Thermodynamic Properties of Ice: A Monte Carlo Study

TL;DR

This paper uses Monte Carlo simulations to explore the thermodynamic properties of ice, including residual entropy and phase transitions, providing new computational methods and insights into ice's behavior at different temperatures.

Contribution

Introduces a novel Monte Carlo scheme for calculating residual entropy and studies phase transitions in energetic ice models using Python implementations.

Findings

Residual entropy computed for 2D ice model

Discovery of a phase transition at non-zero temperatures in energetic ice

Open-source Python code available for further research

Abstract

In this text, we implement a monte carlo algorithm to study thermodynamic properties of ice. Our program, written in Python, is open-sourced and available at https://github.com/AKnightWing/ColdAsIce. We develop a novel scheme to compute the residual entropy of a two dimensional lattice model of ice at absolute zero. A model of energetic ice is also considered and its thermodynamic properties are studied with temperature. We report a remarkable result for the energetic ice model, the presence of a phase transition at non zero temperatures.