Study of Nanoscratching Process of GaAs Using Molecular Dynamics

Yi, Defu; Li, Jianyong; Zhu, Pengzhe

doi:10.3390/cryst8080321

Cited by 12 publications

(5 citation statements)

References 33 publications

(71 reference statements)

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“…The study also confirmed that the anisotropy of the surface grain direction had an important influence on the distribution of residual stresses. Yi et al [ 34 ] utilized molecular dynamics to examine GaAs nanoscratching in chemical mechanical polishing. Phase transformation and amorphization were the dominant deformation mechanisms.…”

Section: Introductionmentioning

confidence: 99%

Investigation of Gallium Arsenide Deformation Anisotropy during Nanopolishing via Molecular Dynamics Simulation

Zhao,

Gao,

Pan

et al. 2024

Micromachines

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Crystal orientation significantly influences deformation during nanopolishing due to crystal anisotropy. In this work, molecular dynamics (MD) simulations were employed to examine the process of surface generation and subsurface damage. We conducted analyses of surface morphology, mechanical response, and amorphization in various crystal orientations to elucidate the impact of crystal orientation on deformation and amorphization severity. Additionally, we investigated the concentration of residual stress and temperature. This work unveils the underlying deformation mechanism and enhances our comprehension of the anisotropic deformation in gallium arsenide during the nanogrinding process.

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Section: Introductionmentioning

confidence: 99%

Investigation of Gallium Arsenide Deformation Anisotropy during Nanopolishing via Molecular Dynamics Simulation

Zhao,

Gao,

Pan

et al. 2024

Micromachines

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“…According to the literature review, many molecular dynamics (MD) studies were published during the last decade and further studies on nanomachining of GaAs are emerging. These studies shed light on aspects of crack formation [15] during singlepoint diamond turning (SPDT), plastic deformation of GaAs [16], and the material removal mechanism during chemo-mechanical polishing [17]. However, these studies did not address aspects of the size effect observed in GaAs much like the other brittle materials, and they also did not clarify whether the kinetic COF is a sufficiently robust indicator to compare simulations and experiments, especially in this era of the digital twin.…”

Section: Introductionmentioning

confidence: 99%

Atomic-Scale Friction Studies on Single-Crystal Gallium Arsenide Using Atomic Force Microscope and Molecular Dynamics Simulation

et al. 2021

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This paper provides a fresh perspective and new insights into nanoscale friction by investigating it through molecular dynamics (MD) simulation and atomic force microscope (AFM) nanoscratch experiments. This work considered gallium arsenide, an important III–V direct bandgap semiconductor material residing in the zincblende structure, as a reference sample material due to its growing usage in 5G communication devices. In the simulations, the scratch depth was tested as a variable in the fine range of 0.5–3 nm to understand the behavior of material removal and to gain insights into the nanoscale friction. Scratch force, normal force, and average cutting forces were extracted from the simulation to obtain two scalar quantities, namely, the scratch cutting energy (defined as the work performed to remove a unit volume of material) and the kinetic coefficient of friction (defined as the force ratio). A strong size effect was observed for scratch depths below 2 nm from the MD simulations and about 15 nm from the AFM experiments. A strong quantitative corroboration was obtained between the specific scratch energy determined by the MD simulations and the AFM experiments, and more qualitative corroboration was derived for the pile-up and the kinetic coefficient of friction. This conclusion suggests that the specific scratch energy is insensitive to the tool geometry and the scratch speed used in this investigation. However, the pile-up and kinetic coefficient of friction are dependent on the geometry of the tool tip.

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“…Fan et al [ 16 ] investigated the ductile response of gallium arsenide by MD simulation and turning experiments. Yi et al [ 17 ] studied the phase transformation and anisotropic of gallium arsenide in nanoscratch process via MD simulation. In this paper, a series of three-dimensional MD simulations are carried out to investigate the ductile deformation in the process of nano-cutting on monocrystalline gallium arsenide.…”

Section: Introductionmentioning

confidence: 99%

Subsurface Deformation Mechanism in Nano-cutting of Gallium Arsenide Using Molecular Dynamics Simulation

Chen

Lai

2021

Nanoscale Res Lett

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During the nano-cutting process, monocrystalline gallium arsenide is faced with various surface/subsurface deformations and damages that significantly influence the product’s performance. In this paper, molecular dynamics simulations of nano-cutting on gallium arsenide are conducted to investigate the surface and subsurface deformation mechanism. Dislocations are found in the machined subsurface. Phase transformation and amorphization are studied by means of coordination numbers. Results reveal the existence of an intermediate phase with a coordination number of five during the cutting process. Models with different cutting speeds are established to investigate the effects on the dislocation. The effect of crystal anisotropy on the dislocation type and density is studied via models with different cutting orientations. In addition, the subsurface stress is also analyzed.

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Study of Nanoscratching Process of GaAs Using Molecular Dynamics

Cited by 12 publications

References 33 publications

Investigation of Gallium Arsenide Deformation Anisotropy during Nanopolishing via Molecular Dynamics Simulation

Investigation of Gallium Arsenide Deformation Anisotropy during Nanopolishing via Molecular Dynamics Simulation

Atomic-Scale Friction Studies on Single-Crystal Gallium Arsenide Using Atomic Force Microscope and Molecular Dynamics Simulation

Subsurface Deformation Mechanism in Nano-cutting of Gallium Arsenide Using Molecular Dynamics Simulation

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