Structural Properties of beta-Fe2O3 Nanorods Under Strain: Molecular Dynamics Simulations
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, cilt.11, sa.1, ss.242-248, 2014 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 11 Sayı: 1
- Basım Tarihi: 2014
- Doi Numarası: 10.1166/jctn.2014.3344
- Dergi Adı: JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.242-248
- Orta Doğu Teknik Üniversitesi Adresli: Evet
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.