Abstract
In this paper, molecular dynamics simulation is conducted to study the relationship between the surface and dislocation of nanoporous copper under cyclic shear loading. The results show that the dislocation and the surface have both mutual promotion and competition relationship. On one hand, the surface becomes rough owing to reconstruction caused by cyclic shear, which promotes the dislocation activities, while the dislocation activities also accelerate the process of surface reconstruction. On the other hand, there is a competition between surface reconstruction and dislocation activities: in the early cycles, the dislocation density is low, and surface reconstruction dominates stress release; in the late cycles, the surface tends to be stable, and then, the dislocation activities dominate.
Highlights
Nanoporous metals (NPMs) have a series of excellent physical and chemical properties, such as ultra-high specific surface area (ζ), ultra-low density, and good chemical stability,1,2 and are widely applied in catalysis, actuation, sensing, and other fields.3–8 To better realize these applications, it is necessary to study the mechanical properties and deformation mechanisms of NPMs
Some questions remain unclear, e.g., how does the surface affect the dislocation activity? What effect do dislocations have on the surface? To answer these questions, this paper takes nanoporous copper (NPC) as the research object and adopts the method of molecular dynamics (MD) simulation to obtain the dynamic process of surface reconstruction and dislocation evolution of NPC under cyclic shear loading
The cyclic shear behavior of NPC is investigated by MD simulation, the relationship between the surface and dislocation during the cycling process is studied, and the effect of ζ is considered
Summary
Nanoporous metals (NPMs) have a series of excellent physical and chemical properties, such as ultra-high specific surface area (ζ), ultra-low density, and good chemical stability, and are widely applied in catalysis, actuation, sensing, and other fields. To better realize these applications, it is necessary to study the mechanical properties and deformation mechanisms of NPMs. Nanoporous metals (NPMs) have a series of excellent physical and chemical properties, such as ultra-high specific surface area (ζ), ultra-low density, and good chemical stability, and are widely applied in catalysis, actuation, sensing, and other fields.. Nanoporous metals (NPMs) have a series of excellent physical and chemical properties, such as ultra-high specific surface area (ζ), ultra-low density, and good chemical stability, and are widely applied in catalysis, actuation, sensing, and other fields.3–8 To better realize these applications, it is necessary to study the mechanical properties and deformation mechanisms of NPMs. Recently, dislocation has been found to play an important role in the deformation process of NPMs.. This paper takes nanoporous copper (NPC) as the research object and adopts the method of molecular dynamics (MD) simulation to obtain the dynamic process of surface reconstruction and dislocation evolution of NPC under cyclic shear loading. The interaction between the surface reconstruction and dislocation activity is studied, and the relationship between the surface and dislocation is revealed, which provides a new idea for the study of the deformation mechanism of NPMs
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