Deformation mechanisms and ductility enhancement in core-shell Cu@Ni nanoporous metals

Mechanism of coarsening and deformation behavior of nanoporous Cu with varying relative density

“…The structures used in this study are generated using the kinetic Monte Carlo (KMC) method [12]. Then, they are subjected to energy minimization, relaxation, and loading using the opensource MD package: large-scale atomic/molecular massively parallel simulator (LAMMPS) [36].…”

“…Thus, four bicontinuous and stable structures with relative densities of 0.23, 0.29, 0.34, and 0.39 have been constructed by carefully controlling the initial configuration, simulation temperature, as well as simulation time. The KMC method has been discussed in detail in our previous publication [12]. The resulting structure has feature sizes ranging from 3.25 nm to 3.75 nm.…”

“…The possibilities continue to grow daily, but we first aim to understand these structures in a more comprehensive capacity to accurately predict their mechanical behavior in a multitude of cases. To achieve this, NP structures of a range of metals, such as gold [4,6,7,8,9,10], aluminum [11], and even Cu@Ni core-shell structure [12,13,14,15], have been subjected to a magnitude of experimental and simulation-based testings, to map their mechanical properties and behaviors under different types of loading conditions. From these studies, it is revealed to us that unlike their counterparts in macroscale porous materials, morphological properties such as ligament size [16,17,18] and topological properties such as genus [19,20] have a significant impact on the mechanical properties of the structures.…”

A fully molecular dynamics-based method for modeling nanoporous gold

“…However, a prerequisite for such simulations is to have realistic models of NPG. These are usually generated using phase-field [8,9,13,14,15], Monte-Carlo [16,17,18,19] methods. Phasefield methods are based on numerically solving the Cahn-Hilliard equation to reproduce spinodal decomposition.…”

Molecular dynamics study of mechanical behavior of gold-silicon core-shell nanowires under cyclic loading

“…Other more complex composite nanostructures, such as nanoporous gold covered by a thin layer of hard oxide, have been shown to limit coarsening and to enhance the materials strength [10]. The latter effect has been recently investigated in coreshell Cu-Ni nanoporous metal by molecular dynamics simulation [11]. The improvement of the mechanical properties seems partly linked to the presence of many interfaces, as in Cu-Nb composite nano-architectured materials [5].…”