SIMULATION METHOD FOR HIGH POLYMER MATERIAL

A computerized simulation method for evaluating the dispersion of fillers in a high polymer material is disclosed. The method comprises: a simulation step in which, using filler models and polymer models placed in a predetermined virtual space, a molecular dynamics calculation is performed; and an e...

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Bibliographic Details
Main Author UENO SHINICHI
Format Patent
LanguageEnglish
Published 21.11.2013
Subjects
CALCULATING
CHEMISTRY
COMPOSITIONS BASED THEREON
COMPOSITIONS OF MACROMOLECULAR COMPOUNDS
COMPUTING
COUNTING
ELECTRIC DIGITAL DATA PROCESSING
INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS
INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIRCHEMICAL OR PHYSICAL PROPERTIES
MEASURING
METALLURGY
ORGANIC MACROMOLECULAR COMPOUNDS
PHYSICS
TESTING
THEIR PREPARATION OR CHEMICAL WORKING-UP
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Summary:A computerized simulation method for evaluating the dispersion of fillers in a high polymer material is disclosed. The method comprises: a simulation step in which, using filler models and polymer models placed in a predetermined virtual space, a molecular dynamics calculation is performed; and an evaluation step in which, from results of the simulation step, the dispersion of the filler models is evaluated. The evaluation step includes a step of computing a mean-square displacement of most influential particles for which a cutoff distance largest in the filler particle is defined. Thereby, the dispersion can be evaluated certainly at short times.
Bibliography:Application Number: US201313859035