On the behavior of single-particle dynamic properties of liquid Hg and other metals
Küçük Resim Yok
Tarih
2008
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Amer Inst Physics
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Recent experiments and classical molecular dynamics simulations performed on liquid Hg near melting have suggested the existence of two processes with different time scales in its single-particle dynamics. We report a study of this system by using ab initio molecular dynamics simulations, which recover the same kind of behavior, and we analyze it in terms of a theoretical approach, which clarifies its origin. We show that the previous interpretation has been induced by the unphysical extension of the diffusive model to short times. Moreover, we also find that quite different liquid metals, such as Si and Mg, also exhibit a similar behavior as Hg, with the only difference being in the time scales involved due to the different masses and interactions.
Açıklama
Anahtar Kelimeler
Ab Initio Calculations, Diffusion, Liquid Metals, Liquid Structure, Liquid Theory, Magnesium, Melting, Mercury (Metal), Molecular Dynamics Method, Silicon, Molecular-Dynamics, Mercury
Kaynak
Journal Of Chemical Physics
WoS Q Değeri
Q1
Scopus Q Değeri
Q1
Cilt
129
Sayı
17
