论文标题
冰的热力学特性:蒙特卡洛研究
Thermodynamic Properties of Ice: A Monte Carlo Study
论文作者
论文摘要
在本文中,我们实施了一种蒙特卡洛算法来研究冰的热力学特性。我们的程序用Python编写,是开源的,可在https://github.com/aknightwing/coldasice上找到。我们开发了一种新的方案,以计算绝对零以冰的二维晶格模型的残留熵。还考虑了一种能量冰模型,并研究了其热力学特性。我们报告了能量冰模型的显着结果,即在非零温度下的相变存在。
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.