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Abstract The mechanical and magnetic properties of polycrystalline nanoframes were investigated using atomistic molecular dynamics and micromagnetic simulations. The magneto-mechanical response of Fe hollow-like nanocubes was addressed by uniaxial compression carried out by nanoindentation. Our results show that the deformation of a nanoframe is dominated at lower strains by the compression of the nanostructure due to filament bending. This leads to the nanoframe twisting perpendicular to the indentation direction for larger indentation depths. Bending and twisting reduce stress concentration and, at the same time, increase coercivity. This unexpected increase of the coercivity occurs because the mechanical deformation changes the cubic shape of the nanoframe, which in turn drives the system to more stable magnetic states. A coercivity increase of almost 100 mT is found for strains close to 0.03, which are within the elastic regime of the Fe nanoframe. Coercivity then decreases at larger strains. However, in all cases, the coercivity is higher than for the undeformed nanoframe. These results can help in the design of new magnetic devices where mechanical deformation can be used as a primary tool to tailor the magnetic response on nanoscale solids.

Nanoporous materials show a promising combination of mechanical properties in terms of their relative density; while there are numerous studies based on metallic nanoporous materials, here we focus on amorphous carbon with a bicontinuous nanoporous structure as an alternative to control the mechanical properties for the function of filament composition.Using atomistic simulations, we study the mechanical response of nanoporous amorphous carbon with 50% porosity, with sp3 content ranging from 10% to 50%. Our results show an unusually high strength between 10 and 20 GPa as a function of the %sp3 content. We present an analytical analysis derived from the Gibson–Ashby model for porous solids, and from the He and Thorpe theory for covalent solids to describe Young’s modulus and yield strength scaling laws extremely well, revealing also that the high strength is mainly due to the presence of sp3 bonding. Alternatively, we also find two distinct fracture modes: for low %sp3 samples, we observe a ductile-type behavior, while high %sp3 leads to brittle-type behavior due to high high shear strain clusters driving the carbon bond breaking that finally promotes the filament fracture. All in all, nanoporous amorphous carbon with bicontinuous structure is presented as a lightweight material with a tunable elasto-plastic response in terms of porosity and sp3 bonding, resulting in a material with a broad range of possible combinations of mechanical properties.

Abstract In this work we have studied the elongation of silver nanoparticles irradiated with 40 MeV Bromine ions by means of in situ optical measurements, transmission electron microscopy and molecular dynamics simulations. The localized surface plasmon resonance of silver nanoparticles has a strong dependence on the particle shape and size, which allowed us to obtain the geometrical parameters with remarkable accuracy by means of a fit of the optical spectra. Optical results have been compared with transmission electron microscopy images and molecular dynamics simulations and the agreement is excellent in both cases. An important advantage of in situ measurements is that they yield an extremely detailed information of the full elongation kinetics. Final nanoparticle elongation depends on a complex competition between single-ion deformation, Ostwald ripening and dissolution. Building and validating theoretical models with the data reported in this work should be easier than with the information previously available, due to the unprecedented level of kinetic details obtained from the in situ measurements.