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

Alaei, Sholeh; ERKOÇ, ŞAKİR

doi:10.1166/jctn.2014.3344

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

Atıf İçin Kopyala

Alaei S., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, cilt.11, sa.1, ss.242-248, 2014 (SCI-Expanded)

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.