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没有证据表明双极硬球中存在气-液共存。

No evidence of gas-liquid coexistence in dipolar hard spheres.

机构信息

Dipartimento di Fisica, Università di Roma La Sapienza, Piazzale Aldo Moro 5, 00185 Roma, Italy.

出版信息

Phys Rev Lett. 2011 Dec 2;107(23):237801. doi: 10.1103/PhysRevLett.107.237801. Epub 2011 Nov 28.

Abstract

We report accurate calculations of the particle density of states in the dipolar hard-sphere fluid. Implementing efficient and tailored Monte Carlo algorithms, we are able to explore, in equilibrium, the low temperature region where a phase separation between a dilute gas of chain ends and a high-density liquid of chain junctions has been predicted to occur. Our data clearly show that the density of states remains always single peaked, definitively excluding the possibility of critical phenomena in the investigated temperature and density region. The analysis of the low temperature configurations shows that at low densities particles preferentially self-assemble into closed rings, strongly suppressing the chain ends concentration.

摘要

我们报告了在偶极力硬球流体中粒子态密度的精确计算。通过实施高效和定制的蒙特卡罗算法,我们能够在平衡状态下探索预测在链端稀气和链结高密度液体之间会发生相分离的低温区域。我们的数据清楚地表明,态密度始终保持单峰,明确排除了在所研究的温度和密度区域中出现临界现象的可能性。低温构型的分析表明,在低密度下,粒子优先自组装成封闭环,强烈抑制链端浓度。

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