使用结晶动力学建模热塑性球状石生长的算法
Jamal F Husseini1, Evan J Pineda2, Scott E Stapleton1
1Department of Mechanical Engineering, University of Massachusetts Lowell, Lowell, MA 01854, USA.
Materials (Basel, Switzerland)
|July 27, 2024
概括
本研究介绍了一种使用动力学来预测局部晶体分布的聚合物结晶模型. 该模型准确模拟球状岩石的形成,并与实验数据进行验证,有助于制造业的微观结构预测.
科学领域:
- 聚合物科学 聚合物科学
- 材料科学 材料科学 材料科学
- 计算建模 计算建模
背景情况:
- 了解聚合物结晶对于材料性能至关重要.
- 球状石的形态显著影响了聚合物的性能.
- 预测模型是优化聚合物加工所需的.
研究的目的:
- 开发基于结晶运动的球状石生长模型.
- 为了确定聚合物内的局部晶体分布.
- 预测各种制造方法的半晶微结构.
主要方法:
- 利用结晶动力学来模拟核和生长.
- 使用优化算法来确定局部晶度.
- 将域区分开为voxels,用于详细的模拟.
- 根据差异扫描热度计和显微镜数据验证了模型.
主要成果:
- 该模型成功模拟了同质和异质核和球状石的生长.
- 根据体积和距离核的距离来确定局部晶度.
- 模型预测显示与聚乙烯的实验数据有很好的一致性.
- 分析了冷却速度对晶体分布的影响.
结论:
- 开发的模型准确地预测了聚合物晶体分布.
- 该工具有助于理解和控制半晶微结构.
- 该模型可以集成到多尺度热力学分析中,以改进材料设计.
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