Structure of coexisting liquid phases of supercooled water

Analogy with ice polymorphs

P. Jedlovszky, Lívia B. Pártay, Albert P. Bartók, Giovanni Garberoglio, Renzo Vallauri

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

The structural changes occurring in supercooled liquid water upon moving from one coexisting liquid phase to the other have been investigated by computer simulation using a polarizable interaction potential model. The obtained results favorably compare with recent neutron scattering data of high and low density water. In order to assess the physical origin of the observed structural changes, computer simulation of several ice polymorphs has also been carried out. Our results show that there is a strict analogy between the structure of various disordered (supercooled) and ordered (ice) phases of water, suggesting that the occurrence of several different phases of supercooled water is rooted in the same physical origin that is responsible for ice polymorphism.

Original languageEnglish
Article number241103
JournalThe Journal of Chemical Physics
Volume126
Issue number24
DOIs
Publication statusPublished - 2007

Fingerprint

Ice
Polymorphism
liquid phases
ice
Water
Liquids
water
computerized simulation
polymorphism
Computer simulation
Neutron scattering
neutron scattering
occurrences
liquids
interactions

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Structure of coexisting liquid phases of supercooled water : Analogy with ice polymorphs. / Jedlovszky, P.; Pártay, Lívia B.; Bartók, Albert P.; Garberoglio, Giovanni; Vallauri, Renzo.

In: The Journal of Chemical Physics, Vol. 126, No. 24, 241103, 2007.

Research output: Contribution to journalArticle

Jedlovszky, P. ; Pártay, Lívia B. ; Bartók, Albert P. ; Garberoglio, Giovanni ; Vallauri, Renzo. / Structure of coexisting liquid phases of supercooled water : Analogy with ice polymorphs. In: The Journal of Chemical Physics. 2007 ; Vol. 126, No. 24.
@article{4b7cdf64e53a4af3b6b4e2e3691044f2,
title = "Structure of coexisting liquid phases of supercooled water: Analogy with ice polymorphs",
abstract = "The structural changes occurring in supercooled liquid water upon moving from one coexisting liquid phase to the other have been investigated by computer simulation using a polarizable interaction potential model. The obtained results favorably compare with recent neutron scattering data of high and low density water. In order to assess the physical origin of the observed structural changes, computer simulation of several ice polymorphs has also been carried out. Our results show that there is a strict analogy between the structure of various disordered (supercooled) and ordered (ice) phases of water, suggesting that the occurrence of several different phases of supercooled water is rooted in the same physical origin that is responsible for ice polymorphism.",
author = "P. Jedlovszky and P{\'a}rtay, {L{\'i}via B.} and Bart{\'o}k, {Albert P.} and Giovanni Garberoglio and Renzo Vallauri",
year = "2007",
doi = "10.1063/1.2753145",
language = "English",
volume = "126",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "24",

}

TY - JOUR

T1 - Structure of coexisting liquid phases of supercooled water

T2 - Analogy with ice polymorphs

AU - Jedlovszky, P.

AU - Pártay, Lívia B.

AU - Bartók, Albert P.

AU - Garberoglio, Giovanni

AU - Vallauri, Renzo

PY - 2007

Y1 - 2007

N2 - The structural changes occurring in supercooled liquid water upon moving from one coexisting liquid phase to the other have been investigated by computer simulation using a polarizable interaction potential model. The obtained results favorably compare with recent neutron scattering data of high and low density water. In order to assess the physical origin of the observed structural changes, computer simulation of several ice polymorphs has also been carried out. Our results show that there is a strict analogy between the structure of various disordered (supercooled) and ordered (ice) phases of water, suggesting that the occurrence of several different phases of supercooled water is rooted in the same physical origin that is responsible for ice polymorphism.

AB - The structural changes occurring in supercooled liquid water upon moving from one coexisting liquid phase to the other have been investigated by computer simulation using a polarizable interaction potential model. The obtained results favorably compare with recent neutron scattering data of high and low density water. In order to assess the physical origin of the observed structural changes, computer simulation of several ice polymorphs has also been carried out. Our results show that there is a strict analogy between the structure of various disordered (supercooled) and ordered (ice) phases of water, suggesting that the occurrence of several different phases of supercooled water is rooted in the same physical origin that is responsible for ice polymorphism.

UR - http://www.scopus.com/inward/record.url?scp=34547365983&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=34547365983&partnerID=8YFLogxK

U2 - 10.1063/1.2753145

DO - 10.1063/1.2753145

M3 - Article

VL - 126

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 24

M1 - 241103

ER -