关键词: Composite materials Epoxy resin Molecular dynamics Thermal properties

来  源:   DOI:10.1007/s00894-024-06054-4

Abstract:
BACKGROUND: Traditional conductive adhesives based on epoxy resin system often encounter problems such as high brittleness and low heat resistance. Therefore, it is particularly important to improve the thermal and mechanical properties of the conductive adhesive. In this study, the effects of SWCNT-Ag and SWCNT fillers on the thermal properties of DGEBA/DETA/Ag conductive adhesive system were studied by using molecular dynamics to construct different cross-linking models. The final results show that the addition of SWCNT and SWCNT-Ag can significantly improve the thermal properties of the conductive adhesive. However, the nanosilver particles on the surface of SWCNT-Ag act as a bridge for the connection between SWCNT and Ag in the conductive adhesive. Therefore, SWCNT-Ag has a more positive impact on the thermal properties of DGEBA/DETA/Ag conductive adhesive system.
METHODS: In this paper, the influence of SWCNT-Ag on the thermal properties of traditional DGEBA/DETA/Ag conductive adhesive system was studied by using Materials Studio software. The volume shrinkage, glass transition temperature, thermal expansion coefficient, and thermal conductivity of the material were calculated based on COMPASS force field. The thermal conductivity is calculated by using reverse non-equilibrium molecular dynamics method. Finally, it is found that SWCNT-Ag has a positive effect on the thermal properties of the conductive adhesive system by comparing several groups of calculation data.
摘要:
背景:基于环氧树脂体系的传统导电粘合剂经常遇到诸如高脆性和低耐热性的问题。因此,提高导电胶的热性能和机械性能尤为重要。在这项研究中,通过分子动力学构建不同的交联模型,研究了SWCNT-Ag和SWCNT填料对DGEBA/DETA/Ag导电胶体系热性能的影响。最终结果表明,SWCNT和SWCNT-Ag的添加可以显着改善导电粘合剂的热性能。然而,SWCNT-Ag表面上的纳米银颗粒充当导电粘合剂中SWCNT和Ag之间连接的桥梁。因此,SWCNT-Ag对DGEBA/DETA/Ag导电胶体系的热性能有更积极的影响。
方法:在本文中,利用MaterialsStudio软件研究了SWCNT-Ag对传统DGEBA/DETA/Ag导电胶体系热性能的影响。体积收缩,玻璃化转变温度,热膨胀系数,基于COMPASS力场计算了材料的热导率。导热系数采用反向非平衡分子动力学方法计算。最后,通过比较几组计算数据,发现SWCNT-Ag对导电胶体系的热性能有积极影响。
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