A Study of Finite Size Effects and Periodic Boundary Conditions to Simulations of a Novel Theoretical Self-Consistent Mean-Field Approach

Journal article
(Original article)


Publication Details

Author(s): Yang G, Nilsson F, Schubert DW
Journal: Macromolecular Theory and Simulations
Publication year: 2019
ISSN: 1022-1344


Abstract

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.


FAU Authors / FAU Editors

Schubert, Dirk W. Prof. Dr.
Lehrstuhl für Werkstoffwissenschaften (Polymerwerkstoffe)
Yang, Guanda
Lehrstuhl für Werkstoffwissenschaften (Polymerwerkstoffe)


External institutions with authors

Royal Institute of Technology / Kungliga Tekniska Högskolan (KTH)


How to cite

APA:
Yang, G., Nilsson, F., & Schubert, D.W. (2019). A Study of Finite Size Effects and Periodic Boundary Conditions to Simulations of a Novel Theoretical Self-Consistent Mean-Field Approach. Macromolecular Theory and Simulations. https://dx.doi.org/10.1002/mats.201900023

MLA:
Yang, Guanda, Fritjof Nilsson, and Dirk W. Schubert. "A Study of Finite Size Effects and Periodic Boundary Conditions to Simulations of a Novel Theoretical Self-Consistent Mean-Field Approach." Macromolecular Theory and Simulations (2019).

BibTeX: 

Last updated on 2019-17-09 at 08:34