Dynamics and Viscoelasticity of Semi-Flexible and Liquid-Crystalline Polymers

9973976莫尔斯这是一个新的赠款，将支持理论研究的分子动力学和流变性质的解决方案和熔体的半柔性聚合物，在各向同性和液晶相。 目前对聚合物动力学的理论理解在很大程度上是基于一些经典模型，这些模型假设聚合物作为完全柔性的线圈或刚性杆。 然而，存在一大类半柔性聚合物，其刚性介于这两个极端之间，其动力学行为尚未得到很好的理解。 特别是，这项工作具有潜在的应用到各种生物聚合物，提高我们的理解的生物聚合物的结构和弹性对生物功能的影响。 这项研究的目的是提供一个统一的理解的蠕虫状链的解决方案的动力学行为在广泛的物理参数，这应该作为一个理论基础，为未来的实验分析。 蠕虫状链的稀溶液的理论研究和布朗模拟将研究线性粘弹性剪切模量和其他动态响应函数对频率和链长的依赖性。 大规模的朗之万动力学模拟将被用来量化蠕虫状链的非稀溶液中链间相互作用和纠缠的影响，并确定各种参数制度和相应的理论approaches.This的限制是一个新的授权，将支持在各向同性和液晶相的半柔性聚合物的动力学和粘弹性的理论建模。 目前对聚合物动力学的理论理解在很大程度上是基于一些经典模型，这些模型假设聚合物作为完全柔性的线圈或刚性杆。 然而，存在一大类半柔性聚合物，其刚性介于这两个极端之间，其动力学行为尚未得到很好的理解。 特别是，这项工作具有潜在的应用到各种生物聚合物，提高我们的理解的生物聚合物的结构和弹性对生物功能的影响。 这项研究的目的是提供一个统一的理解的蠕虫状链的解决方案的动力学行为在广泛的物理参数，这应该作为一个理论基础，为未来的实验分析。

9973976MorseThis is a new grant that will support theoretical studies of the molecular kinetics and rheological properties of solutions and melts of semiflexible polymers, in both isotropic and liquid-crystalline phases. Current theoretical understanding of polymer dynamics is based to a large extent upon a few classic models that assume the polymers act either as completely flexible coils or as rigid rods. A large class of semiflexible polymers exists, however, with a degree of rigidity intermediate between these two extremes, and whose dynamical behavior is not well understood. In particular, this work has potential application to a variety of biopolymers, improving our understanding of the effects of the biopolymer structure and elasticity on biological function. This proposed research is intended to provide a unified understanding of the dynamical behavior of solutions of worm-like chains over a wide range of physical parameters, which should serve as a theoretical basis for the analysis of future experiments. Theoretical studies and Brownian simulations of dilute solutions of worm-like chains will examine the dependence of the linear viscoelastic shear modulus and other dynamic response functions upon frequency and chain length. Large-scale Langevin dynamics simulations will be used to quantify the effects of interchain interactions and entanglement in non-dilute solutions of worm-like chains, and to identify the limits of various parameter regimes and corresponding theoretical approaches.This is a new grant that will support theoretical modeling of the dynamics and viscoelastic properties of semiflexible polymers in both isotropic and liquid-crystal phases. Current theoretical understanding of polymer dynamics is based to a large extent upon a few classic models that assume the polymers act either as completely flexible coils or as rigid rods. A large class of semiflexible polymers exists, however, with a degree of rigidity intermediate between these two extremes, and whose dynamical behavior is not well understood. In particular, this work has potential application to a variety of biopolymers, improving our understanding of the effects of the biopolymer structure and elasticity on biological function. This proposed research is intended to provide a unified understanding of the dynamical behavior of solutions of worm-like chains over a wide range of physical parameters, which should serve as a theoretical basis for the analysis of future experiments.