POLYMER MATERIAL SIMULATION METHOD

A computerized simulation method for evaluating dispersion of fillers in a high polymer material, the method comprises a step (S1) of defining a filler model comprising at least one particle, a step (S2) of defining a polymer model comprising a plurality of particles each having a first potential wi...

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Bibliographic Details
Main Authors UENO, Shinichi, BITO, Yasumasa, KISHIMOTO, Hiroyuki
Format Patent
LanguageEnglish
French
German
Published 06.11.2019
Subjects
INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS
PHYSICS
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Summary:A computerized simulation method for evaluating dispersion of fillers in a high polymer material, the method comprises a step (S1) of defining a filler model comprising at least one particle, a step (S2) of defining a polymer model comprising a plurality of particles each having a first potential with respect to the particle of the filler model, a step (S4) of performing a molecular dynamics calculation of the filler model and the polymer model placed in a predetermined virtual space on the computer, and a step (S5) of observing the dispersion of the filler model from data obtained in the molecular dynamics calculation. The polymer model further comprises at least one modified basal particle having a second potential with respect to the particle of the filler model, wherein the second potential differs from the first potential.
Bibliography:Application Number: EP20120850926