Plastic Deformation Mechanisms of Semicrystalline and Amorphous Polymers
Plastic Deformation Mechanisms of Semicrystalline and Amorphous Polymers
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DOI：
10.1021/mz500754b
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发表时间：
2015-02-01
影响因子：
7.015
通讯作者：
Barrat, Jean-Louis
中科院分区：
文献类型：
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作者：
Jabbari-Farouji, Sara;Rottler, Joerg;Barrat, Jean-Louis
我们使用大规模的分子动力学模拟研究随机成核微晶的半结晶聚合物的塑性变形。的应变软化制度是占主导地位的变形的微晶通过重定向的链折叠lamicide向拉伸轴，最大的结晶域的碎片，和结晶度的部分损失。的应变硬化制度符合作为应变诱导链对齐的结果链和再结晶的展开。这些观察到的变形机制与实验结果是一致的。我们比较了在玻璃化转变温度以上和以下的温度下，半结晶聚合物与它们的无定形对应物的拉伸行为。
We use large-scale molecular dynamics simulations to investigate plastic deformation of semicrystalline polymers with randomly nucleated crystallites. The strain-softening regime is dominated by deformation of crystallites via reorientation of chain-folded lamellae toward the tensile axis, fragmentation of largest crystalline domains, and a partial loss of crystallinity. The strain-hardening regime coincides with unfolding of chains and recrystallization as a result of strain-induced chain alignment. These observed deformation mechanisms are consistent with experimental findings. We compare the tensile behavior of semicrystalline polymers with their amorphous counterparts at temperatures above and below the glass transition temperature.