2019-01-012024-05-17https://scholars.lib.ntu.edu.tw/handle/123456789/672626摘要：本子計畫將以原子尺度出發的計算方法建立子計畫一(綠色可分解自癒合水膠之合成與性質分析)開發之自癒合水膠的原子尺度模型，進行分子結構與力學性質分析，並探討此智能水膠的自癒合機制以及氧氣與藥物在此水膠中之擴散特性，並進一步發展多尺度計算方法，計算智能水膠在介觀尺度下的物理特性。<br> Abstract: In this project, we will use full atomistic simulations and multi scale modeling to investigate the molecular mechanisms of a green biodegradable self-healing hydrogel. We will construct the full atomistic models of the biodegradable self-healing hydrogel polymer chains and investigate the self-healing mechanism. This project will also study the diffusion properties of oxygen and drugs in the self-healing hydrogel.計算力學智能水膠分子動力模擬computational mechanicshydrogelmolecular dynamics