Molecular dynamics simulation of dislocation network formation and tensile properties of graphene/TiAl-layered composites

TiAl alloys are favored by the aerospace industry due to its excellent mechanical properties. However，its intrinsic brittleness, the use of conventional cutting process leads to the problems of high cutting force and high cutting temperature, which in turn affects the machined surface quality. Ultrasonic elliptical vibratory cutting (UEVC) has been proved to be an effective method to improve the surface quality and reduce the subsurface damage of difficult-to-machine materials. This paper compares the effects of conventional cutting (CC) and UEVC processes on cutting forces and subsurface damage based on molecular dynamics simulation methods, and the effects of elliptical vibration frequencies and amplitude ratios on surface morphology, roughness, and subsurface damage are investigated. The results show that the cutting force and subsurface damage in the UEVC process are reduced compared with that in the CC. Due to the vibration frequency, the subsurface damage is mainly dominated by atomic clusters, and both surface and subsurface masses show an optimization trend as the vibration frequency decreases. In terms of the amplitude ratio, the surface quality is better at an amplitude ratio of 2/3, with less activation of immovable dislocations, and the degree of subsurface damage decreases as the amplitude ratio increases, and a relatively stable defective structure emerges when the amplitude ratio is 1/2. The simulation results facilitate an atomic-scale comprehension of the removal mechanism of UEVC and further provide a theoretical foundation for the surface mass and subsurface damage mechanism and optimization of vibrational parameters of UEVC single crystal γ-TiAl alloy.

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Graphene/Metal Composites Decorated with Ni Nanoclusters: Mechanical Properties

Kolesnikov,

Mironov,

Baimova

2024

Materials

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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.

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Molecular dynamics simulation of dislocation network formation and tensile properties of graphene/TiAl-layered composites

Cited by 4 publications

References 39 publications

Effect of Support Height on Microstructure and Mechanical Properties of Selective Laser Melting Ti–15Mo Alloy

Effect of Support Height on Microstructure and Mechanical Properties of Selective Laser Melting Ti–15Mo Alloy

Effect of UEVC parameters on cutting surface quality and subsurface damage of single crystal γ-TiAl alloy via atomic simulation

Graphene/Metal Composites Decorated with Ni Nanoclusters: Mechanical Properties

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