http://www.cnr.it/ontology/cnr/individuo/prodotto/ID262572
Minimum-density anomaly and spatial ordering of softly repulsive particles in a narrow channel (Articolo in rivista)
- Type
- Label
- Minimum-density anomaly and spatial ordering of softly repulsive particles in a narrow channel (Articolo in rivista) (literal)
- Anno
- 2013-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1039/c3sm51831k (literal)
- Alternative label
Prestipino S, Saija F, Sergi A, Giaquinta PV (2013)
Minimum-density anomaly and spatial ordering of softly repulsive particles in a narrow channel
in Soft matter (Print); RSC Publishing, Cambridge (Regno Unito)
(literal)
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- Prestipino S, Saija F, Sergi A, Giaquinta PV (literal)
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- ISI Web of Science (WOS) (literal)
- Scopu (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- CNR-Istituto per i processi chimico-fisici
Dipartimento di Fisica e Scienza della Terra
School of Chemistry and Physics, University of KwaZulu-Natal, Pietermaritzburg, and
National Institute for Theoretical Physics (NITheP), (literal)
- Titolo
- Minimum-density anomaly and spatial ordering of softly repulsive particles in a narrow channel (literal)
- Abstract
- We performed an extensive numerical investigation of a system of repulsive Gaussian particles confined in
a thin cylindrical pore. In this setting, the fluid phase can be cooled down to very low temperatures, thus
bypassing the freezing transition. Focusing on the thermal behavior of the average number density, we
find a range of pressures within which, upon cooling, the system density first approaches a maximum
that is then followed by a minimum at lower temperatures. As the width of the pore is reduced, the
density minimum shifts to larger pressures, in line with what happens in the same model in one
dimension. As far as the system structure is concerned, a pronounced layering is observed at the wall;
moreover, when the pore radius is not too small, the relative fraction of solid-like (i.e., well coordinated)
particles increases overall on cooling, in a somewhat larger amount when crossing the region bounded
by the two density extrema. On account of this phenomenology, we surmise that the anomalous
behavior of the system density stems from the smoothening of the density jump occurring at the threedimensional
freezing point. By analogy, our findings suggest that the essential driving mechanism
leading to the volumetric anomaly exhibited by supercooled water confined in silica nanopores at
ambient pressure is an effective soft repulsion between water molecules at short distances. (literal)
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