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High fidelity computational characterization of the mechanical response of thermally aged polycarbonate

Abstract:

A representative all-atom molecular dynamics (MD) system of polycarbonate (PC) is built and conditioned to capture and predict the behaviours of PC in response to a broad range of thermo-mechanical loadings for various thermal aging. The PC system is constructed to have a distribution of molecular weights comparable to a widely used commercial PC (LEXAN 9034), and thermally conditioned to produce models for aged and unaged PC. The MD responses of these models are evaluated through comparisons...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1088/1361-651X/aa7341

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Engineering Science
Role:
Author
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Name:
US Army Research Laboratory
Publisher:
Institute of Physics
Journal:
Modelling and Simulation in Materials Science and Engineering More from this journal
Volume:
25
Issue:
5
Pages:
055012
Publication date:
2017-06-01
Acceptance date:
2017-05-16
DOI:
EISSN:
1361-651X
ISSN:
0965-0393
Keywords:
Pubs id:
pubs:702645
UUID:
uuid:f84e23d8-55a6-4315-8612-57fa6af6cec5
Local pid:
pubs:702645
Source identifiers:
702645
Deposit date:
2017-08-01

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