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贝塞晶格上半柔性自回避链的巨正则解。

Grand-canonical solution of semiflexible self-avoiding trails on the Bethe lattice.

作者信息

Dantas W G, Oliveira Tiago J, Stilck Jürgen F, Prellberg Thomas

机构信息

Departamento de Ciências Exatas, Universidade Federal Fluminense, Volta Redonda, RJ 27255-125, Brazil.

Departamento de Física, Universidade Federal de Viçosa, 36570-900, Viçosa, MG, Brazil.

出版信息

Phys Rev E. 2017 Feb;95(2-1):022132. doi: 10.1103/PhysRevE.95.022132. Epub 2017 Feb 24.

Abstract

We consider a model of semiflexible interacting self-avoiding trails (sISATs) on a lattice, where the walks are constrained to visit each lattice edge at most once. Such models have been studied as an alternative to the self-attracting self-avoiding walks (SASAWs) to investigate the collapse transition of polymers, with the attractive interactions being on site as opposed to nearest-neighbor interactions in SASAWs. The grand-canonical version of the sISAT model is solved on a four-coordinated Bethe lattice, and four phases appear: non-polymerized (NP), regular polymerized (P), dense polymerized (DP), and anisotropic nematic (AN), the last one present in the phase diagram only for sufficiently stiff chains. The last two phases are dense, in the sense that all lattice sites are visited once in the AN phase and twice in the DP phase. In general, critical NP-P and DP-P transition surfaces meet with a NP-DP coexistence surface at a line of bicritical points. The region in which the AN phase is stable is limited by a discontinuous critical transition to the P phase, and we study this somewhat unusual transition in some detail. In the limit of rods, where the chains are totally rigid, the P phase is absent and the three coexistence lines (NP-AN, AN-DP, and NP-DP) meet at a triple point, which is the endpoint of the bicritical line.

摘要

我们考虑一种在晶格上的半柔性相互作用自回避轨迹(sISATs)模型,其中的行走被限制为最多只能经过每条晶格边一次。此类模型已被作为自吸引自回避行走(SASAWs)的替代模型进行研究,以探究聚合物的塌缩转变,其吸引相互作用是在位点上,这与SASAWs中的最近邻相互作用不同。sISAT模型的巨正则版本在一个四配位的贝塞晶格上得到求解,出现了四个相:非聚合相(NP)、规则聚合相(P)、致密聚合相(DP)和各向异性向列相(AN),最后一个相仅在相图中对于足够刚性的链才会出现。最后两个相是致密的,从某种意义上说,在AN相中所有晶格位点都被访问一次,在DP相中被访问两次。一般来说,临界NP - P和DP - P转变面在一条双临界点线上与NP - DP共存面相交。AN相稳定的区域由到P相的不连续临界转变所限制,我们对这个有些不寻常的转变进行了较为详细的研究。在棒状极限情况下,即链完全刚性时,P相不存在,三条共存线(NP - AN、AN - DP和NP - DP)在一个三相点相交,该三相点是双临界线的端点。

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