Surface Ordering in Molecular Clusters by Interactions of Well-Defined Parity Multipoles.
- Cannavacciuolo L Department of Chemistry and Biochemistry, University of Bern, Bern 3012, Switzerland.
- Hulliger J Department of Chemistry and Biochemistry, University of Bern, Bern 3012, Switzerland.
- 2019-10-29
Published in:
- ACS omega. - 2019
English
The spontaneous alignment of dipoles in patterns tangential or transversal to the interface of molecular clusters is studied by molecular dynamics simulations throughout the entire aggregation process. Tangential ordering (TANGO) is found to rely on dispersion forces driven by dipolar fluctuations. Transversal ordering (TRANSO) results from the interplay of two conditions: the broken translational invariance at the cluster interface and the interactions of multipoles of opposite parity. In this case, the orientational order parameter at the interface follows a universal scaling law behavior. In the limiting case of strongly interacting particles, a sharp structural transition from a disordered into an ordered state is observed at a critical distance inside the cluster and at a critical magnitude of the dipole moment.
- Language
-
- English
- Open access status
- gold
- Identifiers
-
- DOI 10.1021/acsomega.9b02349
- PMID 31656923
- Persistent URL
- https://sonar.ch/global/documents/475
Statistics
Document views: 15
File downloads:
- Full-text: 0