Abstract :
[en] We analyze the structure diagram for binary clusters of Lennard-Jones particles by means of a global
optimization approach for a large range of cluster sizes, compositions, and interaction energies and
present a publicly accessible database of 180 000 minimal energy structures (http://softmattertheory.
lu/clusters.html). We identify a variety of structures such as core-shell clusters, Janus clusters, and
clusters in which the minority species is located at the vertices of icosahedra. Such clusters can be
synthesized from nanoparticles in agglomeration experiments and used as building blocks in colloidal
molecules or crystals. We discuss the factors that determine the formation of clusters with specific
structures.
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