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Formation of the smectic-B crystal from a simple monatomic liquid
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).ORCID iD: 0000-0003-0237-7250
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
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2013 (English)In: Physical Review E. Statistical, Nonlinear, and Soft Matter Physics, ISSN 1539-3755, E-ISSN 1550-2376, Vol. 88, no 6, 062502Article in journal (Refereed) Published
Abstract [en]

We report a molecular dynamics simulation demonstrating that the smectic-B crystalline phase (Cry-B), commonly observed in mesogenic systems of anisotropic molecules, can be formed by a system of identical particles interacting via a spherically symmetric potential. The Cry-B phase forms as a result of a first-order transition from an isotropic liquid phase upon isochoric cooling at appropriate number density. Its structure, determined by the design of the pair potential, corresponds to the Cry-B structure formed by elongated particles with the aspect ratio 1.8. The diffraction pattern and the real-space structure inspection demonstrate dominance of the ABC-type of axial layer stacking. This result opens a general possibility of producing smectic phases using isotropic interparticle interaction both in simulations and in colloidal systems.

Place, publisher, year, edition, pages
2013. Vol. 88, no 6, 062502
National Category
Physical Sciences
Research subject
Physical Chemistry
Identifiers
URN: urn:nbn:se:su:diva-99892DOI: 10.1103/PhysRevE.88.062502ISI: 000328605400003OAI: oai:DiVA.org:su-99892DiVA: diva2:690430
Funder
Swedish Research Council
Note

AuthorCount:5;

Available from: 2014-01-23 Created: 2014-01-20 Last updated: 2017-12-06Bibliographically approved
In thesis
1. On the nature of self-assembly in low-density condensed matter: A classical molecular dynamics approach
Open this publication in new window or tab >>On the nature of self-assembly in low-density condensed matter: A classical molecular dynamics approach
2015 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

The study of the physics of self-assembly in low-density condensed matter is an extremely interesting, mostly unexplored field of scientific research. The contribution reported in this thesis explains how this problem can be addressed using molecular dynamics simulation of 3D systems composed by simple, identical particles, interacting via a spherically symmetric pair potential, which belongs to the class of Dzugutov potentials. Such approach resulted in four, self-assembled archetypal structures, which are reported in the included papers I, II, III, IV. In order to produce the reported results, a major effort of software development has been done by the author, both in the simulation and the analysis programs used. This thesis will start with a brief introduction to the field, highlighting the important aspects needed to have a more complete, general understanding of the reported scientific results. Some conclusions will be drawn, together with some possible future endeavors.

Place, publisher, year, edition, pages
Stockholm: Department of Materials and Environmental Chemistry (MMK), Stockholm University, 2015. 96 p.
National Category
Condensed Matter Physics Physical Chemistry
Research subject
Physical Chemistry
Identifiers
urn:nbn:se:su:diva-115849 (URN)978-91-7649-149-2 (ISBN)
Public defence
2015-05-12, Magnélisalen, Kemiska övningslaboratoriet, Svante Arrhenius väg 16 B, Stockholm, 10:00 (English)
Opponent
Supervisors
Note

At the time of the doctoral defense, the following papers were unpublished and had a status as follows: Paper 3: Submitted. Paper 4: Submitted. Paper 5: Submitted.

Available from: 2015-04-20 Created: 2015-04-03 Last updated: 2015-04-23Bibliographically approved

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