Characterizing the stepwise transformation from a low-density to a very-high-density form of supercooled liquid water
| dc.creator | Paschek, Dietmar | |
| dc.creator | Geiger, Alfons | |
| dc.date | 2005-12-09 | |
| dc.date.accessioned | 2026-07-07T06:53:15Z | |
| dc.date.available | 2026-07-07T06:53:15Z | |
| dc.description | We explore the phase diagram of TIP4P-Ew [J. Chem. Phys. {\bf 120}, 9665 (2004)] liquid model water from the boiling-point down to $150 {K}$ at densities ranging from $0.950 {g} {cm}^{-3}$ to $1.355 {g} {cm}^{-3}$. In addition to the low-density/high-density (LDL/HDL) liquid-liquid transition, we observe a high-density/very-high-density (HDL/VHDL) transformation for the lowest temperatures at $1.30 {g} {cm}^{-3}$. A Van der-Waals type loop suggest the presence of a first order HDL/VHDL transition. In addition, we identify a pre-transition at $1.24 {g} {cm}^{-3}$, suggesting the experimentally detected HDA/VHDA-transformation to be a two-step process. For both pre- and main- HDA/VHDA-transition we observe a step-wise increase of the oxygen coordination number for interstitial water molecules. | |
| dc.description | 4 pages, 4 figures, twocolumn revtex | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0512199 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0512199 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/105516 | |
| dc.subject | Statistical Mechanics | |
| dc.title | Characterizing the stepwise transformation from a low-density to a very-high-density form of supercooled liquid water | |
| dc.type | text |