01
Author
Alaei, Sholeh
Erkoç, Şakir
Metadata
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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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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.