MOLECULAR SIMULATION STUDY ON THE CHANGE OF POLYMER STRUCTURE DURING YIELDING*

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MOLECULAR SIMULATION STUDY ON THE CHANGE OF POLYMER STRUCTURE DURING YIELDING*

Papers | Updated：2021-06-21

- MOLECULAR SIMULATION STUDY ON THE CHANGE OF POLYMER STRUCTURE DURING YIELDING*
- Vol. 19, Issue 5, Pages: 527-529(2001)
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- Published：20 October 2001
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MOLECULAR SIMULATION STUDY ON THE CHANGE OF POLYMER STRUCTURE DURING YIELDING*[J]. 2001, 19(5): 527-529.
DOI：

MOLECULAR SIMULATION STUDY ON THE CHANGE OF POLYMER STRUCTURE DURING YIELDING*[J]. 2001, 19(5): 527-529. DOI：

摘要

A better understanding of a recently raised argument on whether there occurs a structure change during yieldinghas been acquired by using molecular simulation. That is

when monitoring the displacements of all atoms before and afterthe yield

a structure transition does occur

which is the "atomic jump" that coordinates the amount of the atoms in thepolymer and makes a large step beyond～0.05 nm for all those atoms. Results indicate that the complex of polymer chain packing induces the multiple atomic jumps around the yield point.This explains why polymers have a broader yielding peak.

Abstract

A better understanding of a recently raised argument on whether there occurs a structure change during yieldinghas been acquired by using molecular simulation. That is

when monitoring the displacements of all atoms before and afterthe yield

a structure transition does occur

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