Krylova Karina A, Safina Liliya R, Murzaev Ramil T, Baimova Julia A, Mulyukov Radik R
Institute for Metals Superplasticity Problems of the Russian Academy of Sciences, Khalturina 39, 450001 Ufa, Russia.
Department of Physics and Technology of Nanomaterials, Bashkir State University, Validy Str. 32, 450076 Ufa, Russia.
Materials (Basel). 2021 Jun 4;14(11):3087. doi: 10.3390/ma14113087.
The effect of the size of nickel nanoparticles on the fabrication of a Ni-graphene composite by hydrostatic pressure at 0 K followed by annealing at 1000 and 2000 K is studied by molecular dynamics simulation. Crumpled graphene, consisting of crumpled graphene flakes interconnected by van der Waals forces is chosen as the matrix for the composite and filled with nickel nanoparticles composed of 21 and 47 atoms. It is found that the main factors that affect composite fabrication are nanoparticle size, the orientation of the structural units, and temperature of the fabrication process. The best stress-strain behavior is achieved for the Ni/graphene composite with Ni47 nanoparticle after annealing at 2000 K. However, all of the composites obtained had strength property anisotropy due to the inhomogeneous distribution of pores in the material volume.
通过分子动力学模拟研究了镍纳米颗粒尺寸对在0 K静水压力下制备镍-石墨烯复合材料并随后在1000 K和2000 K退火的影响。选择由通过范德华力相互连接的皱缩石墨烯薄片组成的皱缩石墨烯作为复合材料的基体，并填充由21个和47个原子组成的镍纳米颗粒。结果发现，影响复合材料制备的主要因素是纳米颗粒尺寸、结构单元的取向以及制备过程的温度。在2000 K退火后，含Ni47纳米颗粒的Ni/石墨烯复合材料具有最佳的应力-应变行为。然而，由于材料体积中孔隙分布不均匀，所有获得的复合材料都具有强度性能各向异性。
