Molecular dynamics analysis on the indentation hardness of nano-twinned nickel

Lv, Zhiqing; Mao, Ying; Zhang, Qin; Liu, Yijiang; Li, Rongbin

doi:10.1016/j.mtcomm.2023.107313

Cited by 3 publications

(2 citation statements)

References 53 publications

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“…Consequently, the indentation velocities employed in simulations are invariably higher than those observable in practical experiments. To maintain a balance between simulation accuracy and computational efficiency, the velocity of the indenter in the current study is fixed at 30 m s −1 based on the previous works [39][40][41][42]. Even though the chosen indentation speed of 30 m s −1 is significantly faster than the velocities typically encountered in atomic force microscopy experiments [43], it is on par with the operational conditions in certain microelectromechanical systems [44].…”

Section: Methodsmentioning

confidence: 99%

Atomic insight into nanoindentation response of nanotwinned FeCoCrNiCu high entropy alloys

Tian,

Fang,

Chen

et al. 2024

Modelling Simul. Mater. Sci. Eng.

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FeCoCrNiCu High-entropy alloys (HEAs) exhibit extraordinary mechanical properties and have the capability to withstand extreme temperatures and pressures. Their exceptional attributes make them suitable for diverse applications, from aerospace to chemical industry. We employ atomic-scale simulations to explore the effects of twinning boundary and twinning thickness on the mechanical behavior of nanotwinned FeCoCrNiCu during nanoindentation. The findings suggest that as the twinning thickness decreases within the range of 19.3 Å to 28.9 Å, both twinning partial slips and horizontal twinning partial slips gradually become dominant in governing the plastic behaviors of the nanotwinned FeCoCrNiCu, thereby resulting in an inverse Hall-Petch effect. Remarkably, when the twinning thickness is compressed below 19.3 Å, a shift in the plastic deformation mechanism emerges, triggering the conventional Hall-Petch relation. The observed Hall-Petch behavior in nanotwinned FeCoCrNiCu is attributed to the strengthening effect imparted by the twinning boundaries. Consequently, the twinning boundary play an instrumental role in steering the plastic deformation mechanism of the nanotwinned FeCoCrNiCu when the twinning thickness descends beneath 19.3 Å. This study contributes significant insights towards the design of next-generation high-performance HEAs, underpinning their potential industrial utilization.

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Section: Methodsmentioning

confidence: 99%

Atomic insight into nanoindentation response of nanotwinned FeCoCrNiCu high entropy alloys

Tian,

Fang,

Chen

et al. 2024

Modelling Simul. Mater. Sci. Eng.

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“…Previous researchers have primarily relied on experimental methods to investigate the evolution of microstructure and performance of pearlite steel wires during cold drawing, but these methods are unable to separately examine the influence of cementite structure transformation on the mechanical properties of pearlite [1][2][3][4]. Molecular dynamics (MD), as a simulation research method, provides a unique opportunity to study material properties under desired conditions [8,9]. In MD simulations, the creation and deformation of these specific structures are relatively straightforward.…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics study on the effect of cementite structure on the mechanical properties of pearlite

Zhang,

Chen,

Sun

2024

Phys. Scr.

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The effect of cementite structure on the mechanical properties of pearlite were investigated using molecular dynamics simulations. Three types of cementite structures were considered: single crystal, nanocrystalline, and a mixture of nanocrystalline and amorphous structures. The study found that regardless of the cementite structure, the ferrite phase in the pearlite exhibited plastic deformation first due to the activation of its internal {112} <111> slip system during tensile loading, resulting in macroscopic yielding of the pearlite. However, the difficulty of plastic deformation in the ferrite phase varied with different cementite structures. Compared to the other two types of cementite structures, the ferrite phase in the pearlite containing single crystal cementite exhibited the most difficult plastic deformation, leading to the highest peak stress. As the strain increased, the plastic deformation in the ferrite transferred through the ferrite-cementite interface to the cementite. After the plastic deformation transferred to the cementite, the different cementite structures exhibited distinct mechanical responses: the single crystal cementite structure experienced cleavage fracture, the nanocrystalline cementite structure underwent plastic deformation induced by grain boundary slip, while the nanocrystalline-amorphous mixture cementite structure showed shear deformation in the amorphous cementite and plastic deformation induced by grain boundary slip in the nanocrystalline cementite. Due to the influence of cementite mechanical response mechanism, the flow stress of the pearlite was minimal when the cementite in the pearlite were in single crystal structure. The study also revealed that when the cementite was in nanocrystalline structure, the flow stress of pearlite decreases with the grain size decreasing from 4.25 nm to 2.68 nm. When the cementite is a mixture of nanocrystalline and amorphous structure, the flow stress of pearlite decreases as the thickness of amorphous layer increases from 1 nm to 2 nm.

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Investigating the influence of graphene coating thickness on Al0.3CoCrFeNi high-entropy alloy using molecular dynamics simulation

Zhao,

Liu,

zhang

et al. 2024

Surface and Coatings Technology

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Molecular dynamics analysis on the indentation hardness of nano-twinned nickel

Cited by 3 publications

References 53 publications

Atomic insight into nanoindentation response of nanotwinned FeCoCrNiCu high entropy alloys

Atomic insight into nanoindentation response of nanotwinned FeCoCrNiCu high entropy alloys

Molecular dynamics study on the effect of cementite structure on the mechanical properties of pearlite

Investigating the influence of graphene coating thickness on Al0.3CoCrFeNi high-entropy alloy using molecular dynamics simulation

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