The tensile and shear failure behavior dependence on chain length and temperature in amorphous polymers

Junhua Zhao; Lixin Lu; Timon Rabczuk

doi:10.1016/j.commatsci.2014.03.071

The tensile and shear failure behavior dependence on chain length and temperature in amorphous polymers

Junhua Zhao^*, Lixin Lu, Timon Rabczuk

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

19 Citations (Scopus)

Abstract

The tensile and shear failure behavior dependence on chain length and temperature in amorphous polymers are scrutinized using molecular dynamics simulations. A wide range chain length of alkane is tested under tension and shear with various temperatures. We find that the broken rate (the broken bond number to all polymer chain number ratios) under tension and shear increases with increasing chain length and temperature. For a given chain length and temperature, the broken rates under shear are always higher than those under tension at a same large strain. For a given chain length, the tensile and shear stresses decrease with increasing temperature. We propose three typical fracture mechanisms to effectively elucidate the ductile fracture response based on the predominance of chain scission process.

Original language	English
Pages (from-to)	567-572
Number of pages	6
Journal	Computational Materials Science
Volume	96
Issue number	PB
DOIs	https://doi.org/10.1016/j.commatsci.2014.03.071
Publication status	Published - 2015 Jan

Bibliographical note

Funding Information:
We gratefully acknowledge support by the Germany Science Foundation and National Natural Science Foundation of China (Grant No. 11302084 ).

Publisher Copyright:
© 2014 Elsevier B.V.

Keywords

Chain length
Failure
Linear polymers
Molecular dynamics

ASJC Scopus subject areas

General Computer Science
General Chemistry
General Materials Science
Mechanics of Materials
General Physics and Astronomy
Computational Mathematics

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10.1016/j.commatsci.2014.03.071

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abstract = "The tensile and shear failure behavior dependence on chain length and temperature in amorphous polymers are scrutinized using molecular dynamics simulations. A wide range chain length of alkane is tested under tension and shear with various temperatures. We find that the broken rate (the broken bond number to all polymer chain number ratios) under tension and shear increases with increasing chain length and temperature. For a given chain length and temperature, the broken rates under shear are always higher than those under tension at a same large strain. For a given chain length, the tensile and shear stresses decrease with increasing temperature. We propose three typical fracture mechanisms to effectively elucidate the ductile fracture response based on the predominance of chain scission process.",

keywords = "Chain length, Failure, Linear polymers, Molecular dynamics",

author = "Junhua Zhao and Lixin Lu and Timon Rabczuk",

note = "Funding Information: We gratefully acknowledge support by the Germany Science Foundation and National Natural Science Foundation of China (Grant No. 11302084 ). Publisher Copyright: {\textcopyright} 2014 Elsevier B.V.",

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AU - Zhao, Junhua

AU - Lu, Lixin

AU - Rabczuk, Timon

N1 - Funding Information: We gratefully acknowledge support by the Germany Science Foundation and National Natural Science Foundation of China (Grant No. 11302084 ). Publisher Copyright: © 2014 Elsevier B.V.

PY - 2015/1

Y1 - 2015/1

N2 - The tensile and shear failure behavior dependence on chain length and temperature in amorphous polymers are scrutinized using molecular dynamics simulations. A wide range chain length of alkane is tested under tension and shear with various temperatures. We find that the broken rate (the broken bond number to all polymer chain number ratios) under tension and shear increases with increasing chain length and temperature. For a given chain length and temperature, the broken rates under shear are always higher than those under tension at a same large strain. For a given chain length, the tensile and shear stresses decrease with increasing temperature. We propose three typical fracture mechanisms to effectively elucidate the ductile fracture response based on the predominance of chain scission process.

AB - The tensile and shear failure behavior dependence on chain length and temperature in amorphous polymers are scrutinized using molecular dynamics simulations. A wide range chain length of alkane is tested under tension and shear with various temperatures. We find that the broken rate (the broken bond number to all polymer chain number ratios) under tension and shear increases with increasing chain length and temperature. For a given chain length and temperature, the broken rates under shear are always higher than those under tension at a same large strain. For a given chain length, the tensile and shear stresses decrease with increasing temperature. We propose three typical fracture mechanisms to effectively elucidate the ductile fracture response based on the predominance of chain scission process.

KW - Chain length

KW - Failure

KW - Linear polymers

KW - Molecular dynamics

UR - https://www.scopus.com/pages/publications/84908686911

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DO - 10.1016/j.commatsci.2014.03.071

M3 - Article

AN - SCOPUS:84908686911

SN - 0927-0256

VL - 96

SP - 567

EP - 572

JO - Computational Materials Science

JF - Computational Materials Science

IS - PB

ER -

The tensile and shear failure behavior dependence on chain length and temperature in amorphous polymers

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

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