TY - JOUR
T1 - Effects of confinement on the phase behavior of supercooled water
AU - Koga, Kenichiro
AU - Zeng, X. C.
AU - Tanaka, Hideki
N1 - Funding Information:
We thank Dr. O. Mishima for helpful discussion. XCZ thanks NSF and ONR for support of this work. HT is grateful to the Japan Ministry of Education and the computer center of IMS.
Copyright:
Copyright 2018 Elsevier B.V., All rights reserved.
PY - 1998/3/20
Y1 - 1998/3/20
N2 - Molecular dynamics simulations are performed to investigate phase behavior of a thin film (thickness d~2 nm) of supercooled water confined between two parallel planar walls. In contrast to bulk supercooled water, the confined water, under fixed normal pressures of 0.1 MPa and 500 MPa, does not exhibit the high density amorphous (HDA) to low density amorphous (LDA) liquid-liquid phase transition in the course of the cooling process. A possible explanation is that when the water is confined between two walls, the bulk HDA-LDA phase boundary and the associated critical point C′ shift to lower temperature or/and lower Pzz (confinement pressure) as decreasing the film thickness.
AB - Molecular dynamics simulations are performed to investigate phase behavior of a thin film (thickness d~2 nm) of supercooled water confined between two parallel planar walls. In contrast to bulk supercooled water, the confined water, under fixed normal pressures of 0.1 MPa and 500 MPa, does not exhibit the high density amorphous (HDA) to low density amorphous (LDA) liquid-liquid phase transition in the course of the cooling process. A possible explanation is that when the water is confined between two walls, the bulk HDA-LDA phase boundary and the associated critical point C′ shift to lower temperature or/and lower Pzz (confinement pressure) as decreasing the film thickness.
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U2 - 10.1016/S0009-2614(98)00035-9
DO - 10.1016/S0009-2614(98)00035-9
M3 - Article
AN - SCOPUS:0032549203
SN - 0009-2614
VL - 285
SP - 278
EP - 283
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 3-4
ER -