Water at Positive and Negative Pressures
| dc.creator | Stanley, H. E. | |
| dc.creator | Barbosa, M. C. | |
| dc.creator | Mossa, S. | |
| dc.creator | Netz, P. A. | |
| dc.creator | Sciortino, F. | |
| dc.creator | Starr, F. W. | |
| dc.creator | Yamada, M. | |
| dc.date | 2002-06-27 | |
| dc.date.accessioned | 2026-07-07T02:46:00Z | |
| dc.date.available | 2026-07-07T02:46:00Z | |
| dc.description | We review recent results of molecular dynamics simulations of two models of liquid water, the extended simple point charge (SPC/E) and the Mahoney-Jorgensen transferable intermolecular potential with five points (TIP5P), which is closer to real water than previously-proposed classical pairwise additive potentials. Simulations of the TIP5P model for a wide range of deeply supercooled states, including both positive and negative pressures, reveal (i) the existence of a non-monotonic ``nose-shaped'' temperature of maximum density (TMD) line and a non-reentrant spinodal, (ii) the presence of a low temperature phase transition. The TMD that changes slope from negative to positive as P decreases and, notably, the point of crossover between the two behaviors is located at ambient pressure (temperature approx 4 C, and density approx 1 g/cm^3). Simulations on the dynamics of the SPC/E model reveal (iii) the dynamics at negative pressure shows a minimum in the diffusion constant $D$ when the density is decreased at constant temperature, complementary to the known maximum of D at higher pressures, and (iv) the loci of minima of D relative to the spinodal shows that they are inside the thermodynamically metastable regions of the phase-diagram. These dynamical results reflect the initial enhancement and subsequent breakdown of the tetrahedral structure and of the hydrogen bond network as the density decreases. | |
| dc.description | 10 pages, 4 PostScript figures | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0206542 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0206542 | |
| dc.identifier | Proc NATO Advanced Research Workshop "Liquids Under Negative Pressure", February 23-25, 2002 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/19510 | |
| dc.subject | Soft Condensed Matter | |
| dc.subject | Materials Science | |
| dc.subject | Statistical Mechanics | |
| dc.title | Water at Positive and Negative Pressures | |
| dc.type | text |