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Recrystallization is one of the most important physical phenomena in condensed matter that has been utilized for materials processing for thousands of years in human history. It is generally believed that recrystallization is thermally activated and a minimum temperature must be achieved for the necessary atomic mechanisms to occur. Here, using atomistic simulations, we report a new mechanism of dynamic recrystallization that can operate at temperature as low as T = 10 K in metals during deformation. In contrast to previously proposed dislocation-based models, this mechanism relies on the generation of disclination quadrupoles, which are special defects that form during deformation when the grain boundary migration is restricted by structural defects such as triple junctions, cracks or obstacles. This mechanism offers an alternative explanation for the grain refinement in metals during severe plastic deformation at cryogenic temperature and may suggest a new method to tailor the microstructure in general crystalline materials.
To clarify the detailed atomistic mechanism of bulging, sub-grain rotation and twinning, a series of snapshots at intermediate steps between Fig. 1(b,c) are shown in Fig. 3. As shown in Fig. 3(a), at the onset of the sub-grain nucleation, Shockley partial dislocations nucleated in the area adjacent to the disclination quadrupole. It is important to emphasize that the dislocation nucleation did not start from the crack surface or GBs, which are the normal dislocation nucleation sites in crystalline metals during plastic deformation. On the contrary, the dislocations were nucleated from within the region surrounded by the disclination quadrupole, where the most significant rotation would be expected. Therefore, in contrast to previous models of SPD22 or DRX15,37,38 in which dislocation activities preceded the new sub-grain formation, the dislocations observed in Fig. 3 were the product rather than the cause of the atom rotation and the subsequent new grain formation. Although sometimes the dislocation-based model was also referred as LTDRX39, it is important to note that the characteristics of DRX consisting of bulging, sub-grain rotation and twinning was missing in these studies.
Furthermore, the corresponding shear stress-shear strain curve shown in Fig. 5 can be well understood by the different stages of SDGBM. As having been reported previously, the shear stress first monotonically increased with the shear strain until the stress became so high that the GB started to move, e.g., at 1.4% strain33. Once the GB started moving, a stick-slip behavior occurred, which is also consistent with previous studies33. When the GB reached the crack and was pinned, the SDGBM was hindered and the GB became bulged. This section can be seen from the monotonic increase in stress from ~7% strain until the new grain was formed at 13.3% strain. It is also worth noting that the stress increase during GB bulging was mostly accumulated near the crack region which facilitated the sub-grain formation.
In summary, a new mechanism of LTDRX was found based on molecular dynamics simulations in crystalline Cu during deformation. The mechanism relied on the generation of disclination quadrupoles by SDGBM with restrictions by TJs, cracks or foreign obstacles. The disclination quadrupoles can induce dramatic rotation of the atoms within them and ultimately the nucleation of new sub-grains. This mechanism was found to be general, i.e. insensitive to temperature and independent of the loading mode, which may contribute to the grain refinement in metals during SPD at cryogenic temperatures. The novel mechanism of disclination-induced LTDRX may be used to design new methods of tailoring the microstructure in general crystalline materials.
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