Atomistic investigation of scratching-induced deformation twinning in nanocrystalline Cu

Zhang, Jun Jie; Sun, Tao; Yan, Yoganda; Dong, Shen; Li, Xiaodong

doi:10.1063/1.4757937

Cited by 22 publications

(10 citation statements)

References 41 publications

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“…This is consistent with previous MD calculations in single crystal metals [Nishikawa and Soyama, 2011;Cheng et al, 2014]. According to the previous work [Yamakov et al, 2002;Zhang et al, 2012], a single hexagonal-close-packed (HCP) coordinated-layer represents a coherent twin boundary (TB), the two adjacent HCP-coordinatedlayers denote an intrinsic stacking fault (ISF) and the two HCP-coordinated-layers with a FCC-coordinated-layer between them indicate an extrinsic stacking fault (ESF). Figure 8 highlights the nucleation of ISF and ESF at an indentation depth of 1.50 nm and 3.0 nm.…”

Section: Resultssupporting

confidence: 80%

Atomic-scale analysis of nanoindentation behavior of high-entropy alloy

Fang

Liu

et al. 2016

J. Micromech. Mol. Phys.

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Using molecular dynamics simulations, we study the elastic and plastic deformations of indentation in FeCrCuAlNi high-entropy alloy (HEA). The indentation tests are carried out using spherical rigid indenter to investigate the effects of high-entropy and severe lattice distortion in terms of shear strain, indentation force, surface morphology, defect structure, dislocation evolution and radial distribution function on the deformation processes. It can be found that when the indentation depth increases, the shear stress requires for the occurrence of the contact area between the indenter and the substrate increased, which is attributable to a higher probability to observe the dislocation evolution under a large indentation depth. The indentation test also shows that the equal element addition can significantly improve the mechanical properties of HEA compared with the conventional alloy. Based on the Hertzian fitting, the FeCrCuAlNi HEA has the Young's modulus of 161 GPa and hardness of 15.4 GPa, respectively. These values are higher than that of traditional metal materials, due to the low stacking fault energy and the dense atomic arrangement in the slip plane of HEA. In the plastic region, the Fe element causes the more stable crystal structure, much stronger than the Cu element, presumably resulted from a variety of crystal structures for Fe in the multicomponent FeCrCuAlNi alloy. Further, this effective strategy is used to accelerate the discovery of excellent mechanical properties of HEAs.

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Section: Resultssupporting

confidence: 80%

Atomic-scale analysis of nanoindentation behavior of high-entropy alloy

Fang

Liu

et al. 2016

J. Micromech. Mol. Phys.

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“…The common neighbor analysis (CNA) 24 was adopted to distinguish the difference between dislocation cores and intrinsic stacking faults (ISFs) during nanoscale cutting. Based on the previous work, 25,26 a single hexagonal-close-packed (HCP) coordinated layer is a coherent TB, the two adjacent HCP-coordinated-layers means an ISF, and the two HCP-coordinated-layers with a FCC-coordinated-layer between them denote an extrinsic stacking fault (ESF).…”

Section: Simulation and Methodologymentioning

confidence: 99%

Investigation of tool geometry in nanoscale cutting single-crystal copper by molecular dynamics simulation

Dai

Chen

et al. 2019

Proceedings of the Institution of Mechanical Engineers, Part J:

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Molecular dynamics has been employed in this paper to investigate the nanoscale cutting process of single-crystal copper with a diamond tool. The behavior of the workpiece during material removal by diamond cutting has been studied. The effects of tool geometry including rake angle, clearance angle, and edge radius are thoroughly investigated in terms of chips, dislocation movement, temperature distribution, cutting temperature, cutting force, and friction coefficient. The investigation showed that an appropriate positive rake angle ([Formula: see text]), a suitable clearance angle ([Formula: see text]), or a smaller edge radius tip resulted in a smaller cutting force and a better subsurface finish. It was found that a tool with a rake angle of [Formula: see text] generated more chips, had a higher cutting efficiency, and produced a lower temperature in the workpiece, but a smaller rake angle tip was more conducive to protecting the groove compared to a large rake angle tip. Compared with a tool with a small clearance angle, the tool with a larger clearance angle generated more chips and caused a lower temperature rise in the copper workpiece, and prolonged its lifetime. In addition, a larger clearance angle tip was more conducive to protecting the groove. A smaller edge radius tip reduces the cutting heat during the nanoscale cutting process, while the volume of chips decreases. These results indicated that it is possible to control and adjust the tool parameters according to the tool rake angle, clearance angle, and edge radius during the machining of single-crystal copper, and a set of tool parameters were obtained: [Formula: see text] rake angle, [Formula: see text] clearance angle, and 0 nm edge radius which could reduce surface damage and the required cutting force.

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“…In contrast to TBs that cause shape change of the templates, the formation of ISF only leads to shear of the upper part of the template by an atomic step, as demonstrated by Figure 4c. The defect structure presented in Figure 4b is an ESF, which originates from the dissociation of ISF [26]. Figure 4d presents the severe plastic deformation of the template, in which the dislocation mechanism and deformation twinning works in parallel.…”

Section: Resultsmentioning

confidence: 99%

Template-assisted nanostructure fabrication by glancing angle deposition: a molecular dynamics study

et al. 2013

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In the present work, we investigate the pre-existing template-assisted glancing angle deposition of Al columnar structures on Cu substrate by means of molecular dynamics simulations, with a focus on examining the effect of deposition-induced template deformation on the morphologies of the fabricated structures. Our simulations demonstrate that the pre-existing templates significantly intensify the shadowing effect, which thus facilitates the formation of columnar structures under small deposition flux. The underlying deformation modes of the templates under different deposition configurations are analyzed and are correlated to the geometrical characteristics of the columnar structures. It is found that the template height-dependent deformation behavior of the templates strongly influences the morphologies of the fabricated columnar structures. Our findings provide design and fabrication guidelines for the fabrication of one-dimensional nanostructures by the template-assisted deposition technique.

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Atomistic investigation of scratching-induced deformation twinning in nanocrystalline Cu

Cited by 22 publications

References 41 publications

Atomic-scale analysis of nanoindentation behavior of high-entropy alloy

Atomic-scale analysis of nanoindentation behavior of high-entropy alloy

Investigation of tool geometry in nanoscale cutting single-crystal copper by molecular dynamics simulation

Template-assisted nanostructure fabrication by glancing angle deposition: a molecular dynamics study

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