LAUSR.org creates dashboard-style pages of related content for over 1.5 million academic articles. Sign Up to like articles & get recommendations!

Stability of the high-density Jagla liquid in 2D: sensitivity to parameterisation.

Photo from wikipedia

We computed the pressure-temperature phase diagram of the hard-core two-scale ramp potential in two-dimensions, with the parameterisation originally suggested by Jagla [E. A. Jagla, Phys. Rev. E, 63, 061501 (2001)],… Click to show full abstract

We computed the pressure-temperature phase diagram of the hard-core two-scale ramp potential in two-dimensions, with the parameterisation originally suggested by Jagla [E. A. Jagla, Phys. Rev. E, 63, 061501 (2001)], as well as with a series of systematically modified variants of the model to reveal the sensitivity of the stability of phases. The nested sampling method was used to explore the potential energy landscape, allowing the identification of thermodynamically relevant phases, such as low- and high-density liquids and various crystalline forms, some of which have not been reported before. We also proposed a smooth version of the potential, which is differentiable beyond the hard-core. This potential reproduces the density anomaly, but forms a dodecahedral quasi-crystal structure at high pressure. Our results allow to hypothesise on the necessary modifications of the original model in order to improve the stability of the metastable high-density liquid phase in 3D.

Keywords: density; sensitivity; jagla; high density; stability high

Journal Title: Soft matter
Year Published: 2022

Link to full text (if available)


Share on Social Media:                               Sign Up to like & get
recommendations!

Related content

More Information              News              Social Media              Video              Recommended



                Click one of the above tabs to view related content.