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F.-Z. Li, Z.-L. Lu, Z.-H. Yang, K. Qi

Surface interaction energy simulation of ceramic materials with epoxy resin (in English)

Polimery 2015, No 7-8, 468


DOI: dx.doi.org/10.14314/polimery.2015.468

Summary
Anew method to calculate the surface interaction energy of ceramic particles and epoxy resin network was investigated using the Material Studio software solution. Detailed simulations were performed with molecular dynamics (MD) method, using Amorphous Cell module, creating relatively simple surface models of polymer (epoxy resin) and ceramics (Al2O3, SiO2 and SiC). The surface models obtained were used to calculate properties and the surface interaction energy of the materials studied. The computed results are in good agreement with the experimental data, confirming the ability to employ the described simulation method in theoretical evaluation of interaction between various filler or reinforcing materials and the polymer matrix.
Keywords: epoxy resin, simulation, interaction energy, ceramic material
e-mail: lfz1010@sohu.com
F.-Z. Li, Z.-L. Lu, Z.-H. Yang, K. Qi (559.3 KB)
Surface interaction energy simulation of ceramic materials with epoxy resin