Article (Scientific journals)
Structure diagram of binary Lennard-Jones clusters
Mravlak, Marko; Kister, Thomas; Kraus, Tobias et al.
2016In Journal of Chemical Physics, 145 (024302)
Peer Reviewed verified by ORBi
 

Files


Full Text
MravlakKisterKrausSchillingJCP2016.pdf
Publisher postprint (3.69 MB)
Download

All documents in ORBilu are protected by a user license.

Send to



Details



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.
Disciplines :
Physics
Author, co-author :
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
External co-authors :
yes
Language :
English
Title :
Structure diagram of binary Lennard-Jones clusters
Publication date :
08 July 2016
Journal title :
Journal of Chemical Physics
ISSN :
1089-7690
Publisher :
American Institute of Physics, New York, United States - New York
Volume :
145
Issue :
024302
Peer reviewed :
Peer Reviewed verified by ORBi
Focus Area :
Physics and Materials Science
Available on ORBilu :
since 11 January 2017

Statistics


Number of views
75 (6 by Unilu)
Number of downloads
162 (2 by Unilu)

Scopus citations®
 
7
Scopus citations®
without self-citations
6
OpenCitations
 
5
WoS citations
 
7

Bibliography


Similar publications



Contact ORBilu