Embedded atom method-based geometry optimization aspects of body-centered cubic metals
[ X ]
Tarih
2013
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
We present embedded atom method-based geometry optimization calculations for Fe, Cr, Mo, Nb, Ta, V and W body-centered cubic metals with Finnis - Sinclair potentials. After the optimization, we determine their typical elastic constants, bulk modulus, shear modulus, Young's modulus, Poisson's ratios, elastic wave velocities and cohesive energies. Additionally, we perform a benchmark between the experiments and the available density functional theory results. In general, our results show a good consistency with previous findings on the elastic and cohesive energy properties of the considered metals. © 2013 Chinese Physical Society and IOP Publishing Ltd.
Açıklama
Anahtar Kelimeler
[Belirlenecek]
Kaynak
Chinese Physics Letters
WoS Q Değeri
N/A
Scopus Q Değeri
Q1
Cilt
30
Sayı
5
Künye
Güler, M., & Güler, E. (2013). Embedded atom method-based geometry optimization aspects of body-centered cubic metals. Chinese Physics Letters, 30(5), 056201.
