Atomic simulations of nanoscale friction behavior in polycrystalline alloy 690

Zhou, Ai-Long; Bai, Zhan; Hou, Huaiyu; Han, Yao-Lei; Mei, Jinna

doi:10.1088/2053-1591/ac95fb

Cited by 3 publications

(2 citation statements)

References 25 publications

(26 reference statements)

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“…The essence of SSD in copper-nickel alloy workpieces is dislocation slip caused by atomic extrusion and shear, so the degree of SSD in workpieces is closely related to dislocation activity [52]. Therefore, we further analyzed the evolution of various dislocations during the nano-cutting process.…”

Section: Effect Of Nano-cutting Depths On Damage Evolutionmentioning

confidence: 99%

Study on the atomic removal behavior and damage formation mechanism of nano cutting copper–nickel alloy with diamond tool

He,

Gao,

Tang

et al. 2024

Modelling Simul. Mater. Sci. Eng.

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The effects of tool rake angle and cutting depth on cutting temperature, cutting force, friction coefficient of rake tool face, atomic accumulation of chip flow and removal, surface quality, sub-surface damage layer thickness, atomic stress, and dislocation evolution were studied by molecular dynamics simulations. The results showed that the cutting temperature was concentrated on the chip, and the chip was easy to flow out with the increase of the tool rake angle, which weakens the extrusion and shearing action of the workpiece, resulting in the gradual reduction of tangential force. The tool rake angle of 10° is beneficial to improve the surface/subsurface quality of the workpiece. The minimum root-mean-square roughness obtained was 0.73 Å. The atomic stress of the workpiece was mainly concentrated around the area of interaction with the tool, and the atoms on the finished surface underwent elastic recovery, so the atomic stress was not significant. The 1/6<112> (Shockley) dislocation density had always been in the leading position, and 1/6<112> (Shockley) dislocation was continuously synthesized and decomposed during the nano-cutting process. With the increase of cutting depth, the number of atoms removed increases rapidly, and the width of chip side flow increases, but the symmetry is weakened. The contour line map even shows deep wave valleys caused by the absence of atoms, which increases the surface roughness. Moreover, the area and depth of the atomic stress distribution in the subsurface layer increase, and the number of amorphous atoms and dislocation density increase.

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Section: Effect Of Nano-cutting Depths On Damage Evolutionmentioning

confidence: 99%

Study on the atomic removal behavior and damage formation mechanism of nano cutting copper–nickel alloy with diamond tool

He,

Gao,

Tang

et al. 2024

Modelling Simul. Mater. Sci. Eng.

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“…The decomposition and synthesis of dislocations is also crucial in the evolution of dislocations [44]. The evolution of different types of dislocations during sliding and rubbing was extracted, and figure 16 shows the decomposition process of dislocations during sliding and rubbing.…”

Section: Analysis Of Dislocation Linesmentioning

confidence: 99%

Study on the microscopic wear mechanism of nanoparticles sliding stainless steel

Sun

Yuan

Zheng

et al. 2023

Modelling Simul. Mater. Sci. Eng.

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In order to reveal the nanoscale friction behaviour and wear mechanism of 304 stainless steel during nano particles sliding, this study investigated the effects of sliding velocity and depth on the surface morphology, temperature, mechanical forces, coefficient of friction and sub-surface damage (SSD) of stainless steel by employing molecular dynamics simulations. The results demonstrate that the atoms symmetrically stack on both sides of the sliding grooves during the sliding process. Sliding friction, friction coefficient, defective atoms, phase changing degree and the length of dislocation line increases as the indentation depth of the abrasives, while sliding velocity had little impact on them. Temperature in sliding area and the squeezing effect distinctly increases with the indentation depth the abrasives, which leads more serious damage on the surface of workpiece. The damage layer with a sliding depth of 20 Å can reach about 57.2 Å at a sliding velocity of 100m/s, and it has a maximum value of 41.1 Å at a sliding distance of 50 Å. However, increasing sliding velocity can decline the surface SSD layer, which was at a sliding depth of 20 Å. The microscopic atoms evolution presented in the study uncovers the nano-sliding wear mechanism of stainless steel.

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A first-principles theoretical study of structural, electronic, and magnetic properties of lead-doped alloys of praseodymium bismuth compounds PrPbxBi1-x

Siddique,

Ur-Rehman,

Khan

et al. 2024

DJNB

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The magnetic, electronic, and structural properties of the cubic phase of lead-doped alloys of praseodymium bismuth compounds with the generic formula PrPbxBi1-x (x = 0, 0.25, 0.50, 0.75, and 1.0) have been reported in this paper by employing the formalism of density functional theory (DFT). For the analysis of physical properties, we have executed the full-potential linearized augmented plane wave plus local orbit (FPLAPW+lo) technique, while the exchange-correlation potentials in the Kohn-Sham equation (KSE) are implemented within the generalized gradient approximation (GGA) extended by the Perdew-Burke-Ernzerhof (PBE) correction. The structural parameters, lattice constants, volume, bulk modulus, pressure derivatives, and energy have been computed with the Wein2k code by fitting total energy through Murnaghan's equation of state. The structural stability of the compounds has been reported from the spin-polarized calculations. The electronic energy bands and total and partial densities of states of the compounds have been calculated in both majority and minority spins, depicting them as metallic. The similar spectrum intensities of the Pr(5d+4f) and (Pb +Bi)2p states account for the majority of the contribution to the density of states near the Fermi energy level. The spin magnetic moments computed for the supercell of the doped compounds have indicated that they are magnetic materials. From the comparison of spin magnetic moments in the PrBi compound, we noticed an improvement in the magnetic moments after doping lead into the PrBi compound.

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Atomic simulations of nanoscale friction behavior in polycrystalline alloy 690

Cited by 3 publications

References 25 publications

Study on the atomic removal behavior and damage formation mechanism of nano cutting copper–nickel alloy with diamond tool

Study on the atomic removal behavior and damage formation mechanism of nano cutting copper–nickel alloy with diamond tool

Study on the microscopic wear mechanism of nanoparticles sliding stainless steel

A first-principles theoretical study of structural, electronic, and magnetic properties of lead-doped alloys of praseodymium bismuth compounds PrPbxBi1-x

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