Nanoscale Dynamics of Phase Flipping in Water near its Hypothesized Liquid-Liquid Critical Point

被引：111

作者：

Kesselring, T. A. ^{[1
]}

Franzese, G. ^{[2
]}

Buldyrev, S. V. ^{[3
]}

Herrmann, H. J. ^{[1
,4
]}

Stanley, H. E. ^{[5
,6
]}

机构：

[1] ETH, CH-8093 Zurich, Switzerland

[2] Univ Barcelona, Dept Fis Fonomental, E-08028 Barcelona, Spain

[3] Yeshiva Univ, Dept Phys, New York, NY 10033 USA

[4] Univ Fed Ceara, Dept Fis, BR-60451970 Fortaleza, Ceara, Brazil

[5] Boston Univ, Ctr Polymer Studies, Boston, MA 02215 USA

[6] Boston Univ, Dept Phys, Boston, MA 02215 USA

来源：

SCIENTIFIC REPORTS | 2012年 / 2卷

基金：

美国国家科学基金会;

关键词：

DENSITY; THERMODYNAMICS; TRANSFORMATION; TRANSITION; MECHANISM; MODEL;

D O I：

10.1038/srep00474

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

One hypothesized explanation for water's anomalies imagines the existence of a liquid-liquid (LL) phase transition line separating two liquid phases and terminating at a LL critical point. We simulate the classic ST2 model of water for times up to 1000 ns and system size up to N = 5729. We find that for state points near the LL transition line, the entire system flips rapidly between liquid states of high and low density. Our finite-size scaling analysis accurately locates both the LL transition line and its associated LL critical point. We test the stability of the two liquids with respect to the crystal and find that of the 350 systems simulated, only 3 of them crystallize and these 3 for the relatively small system size N = 5343 while for all other simulations the incipient crystallites vanish on a time scales smaller than approximate to 100 ns.

引用

页数：6

共 36 条

[1] Widom line and the liquid-liquid critical point for the TIP4P/2005 water model [J].