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首页> 外文期刊>The Journal of Chemical Physics >Field theoretic approach for block polymer melts: SCFT and FTS
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Field theoretic approach for block polymer melts: SCFT and FTS

机译:砌块聚合物熔体的现场理论方法:SCFT和FTS

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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. Published under license by AIP Publishing.
机译:该透视解决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。该方法量身定制到高分子量值限制,其中普遍性将所有系统减少到标准高斯链型模型,这是通过接触力相互作用的弹性螺纹的不可压缩熔体。使用数学标识,该模型的基于粒子的版本被转换为基于现场的版本,其取决于字段而不是粒子坐标。基于场模型的统计力学通常使用自我一致的场理论(SCFT)的鞍点近似来解决,其等同于平均场理论,但也可以使用现场理论模拟(FTS)进行评估。虽然SCFT已经成熟成为软浓缩物质中最成功的理论之一,FTS仍处于初期阶段。 FTS的两个主要障碍是高计算成本和紫外线发散的发生,但幸运的是,近期在两端都有突破性的进展。因此,FTS现在很好地成为预测平均场理论的选择性的选择方法。通过AIP发布在许可证下发布。

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