CAJ | 학술논문

本文采用介观尺度上的耗散粒子动力学与基于ABEEM可极化力场的全原子分子动力学相结合的方式，从理论上探究了嵌段共聚物结构、对称性、分子组成及温度等对嵌段共聚物最终自组装结构形态的影响。模拟结果表明，这些因素均会对嵌段共聚物在选择性溶剂中的最终自组装结构产生一定影响。这一理论研究为实现可控操纵自组装结构，提供了有意义的参考。
본문채용개관척도상적모산입자동역학여기우ABEEM가겁화력장적전원자분자동역학상결합적방식，종이론상탐구료감단공취물결구、대칭성、분자조성급온도등대감단공취물최종자조장결구형태적영향。모의결과표명，저사인소균회대감단공취물재선택성용제중적최종자조장결구산생일정영향。저일이론연구위실현가공조종자조장결구，제공료유의의적삼고。
Mesoscopic dissipative particle dynamics ( DPD ) simulations and all-atom molecular dynamics simulations were combined to investigate the influence of the architecture, symmetry, molecular composition of block copolymers and temperature on final assembled structures of block copolymers. From the simulation results, these factors have an influence on the final assembled structures. This theoretical investigation pro-vides a reference for experiments and practice to manipulate self-assembled structures.