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Thermodynamic Properties of Ice: A Monte Carlo Study

2020/10/10 by Tanmay Bhore, Siddharth Chaini, Bhore, Tanmay +8
Chemistry · Earth and Planetary Sciences · Mathematics · Physics and Astronomy · #Arctic and Antarctic ice dynamics #Cryospheric studies and observations #Disordered Systems and Neural Networks (cond-mat.dis-nn) #Dynamic Monte Carlo method #FOS: Physical sciences #Inorganic Fluorides and Related Compounds #Markov chain Monte Carlo #Mathematics #Monte Carlo method #Monte Carlo molecular modeling #Physics #Statistical Mechanics (cond-mat.stat-mech) #Statistical physics #Statistics #cond-mat.dis-nn #cond-mat.stat-mech

paper · pdf · doi:10.48550/arxiv.2010.04964

published in arXiv (Cornell University) (Cornell University) · 11 pages, 19 figures

arxiv created 2020/10/10 · openalex publication_date 2020/10/10 · arxiv updated 2020/10/13 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

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.

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