对聚合物复合材料和纳米复合材料的计算建模的审查
1Department of Mechanical Engineering, Clemson University, Clemson, SC 29634, USA.
Polymers
|February 27, 2026
概括
本综述调查了用于预测聚合物复合材料和纳米复合材料机械行为的计算方法. 它强调了多尺度建模策略,将纳米物理与宏观性能联系起来,用于先进的材料设计.
科学领域:
- 材料科学与工程 材料科学与工程
- 计算力学 计算力学 计算力学
- 聚合物科学 聚合物科学
背景情况:
- 聚合物复合材料和纳米复合材料由于其可调节性质,在众多行业中至关重要.
- 由于多尺度合和时间/温度依赖性,设计这些材料是复杂的.
- 预测机械行为需要在各种长度尺度上使用先进的计算方法.
研究的目的:
- 为聚合物复合材料和纳米复合材料提供计算方法的全面审查.
- 突出不同建模工具的功能和互补作用.
- 建立纳米尺度现象和宏观机械反应之间的联系.
主要方法:
- 在构成,微,中和宏观尺度上对计算建模方法的调查.
- 对聚合物纳米复合材料的原子和粗粒度分子动力学的检查.
- 讨论跨规模的关系和多规模的桥梁战略.
主要成果:
- 对每个尺度的建模目标,能力和应用程序的详细概述.
- 强调用于界面物理和纳米尺度机制的原子模拟.
- 解释粗粒度方法如何扩大规模可访问性,并与原子模型集成.
结论:
- 多尺度计算框架对于预测聚合物复合材料和纳米复合材料的机械行为至关重要.
- 整合不同的建模尺度使得从纳米物理到宏观性质的预测链接成为可能.
- 本综述是为选择和应用合理材料设计的适当计算工具提供指南.
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