Molecular dynamics study of fatigue mechanical properties and microstructural evolution of Ni-based single crystal superalloys under cyclic loading

Chen, Bin; Wu, Wen Bing; Chen, Mingxiang; Guo, Ya-Fang

doi:10.1016/j.commatsci.2020.109954

Cited by 32 publications

(2 citation statements)

References 54 publications

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“…It can also be observed that the difference in ρ values is insignificant at 77 K and 300 K. It can be observed that compared with experimental studies done conventionally, the specimen tends to take much fewer cycles in order to attain saturation in dislocation density. This is due to the length and timescale used in MD studies where the timestep used is 2 femtoseconds (fs) and the dimension of specimen is in the scale of angstroms 61 . The lower timestep causes very high strain rates (in the range of 1/fs), which seems to be much higher compared with experimental studies.…”

Section: Dislocation Analysesmentioning

confidence: 99%

Atomistic simulation of rolling contact fatigue behavior of a face‐centered cubic material (nickel)

Goswami,

Pal,

Gupta

2023

Fatigue Fract Eng Mat Struct

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The atomic‐level fundamental understanding of the rolling contact fatigue (RCF) mechanism using molecular dynamics (MD) simulation is yet to be understood more clearly. In this paper, the atomistic behavior of the single‐crystal Ni is studied under dynamic rolling contact loading with the help of MD simulations at varying temperatures of the specimen. The deformed material is investigated using atomic strain analyses to evaluate the shear, volumetric strain distribution, and von Mises stress. Furthermore, dislocation and stacking–fault analyses are done to determine the deformation mechanism of the material with the oscillation cycles. Simulation studies infer that dislocation defects tend to increase with the temperature of the specimen logarithmically. The deformation majorly results in partial dislocations, indicating low stacking fault (SF) energy. The present work opens up a new field of study to understand the RCF mechanisms, which can provide the foundational work to understand other face‐centered cubic (FCC) materials.

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Section: Dislocation Analysesmentioning

confidence: 99%

Atomistic simulation of rolling contact fatigue behavior of a face‐centered cubic material (nickel)

Goswami,

Pal,

Gupta

2023

Fatigue Fract Eng Mat Struct

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“…While Shang et al [28] used an embedded atom method (EAM) in MD simulation to study the plastic deformation mechanism at the interface of Ni/Ni 3 Al alloy with a pre-existing void under tensile loading. Bin et al [29] further studied fatigue properties and the deformation mechanism of superalloys under a cyclic tension-andcompression load by MD simulations which provided some important information for understanding the fatigue mechanism of superalloys from the atomic point of view. Most above research has all shown that MD was an effective way to simulate the damage process.…”

Section: Introductionmentioning

confidence: 99%

Modeling of the Effect of Secondary Orientation on the Micro Deformation Behavior of Ni-Based Single Crystal Superalloys

Wei

Song

Zhang

et al. 2022

Metals

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In this paper, a supercell modeling of secondary orientation was established using 90 cubic mosaic units made up of γ’ phase embedded in γ matrix, in accordance with an actual structure of Ni-based single crystal superalloys (NSCS). The effects of secondary orientation on the deformation behavior and microstructure evolution of NSCS under uniaxial tensile were studied by a three-dimensional molecular dynamics (MD) simulation. Simulation results showed that secondary orientation had a significant effect on mechanical properties of NSCS, that is, a big fluctuation was found in tensile strength which dropped down almost 50% from a peak (corresponding to the secondary orientations of 18° and 45°) to a trough (those of 34° and 63°). Mechanisms of secondary orientation affecting the deformation behavior were further discussed systematically. The deformation of NSCS under uniaxial tensile was a process tending towards amorphization of microstructure, together with the dislocation formation, merging and break-up. On a micro viewpoint, this work for us will be useful to apprehend the tensile deformation conduct of NSCS.

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Micro Defects Evolution of Nickel-Based Single Crystal Superalloys during Shear Deformation: A Molecular Dynamics Study

Zhang,

Chen,

Zhu

et al. 2023

Acta Metall. Sin. (Engl. Lett.)

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Molecular dynamics study of fatigue mechanical properties and microstructural evolution of Ni-based single crystal superalloys under cyclic loading

Cited by 32 publications

References 54 publications

Atomistic simulation of rolling contact fatigue behavior of a face‐centered cubic material (nickel)

Atomistic simulation of rolling contact fatigue behavior of a face‐centered cubic material (nickel)

Modeling of the Effect of Secondary Orientation on the Micro Deformation Behavior of Ni-Based Single Crystal Superalloys

Micro Defects Evolution of Nickel-Based Single Crystal Superalloys during Shear Deformation: A Molecular Dynamics Study

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