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Cited by 73Advanced Cellulose Research StudiesCalcium Carbonate Crystallization and InhibitionPolysaccharides and Plant Cell Walls

The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.

Dimensions of Biological Cellulose Nanocrystals Maximize Fracture Strength

Sinko, Robert, Mishra, Shawn, Ruiz, Luis, Brandis, Nick, Keten, Sinan·2014·ACS Macro Letters
DOI 10.1021/mz400471y
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Abstract

Cellulose nanocrystals (CNCs) exhibit outstanding mechanical properties exceeding that of Kevlar, serving as reinforcing domains in nature's toughest biological nanocomposites such as wood. To establish a molecular-level understanding of how CNCs develop high resistance to failure, here we present new analyses based on atomistic simulations on the fracture energy of Iβ CNCs. We show that the fracture energy depends on the crystal width, due to edge defects that significantly reduce the fracture energy of small crystals but have a negligible effect beyond a critical width. Additionally, collective effects of sheet stacking and stabilization by van der Waals interactions saturate at a critical crystal thickness that we predict with an analytical relationship based on a physical model. Remarkably, ideal dimensions optimizing fracture energy are found to be 4.8-5.6 nm in thickness (approximately 6-7 layers) and 6.2-7.3 nm in width (approximately 6-7 cellulose chains), which correspond to the common dimensions of CNCs found in nature. Our studies shed light on evolutionary principles that provide guidance toward high mechanical performance in natural and synthetic nanobiocomposites.

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  • Cellulose nanocrystals have a recorded strength of just over 4 GPa, below the limpet tooth strength in this work.

    “More recent work has used atomistic simulations to evaluate tensile mechanical properties of cellulose nanocrystals [30], with a recorded strength of just over 4 GPa still below the values of limpet tooth strength in this work.”

    From Extreme strength observed in limpet teeth (2015) · cites this paper as [30]

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Metadata

Authors
Sinko, R., Mishra, S., Ruiz, L., Brandis, N., & Keten, S.
Affiliations
  • Northwestern University (US)
  • Department of Civil and Environmental Engineering and Department of Mechanical Engineering, Northwestern University, 2145 Sheridan Road, Room A136, Evanston, Illinois 60208, United States
Corresponding author
Keten, Sinan
ORCID
Venue
ACS Macro Letters
Publisher
American Chemical Society (ACS)
Published
2013-12-27
Volume
3
Issue
1
Pages
64-69
ISSN
2161-1653 (ISSN-L)
DOI
10.1021/mz400471y
OpenAlex
W2319304423
Cited by
73
References
3
Citations by year
2026: 2 · 2025: 2 · 2024: 5 · 2023: 1 · 2022: 5 · 2021: 9 · 2020: 8 · 2019: 4 · 2018: 6 · 2017: 4 · 2016: 7 · 2015: 13 · 2014: 7
FWCI
3.43
Type
journal article
Language
en
Open access
closed
Locations
  • ACS Macro Letters (publishedVersion)
  • PubMed (publishedVersion)
Funders
  • National Science Foundation (1234305)
  • Army Research Office (W911NF-13-1-0241)
Topics
  • Physical Sciences › Materials Science › Biomaterials › Advanced Cellulose Research Studies
  • Physical Sciences › Materials Science › Biomaterials › Calcium Carbonate Crystallization and Inhibition
  • Life Sciences › Agricultural and Biological Sciences › Plant Science › Polysaccharides and Plant Cell Walls
Keywords
cellulose nanocrystals, fracture energy, edge defects, crystal thickness, van der Waals interactions, sheet stacking, nanocomposites, wood, mechanical reinforcement, atomistic simulation

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