Nature of creep deformation in nanocrystalline cupronickel alloy: A Molecular Dynamics study

Rahman, Md. Habibur; Chowdhury, Emdadul Haque; Hong, Sungwook

doi:10.1016/j.rinma.2021.100191

Cited by 7 publications

(2 citation statements)

References 50 publications

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“…Consequently, the molecular simulation method has played an important role to investigate the atomic behaviors at high temperatures or during the melting process. For examples, in Rahman’s MD simulation results 24 , they found the steady-state creeping rate of nanocrystalline Cu 0.5 Ni 0.5 alloy speeds up dramatically under the elevated stress and temperature as well as the decreasing grain size. The lattice and grain boundary diffusion play a critical factor of creeping deformation mechanism of the nanocrystalline Cu 0.5 Ni 0.5 alloy.…”

Section: Introductionmentioning

confidence: 99%

How atoms of polycrystalline Nb20.6Mo21.7Ta15.6W21.1V21.0 refractory high-entropy alloys rearrange during the melting process

Shih

2022

Sci Rep

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The melting mechanism of single crystal and polycrystalline Nb20.6Mo21.7Ta15.6W21.1V21.0 refractory high entropy alloys (RHEAs) were investigated by the molecular dynamics (MD) simulation using the second-nearest neighbor modified embedded-atom method (2NN MEAM) potential. For the single crystal RHEA, the density profile displays an abrupt drop from 11.25 to 11.00 g/cm3 at temperatures from 2910 to 2940 K, indicating all atoms begin significant local structural rearrangement. For polycrystalline RHEAs, a two-stage melting process is found. In the first melting stage, the melting of the grain boundary (GB) regions firstly occurs at the pre-melting temperature, which is relatively lower than the corresponding system-melting point. At the pre-melting temperature, most GB atoms have enough kinetic energies to leave their equilibrium positions, and then gradually induce the rearrangement of grain atoms close to GB. In the second melting stage at the melting point, most grain atoms have enough kinetic energies to rearrange, resulting in the chemical short-ranged order changes of all pairs.

show abstract

Section: Introductionmentioning

confidence: 99%

How atoms of polycrystalline Nb20.6Mo21.7Ta15.6W21.1V21.0 refractory high-entropy alloys rearrange during the melting process

Shih

2022

Sci Rep

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show abstract

“…Consequently, the molecular simulation method has played an important role to investigate the atomic behaviors at high temperatures or during the melting process. For examples, in Rahman's MD simulation results [17], they found the steady-state creeping rate of Cu0.5Ni0.5 alloy speeds up dramatically under the elevated stress and temperature as well as the decreasing grain size. The lattice and grain boundary diffusion play a critical factor of creeping deformation mechanism of the NC Cu0.5Ni0.5 alloy.…”

Section: Introductionmentioning

confidence: 99%

How Atoms of Polycrystalline Nb 20.6 Mo 21.7 Ta 15.6 W 21.1 V 21.0 refractory High-Entropy Alloys Rearrange during the Melting Process

2021

Preprint

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The melting mechanism of single crystal and polycrystalline Nb 20.6 Mo 21.7 Ta 15.6 W 21.1 V 21.0 RHEAs was investigated by the molecular dynamics (MD) simulation using the 2NN MEAM potential. For the single crystal RHEA, the density profile displays an abrupt drop from 11.25 to 11.00 g/cm 3 at temperatures from 2910 to 2940 K, indicating all atoms begin significant local structural rearrangement. For polycrystalline RHEAs, a two-stage melting process is found. In the first melting stage, the melting of the grain boundary (GB) regions firstly occurs at the pre-melting temperature, which is relatively lower than the corresponding system-melting point. At the pre-melting temperature, most GB atoms have enough kinetic energies to leave their equilibrium positions, and then gradually induce the rearrangement of grain atoms close to GB. In the second melting stage at the melting point, most grain atoms have enough kinetic energies to rearrange, resulting in the chemical short-ranged order (CSRO) changes of all pairs.

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Prediction of creep degradation in Fe-Cr-Ni single-crystal alloys for high-temperature applications: a molecular-dynamics and machine-learning approach

Kumar,

Kumar

et al. 2024

Mech Time-Depend Mater

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Nature of creep deformation in nanocrystalline cupronickel alloy: A Molecular Dynamics study

Cited by 7 publications

References 50 publications

How atoms of polycrystalline Nb20.6Mo21.7Ta15.6W21.1V21.0 refractory high-entropy alloys rearrange during the melting process

How atoms of polycrystalline Nb20.6Mo21.7Ta15.6W21.1V21.0 refractory high-entropy alloys rearrange during the melting process

How Atoms of Polycrystalline Nb 20.6 Mo 21.7 Ta 15.6 W 21.1 V 21.0 refractory High-Entropy Alloys Rearrange during the Melting Process

Prediction of creep degradation in Fe-Cr-Ni single-crystal alloys for high-temperature applications: a molecular-dynamics and machine-learning approach

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