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Field theoretic approach for block polymer melts: SCFT and FTS
The Journal of Chemical Physics ( IF 4.4 ) Pub Date : 2020-03-16 , DOI: 10.1063/1.5145098
M. W. Matsen 1
Affiliation  

This perspective addresses the development of polymer field theory for predicting the equilibrium phase behavior of block polymer melts. The approach is tailored to the high-molecular-weight limit, where universality reduces all systems to the standard Gaussian chain model, an incompressible melt of elastic threads interacting by contact forces. Using mathematical identities, this particle-based version of the model is converted to an equivalent field-based version that depends on fields rather than particle coordinates. The statistical mechanics of the field-based model is typically solved using the saddle-point approximation of self-consistent field theory (SCFT), which equates to mean field theory, but it can also be evaluated using field theoretic simulations (FTS). While SCFT has matured into one of the most successful theories in soft condensed matter, FTS are still in its infancy. The two main obstacles of FTS are the high computational cost and the occurrence of an ultraviolet divergence, but fortunately there has been recent groundbreaking progress on both fronts. As such, FTS are now well poised to become the method of choice for predicting fluctuation corrections to mean field theory.

中文翻译:

嵌段聚合物熔体的现场理论方法:SCFT和FTS

该观点提出了用于预测嵌段聚合物熔体的平衡相行为的聚合物场理论的发展。该方法是针对高分子量极限量身定制的,在该极限下,通用性将所有系统简化为标准的高斯链模型,该模型是接触力相互作用的不可压缩的弹性线熔体。使用数学身份,该基于粒子的模型版本将转换为等效的基于场的版本,该版本取决于字段而不是粒子坐标。基于场的模型的统计机制通常使用自洽场理论(SCFT)的鞍点逼近来解决,这相当于平均场理论,但也可以使用场理论仿真(FTS)对其进行评估。尽管SCFT已发展成为软凝聚物最成功的理论之一,但FTS仍处于起步阶段。FTS的两个主要障碍是计算成本高和紫外线发散的发生,但幸运的是,最近在这两个方面都取得了突破性的进展。因此,FTS现在准备成为预测均场理论波动校正的首选方法。
更新日期:2020-03-21
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