目的 建立碳纳米管束（CNTB）理论模型,研究单束内碳纳米管排布层数和直径对CNTB以及CNTB/聚合物基复合材料刚度性能的影响。方法 将CNTB聚集形式看作六边形紧密排布成束,再将CNTB随机分布于基体材料中,其方向和长度按照一定概率密度函数分布。从细观力学的角度出发,基于自洽模型、Halpin-Tsai模型以及分层模拟法,提出CNTB和CNTB/聚合物基复合材料的弹性模量计算公式。结果 本文建立的CNTB理论模型与验证算例对比数据相近。在单束CNTB中,当单壁碳纳米管由无聚集增加到聚集2层时,单束CNTB内碳纳米管的体积分数下降了约24%,当聚集层数大于2后,体积分数变化逐渐趋于平缓。当单壁碳纳米管直径d=5.5 nm时,单束CNTB内碳纳米管的体积分数比d=0.5 nm时下降约74%,后变化曲线逐渐趋于平缓。单束CNTB内碳纳米管的体积分数下降直接导致单束CNTB及CNTB复合材料力学性能下降。结论 通过具体的数值算例研究了单束内碳纳米管排布层数和直径对CNTB以及CNTB/聚合物基复合材料刚度性能的影响,应尽量避免碳纳米管在基体内聚集。针对CNTB复合材料长度和方向随机分布的特征,通过刚度矩阵得到该复合材料任意方向的刚度性能。
Abstract
The work aims to develop a theoretical model for the carbon nanotube bundle (CNTB) to investigate the influence of the number of layers and the diameters of SWCNTs on the stiffness of both CNTBs and CNTB/polymer composites. The aggregation form of SWCNTs was regarded as a hexagonal pattern in a single CNTB. And then CNTBs were randomly dispersed in a matrix with their orientations and lengths conforming to a specific probability density function. Based on the self-consistence model and the Halpin-Tsai model approach, the calculation formulas for the elastic moduli of CNTBs and CNTB/polymer composites were derived. The computational results in this paper were close to the verification case. When the number of layers m increased from 1 to 2, the volume fraction decreased by approximately 24%, after which the change curve gradually flattened. When the diameter of SWCNTs d=5.5 nm, the volume fraction of declined by about 74% compared with that with d=0.5 nm, followed by a gradual stabilization of the curve. The volume fraction directly led to a decrease in the mechanical properties of CNTBs and CNTB/polymer composites. Through specific numerical examples and in-depth analyses, it's elucidated the influence of the number of layers and the diameters of SWCNTs within a single bundle on the stiffness properties of CNTBs and CNTB/polymer composites. It is advisable to minimize the aggregation of carbon nanotubes in the matrix. To address the characteristics of random length and orientation distribution in CNTB composites, the stiffness properties in any direction of the composite are obtained via the stiffness matrix.
关键词
碳纳米管束 /
碳纳米管束复合材料 /
纤维长度 /
纤维取向 /
弹性模量 /
刚度预测
Key words
carbon nanotube bundle /
carbon nanotube bundle composite /
fiber length /
fiber orientation /
elastic modulus /
stiffness prediction
{{custom_sec.title}}
{{custom_sec.title}}
{{custom_sec.content}}
参考文献
[1] WU J Y, HUANG K, SONG L H.Influence of Temperature and Nonlinear Damping on Mechanical Properties of Single-Walled Carbon Nanotubes[J]. Diamond and Related Materials, 2024, 142: 110829.
[2] LIN Y W, SHI Q, HAO Y C, et al.The Effect of Non-Uniform Pitch Length and Spiraling Pathway on the Mechanical Properties of Coiled Carbon Nanotubes[J]. International Journal of Mechanical Sciences, 2023, 257: 108532.
[3] MALEK I, SARKAR K, ZUBAIR A.Predicting the Mechanical Properties of Pristine and Defective Carbon Nanotubes Using a Random Forest Model[J]. Nanoscale Advances, 2024, 6(20): 5112-5132.
[4] BOROUMAND F, HOSSEIN SEYEDKASHI S M, POL M H. Experimental Study of Mechanical Properties and Failure Mechanisms of Metal-Composite Laminates Reinforced with Multi-Walled Carbon Nanotubes[J]. Thin-Walled Structures, 2023, 183: 110377.
[5] TALÒ M, KRAUSE B, PIONTECK J, et al.An Updated Micromechanical Model Based on Morphological Characterization of Carbon Nanotube Nanocomposites[J]. Composites Part B: Engineering, 2017, 115: 70-78.
[6] MUSCATI I A, JAHWARI F A, PERVEZ T.Effect of CNT's Volume Fraction on the Mechanical Properties of CNT Reinforced Al/Cu Alloy Nanocomposite Using Molecular Dynamics Simulation[J/OL]. Materials Today: Proceedings, [2023-05-19].https://www.sciencedirect.com/science/article/abs/pii/S2214785323027931?via%3Dihub.
[7] GHASEMI H, YAZDANI H.Atomistic Simulation and Machine Learning Predictions of Mechanical Response in Nanotube-Polymer Composites Considering Filler Morphology and Aggregation[J]. Computational Materials Science, 2025, 246: 113399.
[8] DEMILLE K J, HALL R, LEIGH J R, et al.Materials Design Using Genetic Algorithms Informed by Convolutional Neural Networks: Application to Carbon Nanotube Bundles[J]. Composites Part B: Engineering, 2024, 286: 111751.
[9] 黄清, 彭倩群, 张文妍, 等. CNTs增强Sn-Bi基复合钎料回流焊焊点显微组织及力学性能[J]. 精密成形工程, 2024, 16(11): 160-167.
HUANG Q, PENG Q Q, ZHANG W Y, et al.Microstructure and Mechanical Properties of Reflow Solder Joints Prepared by CNTS Reinforced Sn-Bi Composite Solder[J]. Journal of Netshape Forming Engineering, 2024, 16(11): 160-167.
[10] GUO Y F, ZHANG D F, ZHANG X X, et al.Thermal Properties and Mechanical Behavior of Functionalized Carbon Nanotube-Filled Polypropylene Composites Using Molecular Dynamics Simulation[J]. Materials Today Communications, 2023, 37: 107510.
[11] CHA J, HASEGAWA K, LEE J, et al.Thermal Properties of Single-Walled Carbon Nanotube Forests with Various Volume Fractions[J]. International Journal of Heat and Mass Transfer, 2021, 171: 121076.
[12] BLACKMAN Z, OLONISAKIN K, MACFARLANE H, et al.Sustainable Basalt Fiber Reinforced Polyamide 6, 6 Composites: Effects of Fiber Length and Fiber Content on Mechanical Performance[J]. Composites Part C: Open Access, 2024, 14: 100495.
[13] OUDIANI A E, GLOUIA Y, SGHAIER R B, et al.Effect of Alkali Treatment and Fibre Length on Agave/Mortar Composite Properties[J]. Industrial Crops and Products, 2024, 222: 119530.
[14] MENTGES N, ÇELIK H, HOPMANN C, et al.Micromechanical Modelling of Short Fibre Composites Considering Fibre Length Distributions[J]. Composites Part B: Engineering, 2023, 264: 110868.
[15] CAI H, YE J J, WANG Y W, et al.Microscopic Failure Characteristics and Critical Length of Short Glass Fiber Reinforced Composites[J]. Composites Part B: Engineering, 2023, 266: 110973.
[16] AUENHAMMER R M, PRAJAPATI A, KALASHO K, et al.Fibre Orientation Distribution Function Mapping for Short Fibre Polymer Composite Components from Low Resolution/Large Volume X-Ray Computed Tomography[J]. Composites Part B: Engineering, 2024, 275: 111313.
[17] ARAVINTH K, SATHISH R, RAMAKRISHNAN T, et al.Mechanical Investigation of Agave Fiber Reinforced Composites Based on Fiber Orientation, Fiber Length, and Fiber Volume Fraction[J]. Materials Today: Proceedings, [2023-05-29]. https://www.sciencedirect.com/science/article/abs/pii/S2214785323030729.
[18] SUGIMOTO Y, IMAI Y.Analysis of the In-Plane Fiber Orientation Distribution in Carbon Fiber Composites Using Wide-Angle X-Ray Diffraction[J]. Composites Part A: Applied Science and Manufacturing, 2023, 172: 107601.
[19] BLÜMEL T, SAHR R K, KRIMMER A, et al. Investigation and Calculation of the Longitudinal Compressive Strength of Unidirectional Glass Fiber Reinforced Polymer Considering the Fiber Orientation Distribution[J]. Composites Part C: Open Access, 2024, 14: 100480.
[20] ALIAN A R, EL-BORGI S, MEGUID S A.Multiscale Modeling of the Effect of Waviness and Agglomeration of CNTS on the Elastic Properties of Nanocomposites[J]. Computational Materials Science, 2016, 117: 195-204.
[21] IIJIMA S.Helical Microtubules of Graphitic Carbon[J]. Nature, 1991, 354(6348): 56-58.
[22] THESS A, LEE R, NIKOLAEV P, et al.Crystalline Ropes of Metallic Carbon Nanotubes[J]. Science, 1996, 273(5274): 483-487.
[23] VOLKOV A N, SALAWAY R N, ZHIGILEI L V. Atomistic Simulations, Mesoscopic Modeling,Theoretical Analysis of Thermal Conductivity of Bundles Composed of Carbon Nanotubes[J]. Journal of Applied Physics, 2013, 114(10): 104301.
[24] NATSUKI T, TANTRAKARN K, ENDO M.Prediction of Elastic Properties for Single-Walled Carbon Nanotubes[J]. Carbon, 2004, 42(1): 39-45.
[25] BOGETTI T A, GILLESPIE J W.Process-Induced Stress and Deformation in Thick-Section Thermoset Composite Laminates[J]. Journal of Composite Materials, 1992, 26(5): 626-660.
[26] PIPES R B, HUBERT P.Helical Carbon Nanotube Arrays: Thermal Expansion[J]. Composites Science and Technology, 2003, 63(11): 1571-1579.
[27] LEE D J, HWANG S H, SONG Y S, et al.Statistical Modeling of Effective Elastic Modulus for Multiphased Hybrid Composites[J]. Polymer Testing, 2015, 41: 99-105.
[28] XIA M, HAMADA H, MAEKAWA Z.Flexural Stiffness of Injection Molded Glass Fiber Reinforced Thermoplastics[J]. International Polymer Processing, 1995, 10(1): 74-81.
[29] HALPIN J C, KARDOS J L.The Halpin-Tsai Equations: A Review[J]. Polymer Engineering & Science, 1976, 16(5): 344-352.
[30] DAI H L, MEI C, RAO Y N.Anisotropy of the Elastic Modulus for Hybrid Composites Reinforced by Short Fibers and Particles with Respect to Material Porosity[J]. Journal of Applied Polymer Science, 2016, 133(31): 43708.
[31] PIPES R B, HUBERT P.Helical Carbon Nanotube Arrays: Mechanical Properties[J]. Composites Science and Technology, 2002, 62(3): 419-428.
[32] AUGUSTA NETO M, YU W B, ROY S.Two Finite Elements for General Composite Beams with Piezoelectric Actuators and Sensors[J]. Finite Elements in Analysis and Design, 2009, 45(5): 295-304.
基金
太原科技大学科研启动基金（20252034）; 国家自然科学基金项目（52505416）
PDF(2455 KB)
渝公网安备 50010702501719号 渝ICP备15012534号-4
