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Coarse Graining of Crystalline Cellulose
Bio-inspired Crystalline Nano-Cellulose coarse graining toolkit
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Abstract
Cellulose is the most abundant bio-polymer in the world with outstanding mechanical and chemical properties. Understanding the interaction of cellulose nano-crystals at meso scale and its influence on the overall properties, could pave the way for better manufacturing of cellulose based materials. This tool is a Coarse-grained model of crystalline nano-cellulose based on both mechanical properties and crystalline-crystalline interactions. The developed coarse-grained model can be employed to study the interaction of long crystalline particles which are close to the size of the wood crystalline nano-cellulose reported in the literature. Two different bio-inspired structure is also provided by the tool (1) bouligand structure which is found in mantis shrimp and (2) staggered structure based on bone structure. The Mechanical test on these structures can provide useful information on their type of failure and the effect of length and arrangement of CNC on overall mechanical properties.
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Lammps 15May15
Credits
Prof. Pablo D. Zavattieri
Mehdi Shishehbor
Kuo Tian
Sponsored by
Purdue University SURF Program
Purdue College of Civil Engineering
References
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