Reference : Structure diagram of binary Lennard-Jones clusters
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
Physics and Materials Science
http://hdl.handle.net/10993/29329
Structure diagram of binary Lennard-Jones clusters
English
Mravlak, Marko mailto [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 mailto [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >]
8-Jul-2016
Journal of Chemical Physics
American Institute of Physics
145
024302
Yes (verified by ORBilu)
International
0021-9606
1089-7690
New York
NY
[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.
http://hdl.handle.net/10993/29329
10.1063/1.4954938

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