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Information × Registration Number 2113U001009, Article popup.category Стаття Title popup.author popup.publication 01-01-2013 popup.source_user Сумський державний університет popup.source http://essuir.sumdu.edu.ua/handle/123456789/30967 popup.publisher Сумський державний університет Description In this paper, the molecular dynamics method was used to calculate the physical and mechanical properties of the cross-linked epoxy polymer composed of diglycidyl ether of bisphenol-A (DGEBA) as resin and diethylenetriamine (DETA) as curing agent. Calculation of the properties was performed using the constant-strain (static) approach. A series of independent simulations were carried out based on four widely used force fields; COMPASS, PCFF, UFF and Dreiding. Proper comparisons between the results and also with experimental observations were made to find the most suitable force field for molecular dynamics simulation of polymer materials. When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/30967 popup.nrat_date 2025-03-24 Close