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不同缺陷类型双层石墨烯旋转摩擦特性

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采用分子动力学模拟方法,构建双层石墨烯旋转摩擦的原子模型,研究缺陷类型、浓度、尺寸效应、石墨烯堆叠方式等因素对其层间旋转摩擦特性的影响,并探讨应变工程的减摩效应.实验结果表明,缺陷类型和堆叠方式对石墨烯旋转摩擦特性的影响较为显著,缺陷类型的影响程度最高.当对底层石墨烯引入拉伸应变后,其旋转摩擦阻力发生衰减,且单空位缺陷与无缺陷模型的力矩递减趋势最为相似.对比研究底层石墨烯的压缩应变,发现其在一定范围内使得层间摩擦增大.本研究有助于缺陷石墨烯层间旋转摩擦特性理论的进一步完善.
Study on the rotational friction characteristics of bilayer graphene with different defect types
With molecular dynamic simulation,an atomic model is constructed to study the effects of defect type,concentration,size effect,and graphene stacking method on its interlayer rotational friction characteristics.The friction reduction effect of strain engineering was also explored.The results show that defect type and stacking method have a more significant influence on rotational friction char-acteristics,with defect type having the highest degree of influence.Introducing tensile strain to the underlying graphene causes its rotational frictional resistance to decay,with the decreasing moment trend being most similar for the single vacancy defect and defect-free model.The compressive strain of the underlying graphene was also studied.It is found that it increases interlayer friction within a certain range.This study further improves the theory of interlayer rotational friction properties of defective gra-phene.

defective graphenerotational frictionstretch strainmolecular dynamicsorthogonal experimental design

李明林、王攀、洪若瑜

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福州大学先进制造学院,福建 泉州 362200

福州大学机械工程及自动化学院,福建 福州 350108

福州大学化工学院,福建 福州 350108

缺陷石墨烯 旋转摩擦 拉伸应变 分子动力学 正交试验设计

国家自然科学基金国家自然科学基金

5227509522278080

2024

福州大学学报(自然科学版)
福州大学

福州大学学报(自然科学版)

CSTPCD北大核心
影响因子:0.35
ISSN:1000-2243
年,卷(期):2024.52(3)
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