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Phase transitions and thermodynamic properties of dense assemblies of truncated nanocubes and cuboctahedra
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). University of Gothenburg, Sweden.ORCID iD: 0000-0001-7419-8783
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).ORCID iD: 0000-0002-9390-5719
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).ORCID iD: 0000-0002-5702-0681
Number of Authors: 32012 (English)In: Nanoscale, ISSN 2040-3364, E-ISSN 2040-3372, Vol. 4, no 15, p. 4765-4771Article in journal (Refereed) Published
Abstract [en]

Inspired by recent advances on the self-assembly of non-spherical nanoparticles, Monte Carlo simulations of the packing and thermodynamic properties of truncated nanocubes and cuboctahedra have been performed. The ergodicity problem was overcome by a modified Wang-Landau entropic sampling algorithm and equilibrium structural and thermodynamic properties were computed over a wide density range for both non-interacting and interacting particles. We found a structural transition from a simple cubic to a rhombohedral order when the degree of truncation exceeds a value of 0.9.

Place, publisher, year, edition, pages
2012. Vol. 4, no 15, p. 4765-4771
National Category
Chemical Sciences Nano Technology Materials Engineering Physical Sciences
Identifiers
URN: urn:nbn:se:su:diva-162440DOI: 10.1039/c2nr30411bISI: 000306324000060PubMedID: 22751657OAI: oai:DiVA.org:su-162440DiVA, id: diva2:1267164
Available from: 2018-11-30 Created: 2018-11-30 Last updated: 2018-11-30Bibliographically approved

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Volkov, NikolaiLyubartsev, AlexanderBergström, Lennart
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