Simulation method for high polymer material
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United States of America Patent
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Oct 25, 2016
Grant Date -
Nov 21, 2013
app pub date -
Apr 9, 2013
filing date -
May 16, 2012
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Abstract
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.
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