A Multiscale Model for the Quasi-Static Thermo-Plastic Behavior of Highly Cross-Linked Glassy Polymers
- Authors
- Vu-Bac, N.; Bessa, M. A.; Rabczuk, Timon; Liu, Wing Kam
- Issue Date
- 22-9월-2015
- Publisher
- AMER CHEMICAL SOC
- Citation
- MACROMOLECULES, v.48, no.18, pp.6713 - 6723
- Indexed
- SCIE
SCOPUS
- Journal Title
- MACROMOLECULES
- Volume
- 48
- Number
- 18
- Start Page
- 6713
- End Page
- 6723
- URI
- https://scholar.korea.ac.kr/handle/2021.sw.korea/92447
- DOI
- 10.1021/acs.macromol.5b01236
- ISSN
- 0024-9297
- Abstract
- We present experimentally validated molecular dynamics predictions of the quasi-static yield and postyield behavior for a highly cross-linked epoxy polymer under general stress states and for different temperatures. In addition, a hierarchical multiscale model is presented where the nanoscale simulations obtained from molecular dynamics were homogenized to a continuum thermoplastic constitutive model for the epoxy that can be used to describe the macroscopic behavior of the material. Three major conclusions were achieved: (1) the yield surfaces generated from the nanoscale model for different temperatures agree well with the paraboloid yield criterion, supporting previous macroscopic experimental observations; (2) rescaling of the entire yield surfaces to the quasi-static case is possible by considering Argon's theoretical predictions for pure compression of the polymer at absolute zero temperature; (3) nanoscale simulations can be used for an experimentally free calibration of macroscopic continuum models, opening new avenues for the design of materials and structures through multiscale simulations that provide structure-property-performance relationships.
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