A molecular dynamics study on mechanical performance and deformation mechanisms in nanotwinned NiCo-based alloys with nano-precipitates under high temperatures

doi:10.1088/1674-1056/ad6cca

Abstract Molecular dynamics simulations are performed to investigate the mechanical behavior of nanotwinned NiCo-based alloys containing coherent L1$_{2}$ nano-precipitates at different temperatures, as well as the interactions between the dislocations and nano-precipitates within the nanotwins. The simulation results demonstrate that both the yield stress and flow stress in the nanotwinned NiCo-based alloys with nano-precipitates decrease as the temperature rises, because the higher temperatures lead to the generation of more defects during yielding and lower dislocation density during plastic deformation. Moreover, the coherent L1$_{2}$ phase exhibits excellent thermal stability, which enables the hinderance of dislocation motion at elevated temperatures via the wrapping and cutting mechanisms of dislocations. The synergistic effect of nanotwins and nano-precipitates results in more significant strengthening behavior in the nanotwinned NiCo-based alloys under high temperatures. In addition, the high-temperature mechanical behavior of nanotwinned NiCo-based alloys with nano-precipitates is sensitive to the size and volume fraction of the microstructures. These findings could be helpful for the design of nanotwins and nano-precipitates to improve the high-temperature mechanical properties of NiCo-based alloys.

Keywords: NiCo-based alloys high temperature nano-precipitate nanotwins molecular dynamics simulation mechanical behavior deformation mechanism dislocations

Received: 23 May 2024
Revised: 04 August 2024
Accepted manuscript online: 08 August 2024

PACS:	62.20.F-	(Deformation and plasticity)
	61.72.Mm	(Grain and twin boundaries)
	68.35.bd	(Metals and alloys)
	02.70.Ns	(Molecular dynamics and particle methods)

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 12072317) and the Natural Science Foundation of Zhejiang Province (Grant No. LZ21A020002). Ligang Sun gratefully acknowledges the support received from the Guangdong Basic and Applied Basic Research Foundation (Grant No. 22022A1515011402), the Science, Technology and Innovation Commission of Shenzhen Municipality (Grant No. GXWD20231130102735001), and Development and Reform Commission of Shenzhen (Grant No. XMHT20220103004).

Corresponding Authors: Linli Zhu
E-mail: llzhu@zju.edu.cn

Cite this article:

Zihao Yu(于子皓), Hongyu Wang(王鸿宇), Ligang Sun(孙李刚), Zhihui Li(李志辉), and Linli Zhu(朱林利) A molecular dynamics study on mechanical performance and deformation mechanisms in nanotwinned NiCo-based alloys with nano-precipitates under high temperatures 2024 Chin. Phys. B 33 116201

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A molecular dynamics study on mechanical performance and deformation mechanisms in nanotwinned NiCo-based alloys with nano-precipitates under high temperatures

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