arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2108.04799cond-mat.stat-mech
收藏

二维伊辛模型中随机杂质的成核速率

Nucleation rate in the two dimensional Ising model in the presence of random impurities

Dipanjan Mandal, David Quigley

摘要:

成核现象在自然界中普遍存在,在每个实际和实验系统中杂质的存在是不可避免的。然而,成核的数值研究几乎总是对完全纯的体系进行的。本文研究了二维伊辛模型中存在随机分布的静态和动态杂质时液滴自由能的行为。我们已经表明,在静态情况下,自由能垒高度和临界核尺寸都随着杂质密度的增加而单调减小。我们比较了经典成核理论和前向通量取样法对不同密度静态杂质的成核速率。结果显示出良好的一致性。在动态杂质的情况下,当温度较低时,我们观察到杂质在核的边界位置的优先占据。由于有效界面自由能的降低,这进一步促进了成核速率的提高。

英文摘要:

Nucleation phenomena are ubiquitous in nature and the presence of impurities in every real and experimental system is unavoidable. Yet numerical studies of nucleation are nearly always conducted for entirely pure systems. We have studied the behaviour of the droplet free energy in two dimensional Ising model in the presence of randomly positioned static and dynamic impurities. We have shown that both the free energy barrier height and critical nucleus size monotonically decreases with increasing the impurity density for the static case. We have compared the nucleation rates obtained from Classical Nucleation Theory and the Forward Flux Sampling method for different densities of the static impurities. The results show good agreement. In the case of dynamic impurities, we observe preferential occupancy the impurities at the boundary positions of the nucleus when the temperature is low. This further boosts enhancement of the nucleation rate due to lowering of the effective interfacial free energy.

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。

↑