“…As can be seen from Figure 8, in the nanoindentation process, when the indenter is closer to the twin boundary, the dislocation line length curve is shifted below the other curves, and the total length of the Shockley incomplete dislocations is smaller than that of the dislocations at other indentation locations. The reason is that when the indenter is closer to the twin boundary for nanoindentation, the twin boundary will absorb part of the dislocations, which makes the dislocation activity at the twin boundary and the indenter side decrease significantly, and the activity of incomplete dislocations also decreases, and the dislocation reaction decreases, and all kinds of stacking faults also decrease; in addition, when the indentation location is gradually moved away from the twin boundary, the trend of the dislocation curve is the same, and the influence of the twin boundary on the dislocation evolution of the indentation process decreases in turn, consistent with the situation described of [13]. Figure 8 Nanoindentation process L = 0 Å, L = 30 Å, L = 50 Å, L = 70 Å specimen shockley dislocation length curve.…”
Section: Resultssupporting
confidence: 85%
“…However, because nanostructure materials are difficult to prepare, traditional experimentation is also limited. As a result, molecular dynamics (MD) simulations offer an effective and useful tool to predict the mechanical properties of nanostructured materials at the atomic level, and MD simulations have been widely used for simulating tensile [4][5][6], compression [5][6][7][8] and nanoindentation [9][10][11][12][13] loads. Much effort has been made to investigate the effect of twin boundaries(TB) on the mechanical properties of materials such as Cu and diamond lattice structure, and the corresponding deformation mechanisms.…”
In this work, nanoindentation on a (110) crystal plane with a spherical indenter and (111) twin boundaries at different distances was simulated using molecular dynamics. In addition, the load–displacement curves and mechanical properties were calculated, and the deformation mechanism of the nickel matrix was analysed using a dislocation extraction algorithm (DXA). The results showed that the load decreased in the load–displacement curve, which was caused by the initial nucleation of the dislocations, and the twinning boundary hindered dislocation propagation. Furthermore, Young's modulus values near the twin boundary were lower than those farther away, and the maximum shear stress near the twin boundary was lower. Therefore, dislocation activity in the nickel matrix during indentation was mainly in the form of Shockley partial dislocations.
“…As can be seen from Figure 8, in the nanoindentation process, when the indenter is closer to the twin boundary, the dislocation line length curve is shifted below the other curves, and the total length of the Shockley incomplete dislocations is smaller than that of the dislocations at other indentation locations. The reason is that when the indenter is closer to the twin boundary for nanoindentation, the twin boundary will absorb part of the dislocations, which makes the dislocation activity at the twin boundary and the indenter side decrease significantly, and the activity of incomplete dislocations also decreases, and the dislocation reaction decreases, and all kinds of stacking faults also decrease; in addition, when the indentation location is gradually moved away from the twin boundary, the trend of the dislocation curve is the same, and the influence of the twin boundary on the dislocation evolution of the indentation process decreases in turn, consistent with the situation described of [13]. Figure 8 Nanoindentation process L = 0 Å, L = 30 Å, L = 50 Å, L = 70 Å specimen shockley dislocation length curve.…”
Section: Resultssupporting
confidence: 85%
“…However, because nanostructure materials are difficult to prepare, traditional experimentation is also limited. As a result, molecular dynamics (MD) simulations offer an effective and useful tool to predict the mechanical properties of nanostructured materials at the atomic level, and MD simulations have been widely used for simulating tensile [4][5][6], compression [5][6][7][8] and nanoindentation [9][10][11][12][13] loads. Much effort has been made to investigate the effect of twin boundaries(TB) on the mechanical properties of materials such as Cu and diamond lattice structure, and the corresponding deformation mechanisms.…”
In this work, nanoindentation on a (110) crystal plane with a spherical indenter and (111) twin boundaries at different distances was simulated using molecular dynamics. In addition, the load–displacement curves and mechanical properties were calculated, and the deformation mechanism of the nickel matrix was analysed using a dislocation extraction algorithm (DXA). The results showed that the load decreased in the load–displacement curve, which was caused by the initial nucleation of the dislocations, and the twinning boundary hindered dislocation propagation. Furthermore, Young's modulus values near the twin boundary were lower than those farther away, and the maximum shear stress near the twin boundary was lower. Therefore, dislocation activity in the nickel matrix during indentation was mainly in the form of Shockley partial dislocations.
Nickel‐based electrocatalysts are promising for industrial water electrolysis, but the dense hydroxyl oxide layer formed during the oxygen evolution reaction (OER) limits active sites accessibility and presents challenges in balancing structural stability with effective charge transfer. Based on this, an efficient in situ leaching strategy is proposed to construct grain boundary‐rich catalyst structure with high charge transfer ability and a deep catalytic active layer reached >200‐nm. Under OER conditions, stable sub‐nano Ni3Al particles are embedded in Ni(Fe)OOH, originating from leaching out the unstable Ni2Al3 phase of the initial Ni2Al3/Ni3Al alloy doped with Fe. The structural evolutions are characterized using in situ Raman spectroscopy, transmission electron microscopy, and X‐ray absorption spectroscopy. The catalyst exhibits exemplary performance, evidenced by a low overpotential of 212 mV at 10 mA cm−2, a minimal Tafel slope of 25.0 mV dec−1. The catalyst maintains stable for >500 h at 500 mA cm−2 under industrial conditions. Furthermore, its performance in seawater electrolysis is notably superior, exhibiting an overpotential of 223 mV at 10 mA cm−2 and a Tafel slope of 37.5 mV dec−1. The in situ high activity in the deep porous phase by leaching out unstable phases provides a new method for engineering high‐performance industrial catalysts.
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