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A Study of Finite Size Effects and Periodic Boundary Conditions to Simulations of a Novel Theoretical Self-Consistent Mean-Field Approach
Friedrich Alexander Univ Erlangen Nuremberg, Inst Polymer Mat, Martensstr 7, D-91058 Erlangen, Germany.
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Fibre- and Polymer Technology.
2019 (English)In: Macromolecular Theory and Simulations, ISSN 1022-1344, E-ISSN 1521-3919, article id 1900023Article in journal (Refereed) Published
Abstract [en]

In a previous work, a very promising mathematical model for predicting the electrical conductivity below the electrical percolation threshold, for both isotropic and anisotropic composites, was published by Schubert. In this work, periodic boundary condition of the simulation is utilized. The results are also compared to the previous work and other theoretical models. The truncated fibers due to finite size of the simulation volume are considered as two individual pieces so that the real aspect ratios will also be taken into consideration. A comparison is made between two groups, in which the length and the radius of the carbon fibers are changed, respectively, under certain aspect ratios. With three different sizes of the simulation volumes, the influence on the results due to the finite size effect is calculated.

Place, publisher, year, edition, pages
Wiley-VCH Verlagsgesellschaft, 2019. article id 1900023
Keywords [en]
conductivity, finite size effect, simulation
National Category
Other Engineering and Technologies
Identifiers
URN: urn:nbn:se:kth:diva-255743DOI: 10.1002/mats.201900023ISI: 000477285900001Scopus ID: 2-s2.0-85069884915OAI: oai:DiVA.org:kth-255743DiVA, id: diva2:1342391
Note

QC 20190813

Available from: 2019-08-13 Created: 2019-08-13 Last updated: 2019-10-04Bibliographically approved

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Nilsson, Fritjof

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