[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.
Disciplines :
Physique
Auteur, co-auteur :
MRAVLAK, Marko ; University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit
Kister, Thomas; INM – Leibniz Institute for New Materials
Kraus, Tobias; INM – Leibniz Institute for New Materials
SCHILLING, Tanja ; University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit
Co-auteurs externes :
yes
Langue du document :
Anglais
Titre :
Structure diagram of binary Lennard-Jones clusters
Date de publication/diffusion :
08 juillet 2016
Titre du périodique :
Journal of Chemical Physics
ISSN :
0021-9606
eISSN :
1089-7690
Maison d'édition :
American Institute of Physics, New York, Etats-Unis - New York
