Kolesnikov Vyacheslav, Mironov Roman, Baimova Julia
Ufa Physical-Technical Institute, University of Science and Technology, Z. Validi 32, 450076 Ufa, Russia.
Institute for Metals Superplasticity Problems of the Russian Academy of Sciences, 450001 Ufa, Russia.
Materials (Basel). 2024 Nov 24;17(23):5753. doi: 10.3390/ma17235753.
With the developments in nanotechnology, the elaborate regulation of microstructure shows attractive potential in the design of new composite materials. Herein, composite materials composed of graphene network filled with metal nanoparticles are analyzed to optimize the fabrication process and mechanical properties. In the present work, molecular dynamic simulations are used to analyze the possibility of obtaining a composite structure with Ni-decorated graphene. The weak bonding at the graphene-copper and graphene-aluminum interfaces is manipulated by functionalizing graphene with nickel nanoclusters. It is found that Ni decoration considerably increases interfacial bonding and, at the same time, prevents the formation of a strong graphene network. It is found that Ni decoration for the Al/graphene composite increases the its ductility by 0.6, while increasing it for the Cu/graphene composite by about 0.5. Ultimate tensile strength of the composite with Al and Cu is close and equal to 22 GPa, respectively. The strength of the composite with Ni-decorated graphene is much lower and equal to 13 GPa for Cu/graphene/Ni and 17 GPa for Al/graphene/Ni. While Young's modulus for the Cu/graphene composite is 18 GPA, for Al/graphene, Al/graphene/Ni, and Cu/graphene/Ni, it is 12 GPa. The obtained results demonstrate the future prospects of the graphene modification for better composite enhancement.
随着纳米技术的发展，微观结构的精细调控在新型复合材料设计中显示出诱人的潜力。在此，对由填充金属纳米颗粒的石墨烯网络组成的复合材料进行分析，以优化制造工艺和力学性能。在本工作中，使用分子动力学模拟来分析获得镍修饰石墨烯复合结构的可能性。通过用镍纳米团簇对石墨烯进行功能化处理，调控石墨烯与铜和石墨烯与铝界面处的弱键合。研究发现，镍修饰显著增强了界面结合力，同时防止了强石墨烯网络的形成。研究发现，对铝/石墨烯复合材料进行镍修饰使其延展性提高了0.6，而对铜/石墨烯复合材料进行镍修饰则使其延展性提高了约0.5。含铝和铜的复合材料的极限抗拉强度相近，分别为22吉帕。含镍修饰石墨烯的复合材料强度低得多，铜/石墨烯/镍复合材料为13吉帕，铝/石墨烯/镍复合材料为17吉帕。铜/石墨烯复合材料的杨氏模量为18吉帕，而铝/石墨烯、铝/石墨烯/镍和铜/石墨烯/镍复合材料的杨氏模量为12吉帕。所得结果证明了石墨烯改性在更好地增强复合材料方面的未来前景。
