Molecular dynamics simulation of tensile deformation mechanisms in nanocrystalline TWIP steel

verfasst von: Ranran Zhang, Brahmanandam Javvaji, Haifei Zhan, Min Xia, Manchao He, Xiaolong Fu, Xiaoying Zhuang
Abstract: We perform tensile deformation studies on nanocrystalline twinning-induced plasticity (TWIP) steels using molecular dynamics (MD) simulations and observe significant volume changes during incremental deformation. The meta-atomic potential function is employed to define atomic interactions in TWIP steels. The nucleation and propagation of dislocations lead to a reduction in tensile stress, which is positively correlated with the average grain size. Tensile tests show that TWIP steels undergo a phase transformation during plastic deformation, primarily from the face-centred cubic (FCC) to the HCP phase. This transformation results in the formation of stacking faults (SFs) and twin boundaries (TBs). The slip of dislocations is intercepted by grain boundaries (GBs) and TBs, leading to stress concentration. When the stress reaches a critical threshold, cracks initiate and propagate at these weak points, causing volume expansion during plastic deformation. This volume change results from the interaction between the material's complex microstructure and the generation and progression of cracks. In contrast, nanocrystalline Cu exhibits nearly constant volume during the plastic deformation stage, attributed to the insufficient dislocation slip and phase transformations in Cu. Overall, the observed volume increase is specific to TWIP steels and contributes to their high ductility.
Organisationseinheit(en): Institut für Photonik
Externe Organisation(en): Zhejiang University (ZJU)
University of Science and Technology Beijing
Tongji University
Xi'an Modern Chemistry Research Institute
Typ: Artikel
Journal: Journal of Micromechanics and Molecular Physics
Band: 10
Seiten: 1-10
Anzahl der Seiten: 10
ISSN: 2424-9130
Publikationsdatum: 10.03.2025
Publikationsstatus: Veröffentlicht
Peer-reviewed: Ja
ASJC Scopus Sachgebiete: Keramische und Verbundwerkstoffe, Atom- und Molekularphysik sowie Optik, Werkstoffmechanik, Polymere und Kunststoffe
Elektronische Version(en): https://doi.org/10.1142/S2424913025500018 (Zugang: Geschlossen)
: Details im Forschungsportal „Research@Leibniz University“

BibTeX

@article{0d29935a09a646d7bef18a86bd8a5a58,
title = "Molecular dynamics simulation of tensile deformation mechanisms in nanocrystalline TWIP steel",
abstract = "We perform tensile deformation studies on nanocrystalline twinning-induced plasticity (TWIP) steels using molecular dynamics (MD) simulations and observe significant volume changes during incremental deformation. The meta-atomic potential function is employed to define atomic interactions in TWIP steels. The nucleation and propagation of dislocations lead to a reduction in tensile stress, which is positively correlated with the average grain size. Tensile tests show that TWIP steels undergo a phase transformation during plastic deformation, primarily from the face-centred cubic (FCC) to the HCP phase. This transformation results in the formation of stacking faults (SFs) and twin boundaries (TBs). The slip of dislocations is intercepted by grain boundaries (GBs) and TBs, leading to stress concentration. When the stress reaches a critical threshold, cracks initiate and propagate at these weak points, causing volume expansion during plastic deformation. This volume change results from the interaction between the material's complex microstructure and the generation and progression of cracks. In contrast, nanocrystalline Cu exhibits nearly constant volume during the plastic deformation stage, attributed to the insufficient dislocation slip and phase transformations in Cu. Overall, the observed volume increase is specific to TWIP steels and contributes to their high ductility.",
keywords = "crack, dislocation, stacking faults, twinning, TWIP steels",
author = "Ranran Zhang and Brahmanandam Javvaji and Haifei Zhan and Min Xia and Manchao He and Xiaolong Fu and Xiaoying Zhuang",
note = "Publisher Copyright: {\textcopyright} 2025 World Scientific Publishing Company.",
year = "2025",
month = mar,
day = "10",
doi = "10.1142/S2424913025500018",
language = "English",
volume = "10",
pages = "1--10",
journal = "Journal of Micromechanics and Molecular Physics",
issn = "2424-9130",
publisher = "World Scientific",
number = "1",
}

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