Thermodynamic and dynamic anomalies for a three dimensional isotropic core-softened potential

Physics – Condensed Matter – Soft Condensed Matter

Scientific paper

Rate now

  [ 0.00 ] – not rated yet Voters 0   Comments 0

Details

16 pages

Scientific paper

10.1063/1.2168458

Using molecular dynamics simulations and integral equations (Rogers-Young, Percus-Yevick and hypernetted chain closures) we investigate the thermodynamic of particles interacting with continuous core-softened intermolecular potential. Dynamic properties are also analyzed by the simulations. We show that, for a chosen shape of the potential, the density, at constant pressure, has a maximum for a certain temperature. The line of temperatures of maximum density (TMD) was determined in the pressure-temperature phase diagram. Similarly the diffusion constant at a constant temperature, $D$, has a maximum at a density $\rho_{max}$ and a minimum at a density $\rho_{min}<\rho_{max}$. In the pressure-temperature phase-diagram the line of extrema in diffusivity is outside of TMD line. Although in this interparticle potential lacks directionality, this is the same behavior observed in SPC/E water.

No associations

LandOfFree

Say what you really think

Search LandOfFree.com for scientists and scientific papers. Rate them and share your experience with other people.

Rating

Thermodynamic and dynamic anomalies for a three dimensional isotropic core-softened potential does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Thermodynamic and dynamic anomalies for a three dimensional isotropic core-softened potential, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Thermodynamic and dynamic anomalies for a three dimensional isotropic core-softened potential will most certainly appreciate the feedback.

Rate now

     

Profile ID: LFWR-SCP-O-408694

  Search
All data on this website is collected from public sources. Our data reflects the most accurate information available at the time of publication.