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

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
Schlagworte:
CALCULATING
COMPUTER SYSTEMS BASED ON SPECIFIC COMPUTATIONAL MODELS
COMPUTING
COUNTING
INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS
PHYSICS
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creator WANG LUJIA
ZHANG JIANWEN
AN MENGHAN
LIU JIAWEI
MA XIAOHUA
BAO DINGYU
description 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
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subjects CALCULATING
COMPUTER SYSTEMS BASED ON SPECIFIC COMPUTATIONAL MODELS
COMPUTING
COUNTING
INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS
PHYSICS
title Reactive force field simulation method for cracking mechanism of silicone rubber material in severe environment
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