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Tuning thermal transport in highly cross-linked polymers by bond-induced void engineering
Physical Review Materials ( IF 3.4 ) Pub Date : 2021-02-22 , DOI: 10.1103/physrevmaterials.5.025602 Debashish Mukherji , Manjesh Kumar Singh
Physical Review Materials ( IF 3.4 ) Pub Date : 2021-02-22 , DOI: 10.1103/physrevmaterials.5.025602 Debashish Mukherji , Manjesh Kumar Singh
Tuning the heat flow is fundamentally important for the design of advanced functional materials. Here polymers are of particular importance because they provide different pathways for the energy transfer. More specifically, the heat flow between the two covalently bonded monomers is over 100 times faster than between the two nonbonded monomers interacting via the van der Waals (vdW) forces. Therefore, the delicate balance between these two contributions often provides a guiding tool for the tunability in thermal transport coefficient of the polymeric materials. Traditionally most studies have investigated in the linear polymeric materials, the recent interests have also been directed towards the highly cross-linked polymers (HCP). In this work, using the generic molecular dynamics simulations, we investigate the factors effecting of HCP. We emphasize the importance of the cross-linking bond types and their influence on the network microstructure, with a goal of providing a guiding principle for the tunability in . While these simulation results are discussed in the context of the available experimental data, we also make predictions.
中文翻译:
通过键诱导的空隙工程调节高交联聚合物中的热传递
调节热流对于高级功能材料的设计至关重要。在这里,聚合物特别重要,因为它们为能量转移提供了不同的途径。更具体地说,两种共价键合的单体之间的热流比通过范德华力(vdW)相互作用的两种非键合单体之间的热流快100倍以上。因此,这两种贡献之间的微妙平衡通常为热传递系数的可调性提供了指导工具。高分子材料。传统上,大多数研究都对在线性聚合物材料中,近来的兴趣也针对高度交联的聚合物(HCP)。在这项工作中,使用通用的分子动力学模拟,我们研究了影响因素HCP。我们强调交联键类型的重要性及其对网络微结构的影响,目的是为可调谐性提供指导原则。。虽然在可用的实验数据的背景下讨论了这些模拟结果,但我们也做出了预测。
更新日期:2021-02-22
中文翻译:
通过键诱导的空隙工程调节高交联聚合物中的热传递
调节热流对于高级功能材料的设计至关重要。在这里,聚合物特别重要,因为它们为能量转移提供了不同的途径。更具体地说,两种共价键合的单体之间的热流比通过范德华力(vdW)相互作用的两种非键合单体之间的热流快100倍以上。因此,这两种贡献之间的微妙平衡通常为热传递系数的可调性提供了指导工具。高分子材料。传统上,大多数研究都对在线性聚合物材料中,近来的兴趣也针对高度交联的聚合物(HCP)。在这项工作中,使用通用的分子动力学模拟,我们研究了影响因素HCP。我们强调交联键类型的重要性及其对网络微结构的影响,目的是为可调谐性提供指导原则。。虽然在可用的实验数据的背景下讨论了这些模拟结果,但我们也做出了预测。