Reactive force field simulation method for cracking mechanism of silicone rubber material in severe environment

The invention relates to a reaction force field simulation method for a cracking mechanism of a silicone rubber material in a severe environment, and the method comprises the following steps: S1, constructing a silicone rubber molecular model, and carrying out the energy minimization calculation and...

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Hauptverfasser: WANG LUJIA, ZHANG JIANWEN, AN MENGHAN, LIU JIAWEI, MA XIAOHUA, BAO DINGYU
Format: Patent
Sprache:chi ; eng
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Beschreibung
Zusammenfassung:The invention relates to a reaction force field simulation method for a cracking mechanism of a silicone rubber material in a severe environment, and the method comprises the following steps: S1, constructing a silicone rubber molecular model, and carrying out the energy minimization calculation and structure optimization of the model; s2, selecting a reaction force field which comprises all element types of the silicone rubber system, and optimizing force field file parameters; s3, compiling an in file, including defining a reaction initialization system, importing a model and a reaction force field, setting calculation parameters according to actual working conditions, and performing silicon rubber cracking reaction force field simulation; s4, outputting a cracking calculation result, judging that the material is completely cracked based on a microscopic index, and analyzing the cracking process of the silicone rubber material; and S5, tracking a main product generation process based on an element label tra