Structural Properties of beta-Fe2O3 Nanorods Under Strain: Molecular Dynamics Simulations
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, vol.11, no.1, pp.242-248, 2014 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Volume: 11 Issue: 1
- Publication Date: 2014
- Doi Number: 10.1166/jctn.2014.3344
- Journal Name: JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Page Numbers: pp.242-248
- Middle East Technical University Affiliated: Yes
Abstract
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.