Report on ASC project degradation of organic materials.

Technical Report · 01 September 2006

DOI:https://doi.org/10.2172/893971· OSTI ID:893971

Thompson, Aidan Patrick; Curro, John G; Rottach, Dana R ^[1]; Grest, Gary Stephen; Lo, Chi S; Budzien, Joanne L

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1. University of New Mexcio, Albuquerque, NM

Using molecular dynamics simulations, a constitutive model for the chemical aging of polymer networks was developed. This model incorporates the effects on the stress from the chemical crosslinks and the physical entanglements. The independent network hypothesis has been modified to account for the stress transfer between networks due to crosslinking and scission in strained states. This model was implemented in the finite element code Adagio and validated through comparison with experiment. Stress relaxation data was used to deduce crosslinking history and the resulting history was used to predict permanent set. The permanent set predictions agree quantitatively with experiment.

• Research Organization: Sandia National Laboratories (SNL), Albuquerque, NM, and Livermore, CA (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC04-94AL85000
• OSTI ID: 893971
• Report Number(s): SAND2006-5668; TRN: US200701%%62
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
AGING
POLYMERS
STRESS RELAXATION
MOLECULAR DYNAMICS METHOD
MATHEMATICAL MODELS
CROSS-LINKING
STRAINS
FINITE ELEMENT METHOD
Molecular dynamics-Computer simulation.
Crosslinking (Polymerization)-Technological innovations.
Molecular structure.
Organic compounds.