Interplay between freezing and density anomaly in a confined core-softened system

TL;DR

This study uses computer simulations to explore how confinement affects the density anomaly in a core-softened system, revealing that pore width influences crystallization and local density distribution.

Contribution

It demonstrates the impact of confinement on the density anomaly and crystallization temperature in a core-softened potential system, highlighting the role of particle-wall interactions.

Findings

Density anomaly temperature maximum is independent of pore width.

Reducing slit pore width increases crystallization temperature.

Particle-wall interactions influence local density distribution.

Abstract

We present a computer simulation study of influence of the confinement on the density anomaly in the system with isotropic core-softened potential which is used for a qualitative description of the anomalous behavior of water and some other liquids. We have found that a maximum temperature of the density anomaly region along an isochor $\rho=0.5$ does not depend on the pore width. We have shown that a decrease in the width of the confining slit pore leads to an increase in the crystallization temperature and as a result the local density distribution is mostly controlled by the particle-wall interaction, which leads to the depression of the density anomaly.