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Investigation of Thermal Expansion of Polyimide/SiO2 Nanocomposites by Molecular Dynamics Simulations

✍ Scribed by Pavel V. Komarov; Yu-Tsung Chiu; Shih-Ming Chen; Peter Reineker

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
531 KB
Volume
19
Category
Article
ISSN
1022-1344

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✦ Synopsis

Abstract

In this paper, an atomistic model for PI/SiO~2~ hybrid nanocomposites was designed for the investigation of physical properties of this material on the base of molecular dynamics simulations. The thermal properties of a reference pure PI matrix in the temperature range of 300–650 K were first investigated. The results for the CTE and the glass transition temperature showed good agreement with the experimental data. Then, the thermal expansion of the model of PI/silica composite material with different SiO~2~ fractions was investigated at normal conditions. The CTE of the composite model decreases with the increase in the SiO~2~ content in agreement with experimental studies. The results show a threshold for the SiO~2~ loading beyond which the material model exhibits ultra‐low thermal expansion.

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