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1.
J Mol Model ; 29(6): 173, 2023 May 10.
Artículo en Inglés | MEDLINE | ID: mdl-37162592

RESUMEN

CONTEXT: Nanoporous metals (NPMs) have a three-dimensional bicontinuous porous network structure that consists of interconnected nanoligaments. NPMs have the potential to effectively attenuate and dissipate the effects of impacts and blasts. Previous studies do not provide data on the possible effects of porosity at the nanoscale. METHODS: Molecular dynamics simulations based on the embedded-atom method potential were performed using the open-source code LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator). RESULTS: Nanoporous gold (NPG) absorbs shock energy first through the elastic-plastic deformation of ligaments and then through the collapse of ligaments. After the shock loading is relaxed, NPG with lower porosity has a higher amount of springback, and new voids tend to nucleate and grow at collapsed ligaments where the packing is looser. NPG with higher porosity has a better ability to resist the propagation of a shock wave and is subjected to a smaller stress effect.

2.
J Mol Model ; 26(7): 185, 2020 Jun 30.
Artículo en Inglés | MEDLINE | ID: mdl-32607665

RESUMEN

The effect of pore size on the deformation mechanism and mechanical properties of nanoporous Ni under tension and compression tests is studied using molecular dynamic simulations in terms of atomic trajectories, dislocation extraction algorithm, and the stress-strain curve. The simulation results show that samples have a longer elastic deformation period during tension compared to that during compression. Dislocations nucleate at pore surfaces and propagate until they are terminated by neighboring pores. Samples under tension have lower ultimate stress and higher strain at ultimate stress compared to those of samples under compression. Samples with smaller pore diameter have more transformation from face-centered cubic to hexagonal close-packed structures due to more dislocation activity. The ultimate stress of samples significantly decreases with increasing pore diameter.

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