The effect of heating rate on the sintering of aluminum nanospheres

Molecular dynamics simulations have been performed to study the influence of five different heating rates on the sintering of aluminum nanoparticles with a diameter of 4-10 nm, mainly by exploring the atomic migration, radial distribution function (RDF), atomic average displacement, mean square displacement (MSD), radius ratio (i.e., the ratio of the neck radius to the particle radius), shrinkage rate, radius of gyration, sintering temperature and melting point. It is found that the displacement of surface atoms is always larger than the displacement of the internal atoms at the same heating rate during the sintering process. Radius ratio and shrinkage go through three stages as the temperature increases: (1) an abrupt increase after reaching the sintering temperature; (2) an almost plateau region within a wide temperature range; (3) finally a drastic increase again after reaching the melting point. Although the radius of gyration also goes through three stages, nonetheless the trend is opposite to radius ratio and shrinkage. For aluminum nanoparticles with the same diameter, at a lower heating rate, the atomic displacement, mean square displacement, radius ratio, shrinkage, and radius of gyration change more remarkably with increasing temperature. The lower heating rate and smaller nanoparticle diameter correspond to a lower sintering temperature and melting point.

Automated summary

Molecular dynamics simulations were used to study the sintering of aluminum nanoparticles with different heating rates, revealing that lower rates and smaller particle diameters result in lower sintering temperatures and melting points, with some properties changing more significantly with temperature, and surface atomic displacement consistently larger than internal displacement.