Macromolecules·· 4 小时前AI 评分31
半结晶聚乙烯纳米压痕中的层级耦合机制：多尺度模拟研究
Hierarchical Coupling Mechanisms of Semicrystalline Polyethylene under Nanoindentation: A Multiscale Simulation Study
AI 导读
采用全原子、联合原子与粗粒化模型对半结晶聚乙烯纳米压痕过程进行跨尺度关联分析，揭示从链内构象到链段组织再到相结构的层级耦合机制。链内键长与键角主要承担可恢复弹性变形，二面角则发生不可逆构象转变；卸载后链间非键势能下降超过链内二面角势能上升，使体系弛豫至总势能更低的致密亚稳态。
图表、补充材料与最终表述以原文为准。阅读原文
来源：Macromolecules · doi.org
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