Steered Pull Simulation to Determine Nanomechanical Properties of Cellulose Nanofiber
Abstract
:1. Introduction
2. Computational Methodology
2.1. Simulation Model of Cellulose Nanofiber (CNF)
2.2. Simulation Description
3. Results and Discussion
3.1. CNF Structure after Simulation
3.2. Strain Response
3.3. Disparity of Hydrogen Bonds
3.4. Donor-Acceptor Distance
3.5. Dihedral Distribution
3.6. Mechanical Properties
4. Conclusions
Author Contributions
Funding
Conflicts of Interest
References
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Muthoka, R.M.; Kim, H.C.; Kim, J.W.; Zhai, L.; Panicker, P.S.; Kim, J. Steered Pull Simulation to Determine Nanomechanical Properties of Cellulose Nanofiber. Materials 2020, 13, 710. https://doi.org/10.3390/ma13030710
Muthoka RM, Kim HC, Kim JW, Zhai L, Panicker PS, Kim J. Steered Pull Simulation to Determine Nanomechanical Properties of Cellulose Nanofiber. Materials. 2020; 13(3):710. https://doi.org/10.3390/ma13030710
Chicago/Turabian StyleMuthoka, Ruth M., Hyun Chan Kim, Jung Woong Kim, Lindong Zhai, Pooja S. Panicker, and Jaehwan Kim. 2020. "Steered Pull Simulation to Determine Nanomechanical Properties of Cellulose Nanofiber" Materials 13, no. 3: 710. https://doi.org/10.3390/ma13030710