On the atomistic mechanisms of grain boundary migration in [001] twist boundaries: Molecular dynamics simulations

Yan, X.; Zhang, Hao

doi:10.1016/j.commatsci.2010.03.029

Cited by 14 publications

(4 citation statements)

References 29 publications

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“…An issue still requiring clarification is why annealing twin formation is promoted by the grain boundary migration velocity. From an atomistic point of view, two types of atomic motions can be depicted during grain boundary migration in molecular dynamic simulations [26,27]:…”

Section: Discussionmentioning

confidence: 99%

Thermo-mechanical factors influencing annealing twin development in nickel during recrystallization

Jin

Rollett

et al. 2015

J Mater Sci

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International audienceThe effects of prior stored energy level, annealing temperature, heating velocity, and initial grain size on annealing twin development during static recrystallization of commercially pure nickel (99.999 %) are investigated. The twin content (measured as the twin boundary density or as the number of twins per grain) at the end of recrystallization is shown to be primarily influenced by the prior stored energy level and by the initial grain size, but the effects of heating rate and the annealing temperature are negligible. Taken together, the results are consistent with a new proposition that roughness of the recrystallization front promotes the formation of annealing twins during recrystallization

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Section: Discussionmentioning

confidence: 99%

Thermo-mechanical factors influencing annealing twin development in nickel during recrystallization

Jin

Rollett

et al. 2015

J Mater Sci

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“…For GB motion, a comprehensive molecular dynamics study of lowangle GB mobility was reported by Rahman et al 20 in a pure aluminum system. Yan et al 21 performed simulations to characterize the atomic motions that govern GB migration in a series of twist boundaries. Farkas et al 22 made simulations on GB migration during room temperature deformation of nanocrystalline Ni.…”

Section: Introductionmentioning

confidence: 99%

Inhibition effect on the evolution of a twist grain boundary for an Al/Ni bimetal interface under torsion

Qiao

Chi

et al. 2015

RSC Adv.

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“…Previously, it has been assumed that high Σ GBs cannot move via the ordered shuffling transformations of low Σ GBs because of the complex shuffles required in large CSL unit cells ( [70]). The FCC Ni migration dataset offers several counterexamples to this statement, but also highlights the importance of simultaneous GB diffusion and migration mechanisms during the motion of high Σ GBs.…”

Section: Characteristic Shuffling Patterns For High σ Gbsmentioning

confidence: 99%

A taxonomy of grain boundary migration mechanisms via displacement texture characterization

Chesser,

Runnels,

Holm

2021

Preprint

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Atomistic simulations provide the most detailed picture of grain boundary (GB) migration currently available. Nevertheless, extracting unit mechanisms from atomistic simulation data is difficult because of the zoo of competing, geometrically complex 3D atomic rearrangement processes. In this work, we introduce the displacement texture characterization framework for analyzing atomic rearrangement events during GB migration, combining ideas from slip vector analysis, bicrystallography and optimal transportation. Two types of decompositions of displacement data are described: the shear-shuffle and min-shuffle decomposition.The former is used to extract shuffling patterns from shear coupled migration trajectories and the latter is used to separate geometrically distinct, temperature dependent shuffling mechanisms. As an application of the displacement texture framework, we characterize the GB geometry dependence of shuffling mechanisms for a crystallographically diverse set of mobile GBs in FCC Ni bicrystals. Two scientific contributions from this analysis include 1) an explanation of the boundary plane dependence of shuffling patterns via metastable GB geometry and 2) a taxonomy of multimodal constrained GB migration mechanisms which may include multiple competing shuffling patterns, period doubling effects, distinct sliding and shear coupling events, and GB self diffusion.

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On the atomistic mechanisms of grain boundary migration in [001] twist boundaries: Molecular dynamics simulations

Cited by 14 publications

References 29 publications

Thermo-mechanical factors influencing annealing twin development in nickel during recrystallization

Thermo-mechanical factors influencing annealing twin development in nickel during recrystallization

Inhibition effect on the evolution of a twist grain boundary for an Al/Ni bimetal interface under torsion

A taxonomy of grain boundary migration mechanisms via displacement texture characterization

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