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arXiv 2103.13837cond-mat.stat-mech
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用布居退火测量玻璃熵

Measuring glass entropies with population annealing

Christopher Amey, Jonathan Machta

摘要:

我们结合人口退火蒙特卡罗和几个热力学积分技术来测量平衡振动和构型熵的亚稳流体制度超越动态玻璃化转变。我们得到了一个三维二元混合硬球系统的结果。我们的结果表明,构型熵消失之前的平衡压力发散,这意味着一个潜在的热力学玻璃化转变存在的系统。计算方法是通用的,可以应用于各种玻璃成形系统,但限于小系统尺寸。

英文摘要:

We combine population annealing Monte Carlo and several thermodynamic integration techniques to measure equilibrium vibrational and configurational entropies in the metastable fluid regime beyond the dynamic glass transition. We obtain results for a three-dimensional binary mixture hard sphere system. Our results suggest that the configurational entropy vanishes before the equilibrium pressure diverges, which implies that an underlying thermodynamic glass transition exists for this system. The computational methods are general and can be applied to a variety of glass forming systems but are restricted to small system sizes.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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