| Cite this article as: Yang Xi-Yuan. Atomistic simulation about the effect of Ru cluster on the deformation of Ni/Ni3Al alloy nanowire [J]. J. At. Mol. Phys.(原子与分子物理学报), 2025, 42: 012004 (in Chinese) |
| Atomistic simulation about the effect of Ru cluster on the deformation of Ni/Ni3Al alloy nanowire |
| Hits 81 Download times 25 Received:April 21, 2023 Revised:May 28, 2023 |
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| DOI
10.19855/j.1000-0364.2025.012004 |
| Key Words
Ru cluster Deformation mechanism Ni/Ni3Al nanowire Atomistic simulation |
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| Abstract
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| Nickel-based superalloy, the high-temperature mechanical properties of which were directly related to the operational safety and service life of the engine, was one of the key materials for manufacturing advanced aeroengine hot-section components. In the paper, the influence of ruthenium (Ru) cluster on the deformation mechanism of Ni/Ni3Al nanowire was studied by using the modified analytical embedded atomic model(MAEAM) and molecular dynamics(MD). The obtained results showed that the elastic modulus and yield strength of alloy nanowires decreased with increasing temperature. With the usage of uniaxial tensile strain, the deformation of nanowires at the lower temperature was caused by the generation and emission of dislocations, which led to lattice slippage. The anharmonic effect of lattice thermal vibration was unobvious. However, the significant blocking effect of Ru cluster on the crystalline glide resulted in a slippage area, the distribution of which was only between the cluster and the Ni/Ni3Al phase interface and was asymmetric. At the higher temperature, the deformation of nanowire was caused by lattice slippage attributing to dislocation emission. Due to the remarkable anharmonic vibration effect, the Ru cluster could ineffectively impede lattice glide and the slip region was asymmetrically distributed with respect to the Ru clusters in the Ni3Al phase. |
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