scholarly journals Atomistic Study of Interactions between Intrinsic Kink Defects and Dislocations in Twin Boundaries of Nanotwinned Copper during Nanoindentation

Nanomaterials ◽  
2020 ◽  
Vol 10 (2) ◽  
pp. 221 ◽  
Author(s):  
Xiaowen Hu ◽  
Yushan Ni ◽  
Zhongli Zhang

In order to study the effects of kink-like defects in twin boundaries on deformation mechanisms and interaction between dislocations and defects in twin boundaries under localized load, nanotwinned Cu with two defective twin (TDT) boundaries is compared with the nanotwinned Cu with two perfect twin (TPT) boundaries, and nanotwinned Cu with single defective twin (SDT) boundary and single perfect twin boundary by simulating spherical nanoindentations using molecular mechanics. The indenter force-depth and hardness-contact strain responses were analyzed. Results show that the existence of intrinsic defects in twin boundary could reduce the critical load and critical hardness of nanotwinned material. A quantitative parameter was first proposed to evaluate the degree of surface atom accumulation around the indenter during nanoindentation, and it can be inferred that the surface morphology in TDT changes more frequently than the surface morphologies in TPT and SDT. The atomistic configurations of incipient plastic structures of three different models were also analyzed. We found that the intrinsic defects in twin boundary will affect the incipient plastic structures. The formation of twinning partial slip on the defective twin boundary happens before the contact of the dislocation and twin boundary. The kink-like defects could introduce Frank partial dislocation to the twin boundary during interaction between dislocation and twin boundary, which was not detected on the perfect twin boundary. In addition, the area of twinning partial slips on the upper twin boundary in the incipient plastic structures in SDT and TDT are larger than the twinning partial slip area in TPT, which results in the reduction of the critical hardness in SDT and TDT. The kink-like defects could also block the expansion of twinning partial slip on the twin boundary. Furthermore, we investigated the dislocation transmission processes in three different models. It is found that the dislocation transmission event could be delayed in model containing single defective twin boundary, while the transmission process could be advanced in model containing two consecutive defective twin boundaries. The quantitative analysis of dislocation length was also implemented. Result shows that the main emitted dislocation during nanoindentation is Shockley partial, and the dislocation nucleation in SDT and TDT is earlier than the dislocation nucleation in TPT due to the existence of defects. It is inferred that the intrinsic defects on twin boundaries could enhance the interaction between dislocations and twin boundaries, and could strongly change the structure evolution and promote the dislocation nucleation and emission. These findings about kink-like defects in twin boundaries show that the inherent kink-like defects play a crucial role in the deformation mechanisms and it should be taken into consideration in future investigations. Single defective twin boundary structure is recommended to delay the transmission and block the expansion of twin boundary migration. Some of the results are in good agreement with experiments.

Materials ◽  
2019 ◽  
Vol 12 (19) ◽  
pp. 3129
Author(s):  
Shichao Song ◽  
Yu Wang ◽  
Yang Wang ◽  
Xi Wang

In this paper, the { 10 1 ¯ 2 } twinning and detwinning was studied by molecular dynamics simulation under different shear directions and strain rates. The results showed that the twin was thickened under [ 1 ¯ 011 ] shear direction and shrunken with shearing in the opposite direction. The critical resolved shear stress of { 10 1 ¯ 2 } twin boundary migration increased with the increase of the strain rate. By analyzing the atom’s displacement, it was concluded that the { 10 1 ¯ 2 } twin migration was achieved by both the shear and the atomic shuffling. Every atom would be affected by the shear, and different shear directions would cause opposite move directions, which led to twinning or detwinning. The atom shuffling was only used for adjusting the glide twin boundary and mirror-symmetric twin boundary structure evolution.


2018 ◽  
Vol 55 (1) ◽  
pp. 21-25 ◽  
Author(s):  
N.V. Skiba

Abstract Stress-driven grain boundary (GB) migration in ultrafine-grained materials with nanotwinned structure is theoretically described. In the framework of the theoretical model, the stress-driven high-angle GB migration is accompanied by migration of twin boundaries which adjoin this GB. Energetic characteristics and critical stresses of the GB migration accompanied by the twin boundary migration are calculated.


Nanomaterials ◽  
2018 ◽  
Vol 8 (9) ◽  
pp. 695 ◽  
Author(s):  
Yuan Liu ◽  
Yanfeng Duan ◽  
Junjie Zhang

Nanotwinned metals exhibit superior mechanical properties due to unique dislocation–twin boundary interactions. In the present work, we elucidate the microscopic deformation mechanisms and their correlations with the macroscopic mechanical response of nanotwinned Al containing inclined twin boundaries under nanoindentation by means of molecular dynamics simulations. The effect of twin boundary orientation with respect to the indented surface on the nanoindentation is evaluated. Simulation results reveal that dislocation slip, dislocation–twin boundary interaction, and twin boundary migration operate in parallel in the plastic deformation of nanotwinned Al. The inclination angle of twin boundaries with respect to indented surface has a strong influence on the interaction between individual deformation modes, which in turn leads to the anisotropic indentation behavior of nanotwinned Al.


Author(s):  
Yimei Zhu ◽  
Masaki Suenaga ◽  
R. L. Sabatini ◽  
Youwen Xu

The (110) twin structure of YBa2Cu3O7 superconductor oxide, which is formed to reduce the strain energy of the tetragonal to orthorhombic phase transformation by alternating the a-b crystallographic axis across the boundary, was extensively investigated. Up to now the structure of the twin boundary still remained unclear. In order to gain insight into the nature of the twin boundary in Y-Ba-Cu-O system, a study using electron diffraction techniques including optical and computed diffractograms, as well as high resolution structure imaging techniques with corresponding computer simulation and processing was initiated.Bulk samples of Y-Ba-Cu-O oxide were prepared as described elsewhere. TEM specimens were produced by crushing bulk samples into a fine powder, dispersing the powder in acetone, and suspending the fine particles on a holey carbon grid. The electron microscopy during this study was performed on both a JEOL 2000EX and 2000FX electron microscopes operated at 200 kV.


2010 ◽  
Vol 160 ◽  
pp. 313-318 ◽  
Author(s):  
Uceu Suhuddin ◽  
Sergey Mironov ◽  
H. Takahashi ◽  
Yutaka S. Sato ◽  
Hiroyuki Kokawa ◽  
...  

The “stop-action” technique was employed to study grain structure evolution during friction-stir welding of AZ31 magnesium alloy. The grain structure formation was found to be mainly governed by the combination of the continuous and discontinuous recrystallization but also involved geometric effect of strain and local grain boundary migration. Orientation measurements showed that the deformation mode was very close to the simple shear associated with the rotating pin and material flow arose mainly from basal slip.


2018 ◽  
Vol 204 ◽  
pp. 04014
Author(s):  
Muchammad ◽  
Bambang Yunianto ◽  
Mohammad Tauviqirrahman ◽  
Widhi Ahmad Wicaksono ◽  
Jamari

Slip modification of the lubricated bearing such hydrophobic coating has proven to improve the hydrodynamic performance. The present paper investigates the effect of partial slip on the journal bearing performance using computational fluid dynamic (CFD) approach. The eccentricity ratio and the placement of slip area are of particular interest. It was shown that the partial slip placement on the convergent region of the bearing generally improves the hydrodynamic performance lubrication by increasing load support. It was also found that introducing partial slip on the divergent area decreases the lubrication performance of journal bearing.


2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Jérôme Carnis ◽  
Aseem Rajan Kshirsagar ◽  
Longfei Wu ◽  
Maxime Dupraz ◽  
Stéphane Labat ◽  
...  

AbstractAt the nanoscale, elastic strain and crystal defects largely influence the properties and functionalities of materials. The ability to predict the structural evolution of catalytic nanocrystals during the reaction is of primary importance for catalyst design. However, to date, imaging and characterising the structure of defects inside a nanocrystal in three-dimensions and in situ during reaction has remained a challenge. We report here an unusual twin boundary migration process in a single platinum nanoparticle during CO oxidation using Bragg coherent diffraction imaging as the characterisation tool. Density functional theory calculations show that twin migration can be correlated with the relative change in the interfacial energies of the free surfaces exposed to CO. The x-ray technique also reveals particle reshaping during the reaction. In situ and non-invasive structural characterisation of defects during reaction opens new avenues for understanding defect behaviour in confined crystals and paves the way for strain and defect engineering.


Materialia ◽  
2018 ◽  
Vol 2 ◽  
pp. 208-213 ◽  
Author(s):  
Xiao-Zhi Tang ◽  
Qun Zu ◽  
Ya-Fang Guo

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