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Molecular dynamics study on composition and temperature dependences of mechanical properties of CdTeSe nanowires under uniaxial stretching      
Yazarlar
Öğr. Gör. Bilal KÖYLÜOĞLU Öğr. Gör. Bilal KÖYLÜOĞLU
Türkiye
Mustafa Kurban
Türkiye
Sholeh Alaei
Özet
In this study, a molecular dynamics (MD) study has been performed on composition and temperature dependences of mechanical properties of CdTe1-xSex (x = 0.25, 0.50 and 0.75) nanowires with a diameter of 6.93 nm. The simulation results show that CdTe0.75Se0.25 nanowire seems to be more ductile, whereas CdTe0.25Se0.75 nanowire seems to be more brittle at 1 K. Moreover, the temperature and composition exert significant effects on the mechanical properties of CdTeSe nanowires under stretching. We conclude that the dominancy of Se atoms yields a higher stability and strength at the lower temperature of 1 K, whilst it is the same for the nanowires with both higher Te and Se contents at the higher temperature of 300 K. The radial distribution functions (RDFs) have also been calculated for the CdTeSe nanowires based on the pair separation distance at 1 and 300 K.
Anahtar Kelimeler
bond order potential | CdTeSe nanowires | Molecular dynamics | strain
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı INTERNATIONAL JOURNAL OF MODERN PHYSICS B
Dergi ISSN 0217-9792
Dergi Tarandığı Indeksler SCI-Expanded
Dergi Grubu Q4
Makale Dili Türkçe
Basım Tarihi 12-2019
Cilt No 33
Sayı 31
Doi Numarası 10.1142/S0217979219503739
Makale Linki http://dx.doi.org/10.1142/s0217979219503739