郭蕾, 丁诗林, 袁帅, 勾小凤, 王路伽, 周利军. 六方氮化硼/环氧树脂复合材料热力学性能的分子动力学模拟[J]. 高电压技术, 2022, 48(4): 1471-1479. DOI: 10.13336/j.1003-6520.hve.20201456
引用本文: 郭蕾, 丁诗林, 袁帅, 勾小凤, 王路伽, 周利军. 六方氮化硼/环氧树脂复合材料热力学性能的分子动力学模拟[J]. 高电压技术, 2022, 48(4): 1471-1479. DOI: 10.13336/j.1003-6520.hve.20201456
GUO Lei, DING Shilin, YUAN Shuai, GOU Xiaofeng, WANG Lujia, ZHOU Lijun. Molecular Dynamics Simulation of Thermo-mechanical Properties of Hexagonal Boron Nitride/Epoxy Resin Composites[J]. High Voltage Engineering, 2022, 48(4): 1471-1479. DOI: 10.13336/j.1003-6520.hve.20201456
Citation: GUO Lei, DING Shilin, YUAN Shuai, GOU Xiaofeng, WANG Lujia, ZHOU Lijun. Molecular Dynamics Simulation of Thermo-mechanical Properties of Hexagonal Boron Nitride/Epoxy Resin Composites[J]. High Voltage Engineering, 2022, 48(4): 1471-1479. DOI: 10.13336/j.1003-6520.hve.20201456

六方氮化硼/环氧树脂复合材料热力学性能的分子动力学模拟

Molecular Dynamics Simulation of Thermo-mechanical Properties of Hexagonal Boron Nitride/Epoxy Resin Composites

  • 摘要: 为了从微观角度分析六方氮化硼(h-BN)掺杂对环氧树脂(epoxy,EP)热力学性能的影响,以双酚A二缩水甘油醚和4, 4'—二氨基二苯砜分别作为环氧树脂基体和固化剂,采用分子动力学的方法,研究分析h-BN改性环氧树脂材料在250~450 K温度范围内改性前后的热力学性能及微观结构参数变化。研究发现,在环氧树脂中加入h-BN可以提高环氧树脂材料的热导率、玻璃化转变温度、杨氏模量和剪切模量,减小热膨胀系数,达到改善环氧树脂导热性能、热学性能以及力学性能的目的。温度升高会提高环氧树脂及h-BN/EP复合材料的热导率,但升温对纯环氧树脂的热导率影响更大。同时,温度升高使环氧树脂和h-BN/EP复合材料的力学性能变差,但在干式车载牵引变压器的温升范围内h-BN/EP复合材料力学性能始终优于纯环氧树脂。在微观结构参数上,加入h-BN以后环氧树脂的均方位移明显更低,且随着温度升高h-BN/EP模型相比于EP模型的自由体积分布更不容易变得分散,表明h-BN的加入会阻碍环氧树脂分子链的运动。

     

    Abstract: In order to analyze the influence of boron nitride (h-BN) doping on the thermo-mechanical properties of epoxy resin (EP) from the microscopic point of view, diglycidyl ether of bisphenol A (DGEBA) and 4, 4'—diaminodiphenyl sulfone (4, 4'—DDS) were used as epoxy matrix and curing agent, respectively. The changes of thermo-mechanical properties and microstructure parameters of h-BN modified epoxy resin before and after modification were studied and analyzed in the temperature range of 250~450 K by a molecular dynamics method. It is found that the addition of h-BN to epoxy resin can improve the thermal conductivity, glass transition temperature, Young's modulus and shear modulus of epoxy resin material, reduce the thermal expansion coefficient, and achieve the purpose of improving the thermal conductivity, thermal properties and mechanical properties of epoxy resin. The thermal conductivity of epoxy resin and h-BN/EP composites will be improved by increasing temperature, but the thermal conductivity of pure epoxy resin will be more significantly affected by rising temperature. At the same time, the mechanical properties of epoxy resin and h-BN/EP composites are worse due to temperature rise, but the mechanical properties of h-BN/EP composites are always better than those of pure epoxy resin within the temperature rise range of dry on-board traction transformer. In terms of microstructure parameters, the MSD of the epoxy resin is significantly lower after the addition of h-BN, and the free volume distribution of the h-BN/EP model is less likely to disperse with the increase of temperature than that of the EP model, indicating that the addition of h-BN will hinder the movement of the molecular chain of the epoxy resin.

     

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