Nanoparticles :- Atomic-scale comprehension of structure and thermodynamic stability of metallic core–shell nanoparticles is important for viewpoints of both their synthesis and applications. Thermodynamic and structural properties of Al@Ni and Ni@Al core–shell nanoparticles are investigated at various temperatures by using molecular dynamics (MD) simulations within the interactions defined by the many-body embedded atom model (EAM). The sizes of Al@Ni core–shell nanoparticles and their pure counterparts are chosen as two different values of about 5 nm and 10 nm in this study. MD method is used to calculate the total energy, one-body particle density, radial distribution function, and heat capacity to estimate the melting temperatures of the core–shell systems considered in the present study. Our estimated melting temperatures of core–shell nanoparticles are also verified by doing common neighbor analysis (CNA). MD study shows that a distinct two-stage melting takes place during the heating of the Al@Ni core–shell nanoparticles, although their melting mechanism has started from surface into interior. It is reported that the width of the melting temperature of the core–shell nanoparticles is dependent not only on the bulk melting points of their pure metals but also on the ratio of the shell thickness and the core size of the nanoparticles.
we investigate the possibility of controlling the size of Au clusters (nanoparticles) in the novel Matrix Assembly Cluster Source (MACS), a solvent-free nanoparticle source with potential for scale-up to the gram level. The novelty of the MACS is the idea of making clusters by sputtering a pre-condensed matrix of metal atoms embedded in a condensed non-reactive gas, e.g., Ar. This concept, introduced in 2016, has already proved deposition rates several orders of magnitude higher than conventional cluster beam routes. Such scale-up in the cluster production rate is crucial for industrial research on nanocatalysis under realistic reaction condition. Here, we report a systematic study of how Au metal loading in the matrix affects the size distribution of clusters generated.