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 | |
| Publication status | Published - 2015 Jan 1 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Materials Science(all)
- Chemistry(all)
- Computer Science(all)
- Physics and Astronomy(all)
- Computational Mathematics
- Mechanics of Materials
Cite this
The tensile and shear failure behavior dependence on chain length and temperature in amorphous polymers. / Zhao, Junhua; Lu, Lixin; Rabczuk, Timon.
In: Computational Materials Science, Vol. 96, No. PB, 01.01.2015, p. 567-572.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - The tensile and shear failure behavior dependence on chain length and temperature in amorphous polymers
AU - Zhao, Junhua
AU - Lu, Lixin
AU - Rabczuk, Timon
PY - 2015/1/1
Y1 - 2015/1/1
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 - http://www.scopus.com/inward/record.url?scp=84908686911&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84908686911&partnerID=8YFLogxK
U2 - 10.1016/j.commatsci.2014.03.071
DO - 10.1016/j.commatsci.2014.03.071
M3 - Article
AN - SCOPUS:84908686911
VL - 96
SP - 567
EP - 572
JO - Computational Materials Science
JF - Computational Materials Science
SN - 0927-0256
IS - PB
ER -