发展能够描述介电非均匀性体系的粒子-场分子动力学模拟方法，建立盐和离子液体掺杂嵌段共聚物的粗粒化模型，同时借助高性能GPU并行运算提高计算效率，研究静电相互作用下嵌段共聚物体系的相行为。探索聚合物链长、分子量多分散性、分子链拓扑结构、离子结合或吸附强度、离子的熵效应、电荷的内聚作用以及介电的非均匀性等因素对带电嵌段共聚物的链构象转变和相结构形成及演化的影响规律和作用机理；揭示基于嵌段共聚物的固体电解质微观结构的设计原则与调控机制；为新型固体聚合物电解质材料的开发和设计提供理论支持。

In this proposal, we will develop a particle-field molecular dynamics simulation method, build coarse-grained models of salt-doped and ionic liquid-doped block copolymers, and promote the computation efficiency by employing high-performance parallel computation of multi-GPUs, to study the phase behaviors of block copolymers with dielectric inhomogeneity. We will focus on the influence of the chain length of polymer, chain length polydispersity, the topological structure of polymers, ion binding or adsorption strength, ion entropy effect, charge cohesion effect, and dielectric inhomogeneity on the chain conformation and phase morphology of block copolymers. We will reveal the design rules and controlling mechanisms of microscopic structures of solid polymeric electrolyte made from block copolymers, aiming at providing theoretical support for the design and development of novel solid polymeric electrolyte materials.