Open AccessMolecular dynamics investigation of the glass transition at high-pressure in the phase separation liquid
Author(s) -
Meili Li,
Fu Xing-Ye,
Sun Hong-Ning,
Zhao Hong-yan,
Lin Cong,
Duan Yong-Ping,
Yuanliang Yan,
Minhua Sun
Publication year - 2009
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.58.5604
Subject(s) - glass transition , materials science , relaxation (psychology) , phase transition , molecular dynamics , phase (matter) , high pressure , dynamics (music) , thermodynamics , chemical physics , chemistry , physics , polymer , composite material , psychology , social psychology , computational chemistry , organic chemistry , acoustics
Molecular dynamics simulation is performed to study the phase separation and the glass transition of a binary liquid mixture when the external pressure is increased from 0 to 2.75 GPa. The structure and dynamic characteristics in the glass transition process are calculated. We find that external pressure will promote the phase separation, and make the glass transition temperature increase. The external pressure will make the transition temperature become higher, at which the β relaxation emerge, the time of β relaxation becomes longer, and the diffusibility of the system becomes lower. We first found that in the phase separation liquid microscopic heterogeneity exists during the glass transition.