YongQuan Wu

Find an error

Name: 吴永全; YongQuan Wu
Organization: Shanghai University
Department: Shanghai Key Laboratory of Modern Metallurgy & Materials Processing
Title: Professor
Co-reporter:Jie Luo, Yewei Jiang, Ronggang Yu, Yongquan Wu
Chemical Physics Letters 2017 Volume 678(Volume 678) pp:
Publication Date(Web):16 June 2017
DOI:10.1016/j.cplett.2017.04.043
•Two patterns, outward and inward, designed for the evolutions of density and order.•An evolution degree R defined to normalize densification and structural ordering.•For SLCs, ordering precedes densification; for precursors, just on the contrary.•A new finding, dip-rebound phenomenon, solves which triggers crystallization.In this paper, we performed an NPT molecular dynamics simulation of crystallization process of HCP-Mg to probe the competition between densification and structural ordering. Two opposite layering patterns, i.e. outward and inward, were designed for analysis. From the perspective of solid-like cluster (SLC) itself, structural ordering always precedes densification; but from the perspective of SLC’s precursor, structural ordering always lags behind densification; the reversion occurs at the closest two liquid layers around SLC. We call it dip-rebound phenomenon. This phenomenon is a completely new finding. It resolves, to some extent, recent debate about whether densification or structural ordering triggers crystallization.Download high-res image (176KB)Download full-size image
Co-reporter:Yongquan Wu, Tong Shen, Xionggang Lu
Chemical Physics Letters 2013 564() pp: 41-46
Publication Date(Web):
DOI:10.1016/j.cplett.2013.01.070
Propanoic acid, 2-[[(ethylthio)thioxomethyl]thio]-2-methyl-
3,6-bis(4-bromophenyl)-2,5-dihydro-Pyrrolo[3,4-c]pyrrole-1,4-dione
"1,2-Bis(2-aminoethoxy)ethane"