塑料2024,Vol.53Issue(6) :168-172,177.

碳纤维/二硫化钼改性PTFE的分子动力学模拟

Molecular Dynamics Simulation of CF/MoS2 Modified PTFE

张晓亮 葛正浩 王超宝 高创 赵彦辉 杨昊
塑料2024,Vol.53Issue(6) :168-172,177.

碳纤维/二硫化钼改性PTFE的分子动力学模拟

Molecular Dynamics Simulation of CF/MoS2 Modified PTFE

张晓亮 1葛正浩 1王超宝 1高创 1赵彦辉 1杨昊1
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作者信息

  • 1. 陕西科技大学,机电工程学院,陕西,西安 710021
  • 折叠

摘要

采用分子动力学模拟法研究了碳纤维(CF)和二硫化钼(MoS2)对聚四氟乙烯(PTFE)力学性能和摩擦学性能的影响规律.建立了PTFE、CF/PTFE、MoS2/PTFE、CF/MoS2/PTFE 4个无定型模型,建立了复合材料与铁的摩擦副模型,并进行限制性剪切计算模拟摩擦运动,分别计算其力学性能、摩擦性能.结果表明,当碳纤维和二硫化钼的填充量分别为5%和3%时,PTFE复合材料的力学性能与摩擦性能均提升,弹性模量提高了460%,泊松比降低了18%,复合材料的摩擦因数下降了53%.此外,通过提取摩擦界面温度、沿厚度方向原子相对浓度、Fe-F原子径向分布函数等数据,从原子层面分析了碳纤维、二硫化钼对聚四氟乙烯材料性能的影响机制,为复合材料开发提供了技术指导.

Abstract

The effects of Carbon Fiber(CF)and Molybdenum Disulfide(MoS2)on the mechanical and tribological properties of Polytetrafluoroethylene(PTFE)were studied by molecular dynamics simulation.Firstly,four amorphous models of PTFE,CF/PTFE,MoS2/PTFE and CF/MoS2/PTFE were established,and the friction pair model of composite material and iron was established.The restrictive shear calculation was carried out to simulate the friction motion and calculate the mechanical properties and tribological properties respectively.The results showed that when the filling amount of CF and MoS2 was 5%and 3%respectively,the mechanical properties and tribological properties of PTFE composite was improved,the Young's modulus was increased by 460%,the Poisson's ratio was decreased by 18%,and the friction coefficient of the composite was decreased by 53%.In addition,the influence mechanism of CF and MoS2 on the properties of PTFE materials was revealed from the atomic scale by extracting the data of friction interface temperature,relative concentration of atoms along the thickness direction and radial distribution function of Fe-F atoms.The results of the study provided technical guidance for the development of composite materials.

关键词

聚四氟乙烯/碳纤维/二硫化钼/复合材料/分子动力学

Key words

PTFE/carbon fiber/MoS2/composite materials/molecular dynamics

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出版年

2024
塑料
北京市塑料研究所

塑料

CSTPCDCSCD北大核心
影响因子:1.163
ISSN:1001-9456
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