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1. 北京航空航天大学软物质物理及应用研究中心,北京,100191
2. 北京航空航天大学物理科学与核能工程学院,北京,100191
纸质出版日期:2016-8-1,
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满兴坤, 张洁. 高分子复数朗之万理论[J]. 高分子学报, 2016,(8):1042-1047.
Xing-kun Man, Jie Zhang. Complex Langevin Theory of Polymers[J]. Acta Polymerica Sinica, 2016,(8):1042-1047.
满兴坤, 张洁. 高分子复数朗之万理论[J]. 高分子学报, 2016,(8):1042-1047. DOI: 10.11777/j.issn1000-3304.2016.16095.
Xing-kun Man, Jie Zhang. Complex Langevin Theory of Polymers[J]. Acta Polymerica Sinica, 2016,(8):1042-1047. DOI: 10.11777/j.issn1000-3304.2016.16095.
高分子复数朗之万理论是一种超越平均场近似的理论模拟方法.给定所关心体系的配分函数后,则可以通过该方法在无任何近似的情况下得到所关心物理量的系综平均值,进而可以考虑各种涨落和关联效应.由于高分子场论中一般都是复数哈密顿量,因此与之对应的玻尔兹曼概率密度是振荡、非正定的.以该玻尔兹曼概率密度为接收概率的实数空间模拟采样的效率会变的特别低.复数朗之万理论把实数物理变量扩展到复空间,同时假设在复空间存在一个正定的概率密度.因此,在整个复空间进行采样可以有效地解决这一问题.本文简要地介绍了高分子复数朗之万理论的背景,以及实行该模拟的数值方法.此外还简要地介绍了高分子复数朗之万理论在对多价盐离子溶液研究的应用.超越平均场的复数朗之万理论在生物体系研究中也有很大的作用,比如对DNA凝聚、病毒内部电荷反转等等现象的理解.
Complex Langevin (CL) theory of polymer is beyond mean-field simulation
which enables to obtain ensemble averages of physical quantities of polymer systems including fluctuation and correlation effects.As the Hamiltonian of polymer field theory is usually complex
the corresponding Boltzmann factor is non-positive defined.Therefore
instead of the regularly important sampling method
like Monte Carlo
we use the complex Langevin equation to make sampling in the whole complex plane
where a positively defined Boltzmann factor is assumed to be existed.It is shown in this review that complex Langevin simulation is much more efficient than regular sampling methods for studying of polymer systems.Such a method beyond mean-field simulation is very important to study dilute polymer solution
polyelectrolytes systems
in particular
to predict new phases of block copolymer systems
of which mean-field simulations
like self-consistent field theory (SCFT)
have been demonstrated to be not enough in studying these problems.In this review
we give a brief introduction of the complex Langevin simulations.We focus on its theoretical background and the numerical way of how to conduct CL simulations.We show two examples to indicate the advantages of the method beyond mean-field simulation
where fluctuation and correlation effects have been clearly obtained by the CL simulations but missing in SCFT calculations.Complex Langevin simulation has advantages not only in polymer systems but also in ionic systems especially for multi-valence ionic systems.Moreover
developing a method beyond mean-field simulation is also important for biological systems
like understanding the DNA condensation phenomena
the charge inversion inside the virus
and so on.
高分子场论复数朗之万超越平均场
Polymer field theoryComplex Langevin simulationBeyond mean-field simulation
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