IFLYSIB   05383
INSTITUTO DE FISICA DE LIQUIDOS Y SISTEMAS BIOLOGICOS
Unidad Ejecutora - UE
artículos
Título:
Crossover between tetrahedral and hexagonal structures in liquid water
Autor/es:
CHARA OSVALDO; MCCARTHY ANDRÉS NORMAN; GRIGERA JOSÉ RAÚL
Revista:
PHYSICS LETTERS A
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Año: 2011 vol. 375 p. 572 - 576
ISSN:
0375-9601
Resumen:
It is widely accepted that liquid water structure is comprised of two
closely interweaved components; i.e. tetrahedral (low density) and
hexagonal (high density) structures. The relative amount of these
components is temperature and pressure dependent. We propose an order
parameter, based on the radial distribution function, that quantifies
the relative structural composition at any defined temperature and
pressure, thus establishing the crossover point in structural dominance.
At 300 K this point lies close to 2 kbar, pressure at which water
looses most of its anomalous properties.