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Formation of a Columnar Liquid Crystal in a Simple One-Component System of Particles
Stockholms universitet, Naturvetenskapliga fakulteten, Institutionen för material- och miljökemi (MMK).ORCID-id: 0000-0003-0237-7250
Stockholms universitet, Naturvetenskapliga fakulteten, Institutionen för material- och miljökemi (MMK).ORCID-id: 0000-0003-1702-5645
2015 (Engelska)Ingår i: Soft Matter, ISSN 1744-683X, E-ISSN 1744-6848, Vol. 11, nr 23, s. 4606-4613Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

We report a molecular dynamics simulation demonstrating that a columnar liquid crystal, commonly formed by disc-shaped molecules, can be formed by identical particles interacting via a spherically symmetric potential. Upon isochoric cooling from a low-density isotropic liquid state the simulated system performed a weak first order phase transition which produced a liquid crystal phase composed of parallel particle columns arranged in a hexagonal pattern in the plane perpendicular to the column axis. The particles within columns formed a liquid structure and demonstrated a significant intracolumn diffusion. Further cooling resulted in another first-order transition whereby the column structure became periodically ordered in three dimensions transforming the liquid-crystal phase into a crystal. This result is the first observation of a liquid crystal formation in a simple one-component system of particles. Its conceptual significance is in that it demonstrated that liquid crystals that have so far only been produced in systems of anisometric molecules, can also be formed by mesoscopic soft-matter and colloidal systems of spherical particles with appropriately tuned interatomic potential.

Ort, förlag, år, upplaga, sidor
2015. Vol. 11, nr 23, s. 4606-4613
Nyckelord [en]
columnar phase, liquid crystal, soft matter, molecular dynamics
Nationell ämneskategori
Den kondenserade materiens fysik
Forskningsämne
fysikalisk kemi
Identifikatorer
URN: urn:nbn:se:su:diva-115847DOI: 10.1039/c5sm00570aISI: 000355735900007OAI: oai:DiVA.org:su-115847DiVA, id: diva2:800393
Tillgänglig från: 2015-04-03 Skapad: 2015-04-03 Senast uppdaterad: 2022-02-23Bibliografiskt granskad
Ingår i avhandling
1. On the nature of self-assembly in low-density condensed matter: A classical molecular dynamics approach
Öppna denna publikation i ny flik eller fönster >>On the nature of self-assembly in low-density condensed matter: A classical molecular dynamics approach
2015 (Engelska)Doktorsavhandling, sammanläggning (Övrigt vetenskapligt)
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.

Ort, förlag, år, upplaga, sidor
Stockholm: Department of Materials and Environmental Chemistry (MMK), Stockholm University, 2015. s. 96
Nationell ämneskategori
Den kondenserade materiens fysik Fysikalisk kemi
Forskningsämne
fysikalisk kemi
Identifikatorer
urn:nbn:se:su:diva-115849 (URN)978-91-7649-149-2 (ISBN)
Disputation
2015-05-12, Magnélisalen, Kemiska övningslaboratoriet, Svante Arrhenius väg 16 B, Stockholm, 10:00 (Engelska)
Opponent
Handledare
Anmärkning

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.

Tillgänglig från: 2015-04-20 Skapad: 2015-04-03 Senast uppdaterad: 2022-02-23Bibliografiskt granskad

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Förlagets fulltextarXiv:1406.7804

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Metere, AlfredoSarman, Sten

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Metere, AlfredoSarman, Sten
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Institutionen för material- och miljökemi (MMK)
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Soft Matter
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