Study of nanoindentation mechanical response of nanocrystalline structures using molecular dynamics simulations

Li, Jia; Guo, Jiawen; Luo, Hao; Fang, Qihong; Wu, Hong; Zhang, Liangchi; Liu, Youwen

doi:10.1016/j.apsusc.2015.12.145

Cited by 107 publications

(47 citation statements)

References 45 publications

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“…The size of the HEA sample is 20.8 nm× 20.8 nm× 15.5 nm, and a radius of spherical indenter with above the center of the HEA sample is 5.0 nm. The HEA sample is composed of three kinds of atoms: boundary layer atoms, thermostat layer atoms and Newtonian layer atoms [Zhu and Fang, 2012;Kelchner et al, 1998;Li et al, 2016;Ma and Yang, 2003; Newtonian atoms Thermostat atoms Boundary atoms Qiu et al, 2014;Fang et al, 2003]. As shown in Fig.…”

Section: Simulation Methods and Modelmentioning

confidence: 99%

“…The thermostat atoms with a thickness of 1.5 nm of HEA sample adjacent to the boundary atoms are kept at a constant temperature of 300 K by the velocity scaling method to imitate the heat dissipation during real indentation process. The rest of atoms are Newtonian atoms, whose motions obey classic Newton's second law [Zhu and Fang, 2012;Kelchner et al, 1998;Li et al, 2016]. Periodic boundary conditions are imposed in the x-and y-directions.…”

Section: Simulation Methods and Modelmentioning

confidence: 99%

“…After a full relaxation, the indentation begins and the indenter moves along the z-direction. Atomic interactions in Fe-Ni-Cr, Al-Al and Cu-Cu are modeled by the embedded atom method (EAM) potential [Zhu and Fang, 2012;Kelchner et al, 1998;Li et al, 2016;Ma and Yang, 2003;Qiu et al, 2014;Fang et al, 2003;Gannepalli and Mallapragada, 2001;Lai et al, 2013;Walsh et al, 2003;Goel et al, 2015], which is a multi-body potential energy function in the following form:…”

Section: Simulation Methods and Modelmentioning

confidence: 99%

See 2 more Smart Citations

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: Simulation Methods and Modelmentioning

confidence: 99%

Section: Simulation Methods and Modelmentioning

confidence: 99%

Section: Simulation Methods and Modelmentioning

confidence: 99%

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

Fang

Liu

et al. 2016

J. Micromech. Mol. Phys.

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“…More recently Li et al [76] studied the effect of grain size on the nanoindentation of Cu. They used both nc and nanotwinned (nt) Cu and compared to the indentation of an sc Cu specimen.…”

Section: Effect Of Surface and Bulk Defects On Plasticitymentioning

confidence: 99%

Atomistic Studies of Nanoindentation—A Review of Recent Advances

2017

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This review covers areas where our understanding of the mechanisms underlying nanoindentation has been increased by atomistic studies of the nanoindentation process. While such studies have been performed now for more than 20 years, recent investigations have demonstrated that the peculiar features of nanoplasticity generated during indentation can be analyzed in considerable detail by this technique. Topics covered include: nucleation of dislocations in ideal crystals, effect of surface orientation, effect of crystallography (fcc, bcc, hcp), effect of surface and bulk damage on plasticity, nanocrystalline samples, and multiple (sequential) indentation. In addition we discuss related features, such as the influence of tip geometry on the indentation and the role of adhesive forces, and how pre-existing plasticity affects nanoindentation.

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“…Nano-indentation of polycrystalline copper has been carried out with the aid of MD simulation as well [9]. The hardness, elastic recovery ratio and temperature of polycrystalline copper were found to strongly depend on crystal structure and twin-lamellae-thickness.…”

Section: Polycrystallinementioning

confidence: 99%

Nano-machining of materials: understanding the process through molecular dynamics simulation

Cui

Zhang

2016

Adv. Manuf.

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Molecular dynamics (MD) simulation has been widely applied in various complex, dynamic processes at atomistic scale, because an MD simulation can provide some deformation details of materials in nano-processing and thus help to investigate the critical and important issues which cannot be fully revealed by experiments. Extensive research with the aid of MD simulation has provided insights for the development of nanotechnology. This paper reviews the fundamentals of nano-machining from the aspect of material structural effects, such as single crystalline, polycrystalline and amorphous materials. The classic MD simulations of nano-indentation and nano-cutting which have aimed to investigate the machining mechanism are discussed with respect to the effects of tool geometry, material properties and machining parameters. On nano-milling, the discussion focuses on the understanding of the grooving quality in relation to milling conditions.

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Study of nanoindentation mechanical response of nanocrystalline structures using molecular dynamics simulations

Cited by 107 publications

References 45 publications

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

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

Atomistic Studies of Nanoindentation—A Review of Recent Advances

Nano-machining of materials: understanding the process through molecular dynamics simulation

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