Universität zu Köln

Wittmann, Jan-Hubert and Strey, Reinhard (2015). Influencing the direct formation of 'Janus' particles in molecular dynamics simulations. Mol. Simul., 41 (10-12). S. 857 - 861. ABINGDON: TAYLOR & FRANCIS LTD. ISSN 1029-0435

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Abstract

The binary nucleation of phase-separated Lennard-Jones clusters was analysed under various system conditions using molecular dynamics simulations. The modified potential model provides a simple gateway to observe non-wetting behaviour and imitates the more complex interactions of non-miscible substances. Thus, not only the transition from ideally mixed clusters to so-called 'Janus' particles, but also the structural aspects and dynamic formation processes of nanoscopic droplets are directly observable from the gas phase. Various shapes and sizes of these inhomogeneous clusters have been found via simple tuning of system parameters. From this analysis, we gained further insight into the direct formation of 'Janus' particles from the gas phase.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Wittmann, Jan-Hubert UNSPECIFIED UNSPECIFIED UNSPECIFIED Strey, Reinhard UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-396465
DOI:	10.1080/08927022.2014.951640
Journal or Publication Title:	Mol. Simul.
Volume:	41
Number:	10-12
Page Range:	S. 857 - 861
Date:	2015
Publisher:	TAYLOR & FRANCIS LTD
Place of Publication:	ABINGDON
ISSN:	1029-0435
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language Chemistry, Physical; Physics, Atomic, Molecular & Chemical Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/39646