The Influence of Pore Size on the Indentation Behavior of Metallic Nanoporous Materials: A Molecular Dynamics Study

Abstract

In general, the influence of pore size is not considered when determining the Young’s modulus of nanoporous materials. Here, we demonstrate that the pore size needs to be taken into account to properly assess the mechanical properties of these materials. Molecular dynamics simulations of spherical indentation experiments on single crystalline nanoporous Cu have been undertaken in systems with: (i) a constant degree of porosity and variable pore diameter; and (ii) a constant pore diameter and variable porosity degree. The classical Gibson and Ashby expression relating Young’s modulus with the relative density of the nanoporous metal is modified to include the influence of the pore size. The simulations reveal that, for a fixed porosity degree, the mechanical behavior of materials with smaller pores differs more significantly from the behavior of the bulk, fully dense counterpart. This effect is ascribed to the increase of the overall surface area as the pore size is reduced, together with the reduced coordination number of the atoms located at the pores edges.

Understanding decay in marine calcifiers: Micro‐CT analysis of skeletal structures provides insight into the impacts of a changing climate in marine ecosystems

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The Chemistry of Reticular Framework Nanoparticles: MOF, ZIF, and COF Materials

“…For these systems, empirical many body potentials have been developed, [186] such as the Finnis-Sinclair potential. [187] Popular force field extensions for MOF nanoparticles include the extension for universal force field (UFF), [188] DREINDING, [189] Quick-FF, [190] and ab initio force fields like MOF-FF. [170e] MD simulations are a powerful tool that can handle large multiatom systems.…”

“…Simulations of MOF and ZIF nanoparticles require additionally modified potentials due to the fundamentally strong bonding. For these systems, empirical many body potentials have been developed,186 such as the Finnis–Sinclair potential 187. Popular force field extensions for MOF nanoparticles include the extension for universal force field (UFF),188 DREINDING,189 Quick‐FF,190 and ab initio force fields like MOF‐FF 170e…”

SiO2-PVA-Fe(acac)3 Hybrid Based Superparamagnetic Nanocomposites for Nanomedicine: Morpho-textural Evaluation and In Vitro Cytotoxicity Assay

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