Optimizing the mechanical properties of cellulose nanopaper through surface energy and critical length scale considerations

Cellulose

Volumn 24, Issue 8, 2017, Pages 3289-3299

  Qin, Xin ^a   Feng, Shizhe ^a   Meng, Zhaoxu ^a   Keten, Sinan ^a  

^a Northwestern University   (United States)

Author keywords

Cellulose nanocrystals; Coarse grained molecular dynamics; Nanopaper; Overlap length; Strength and toughness

Indexed keywords

CELLULOSE; INTERFACIAL ENERGY; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS; NANOCRYSTALS; STRAIN ENERGY;

CELLULOSE NANO-CRYSTALS; COARSE-GRAINED MOLECULAR DYNAMICS; NANOPAPER; OVERLAP LENGTH; STRENGTH AND TOUGHNESS;

CELLULOSE DERIVATIVES;

CELLULOSE; FAILURE; TOUGHNESS;

EID: 85020542224     PISSN: 09690239     EISSN: 1572882X     Source Type: Journal    
DOI: 10.1007/s10570-017-1367-x     Document Type: Article

References (62)

1. Bras J, Viet D, Bruzzese C, Dufresne A (2011) Correlation between stiffness of sheets prepared from cellulose whiskers and nanoparticles dimensions. Carbohydr Polym 84:211–215. doi:10.1016/j.carbpol.2010.11.022
2. Brooks BR et al (2009) CHARMM: the biomolecular simulation program. J Comput Chem 30:1545–1614. doi:10.1002/jcc.21287
3. Buehler MJ (2006) Mesoscale modeling of mechanics of carbon nanotubes: self-assembly, self-folding, and fracture. J Mater Res 21:2855–2869
4. Cao C, Daly M, Chen B, Howe JY, Singh CV, Filleter T, Sun Y (2015) Strengthening in graphene oxide nanosheets: bridging the gap between interplanar and intraplanar fracture. Nano Lett 15:6528–6534. doi:10.1021/acs.nanolett.5b02173
5. Capadona JR, Shanmuganathan K, Tyler DJ, Rowan SJ, Weder C (2008) Stimuli-responsive polymer nanocomposites inspired by the sea cucumber dermis. Science 319:1370–1374. doi:10.1126/science.1153307
6. Cranford SW, Buehler MJ (2010) In silico assembly and nanomechanical characterization of carbon nanotube buckypaper. Nanotechnology 21:265706. doi:10.1088/0957-4484/21/26/265706
7. D’Elia E, Eslava S, Miranda M, Georgiou TK, Saiz E (2016) Autonomous self-healing structural composites with bio-inspired design. Sci Rep 6:25059. doi:10.1038/srep25059
8. Diddens I, Murphy B, Krisch M, Müller M (2008) Anisotropic elastic properties of cellulose measured using inelastic x-ray scattering. Macromolecules 41:9755–9759. doi:10.1021/ma801796u
9. Dong H et al (2015) Highly transparent and toughened poly(methyl methacrylate) nanocomposite films containing networks of cellulose nanofibrils. ACS Appl Mater Interfaces 7:25464–25472. doi:10.1021/acsami.5b08317
10. Dumanli AG, van der Kooij HM, Kamita G, Reisner E, Baumberg JJ, Steiner U, Vignolini S (2014) Digital color in cellulose nanocrystal films. ACS Appl Mater Interfaces 6:12302–12306. doi:10.1021/am501995e
11. Eichhorn SJ (2011) Cellulose nanowhiskers: promising materials for advanced applications. Soft Matter 7:303–315. doi:10.1039/C0SM00142B
12. Elazzouzi-Hafraoui S, Nishiyama Y, Putaux J-L, Heux L, Dubreuil F, Rochas C (2008) The shape and size distribution of crystalline nanoparticles prepared by acid hydrolysis of native cellulose. Biomacromolecules 9:57–65. doi:10.1021/bm700769p
13. Fox DM et al (2016) Simultaneously tailoring surface energies and thermal stabilities of cellulose nanocrystals using ion exchange: effects on polymer composite properties for transportation infrastructure, and renewable energy applications. ACS Appl Mater Interfaces 8:27270–27281. doi:10.1021/acsami.6b06083
14. Fratzl P (2007) Biomimetic materials research: what can we really learn from nature’s structural materials? J R Soc Interface 4:637–642. doi:10.1098/rsif.2007.0218
15. Gao H, Ji B, Jäger IL, Arzt E, Fratzl P (2003) Materials become insensitive to flaws at nanoscale: lessons from nature. Proc Natl Acad Sci 100:5597–5600. doi:10.1073/pnas.0631609100
16. Habibi Y, Lucia LA, Rojas OJ (2010) Cellulose nanocrystals: chemistry, self-assembly, and applications. Chem Rev 110:3479–3500
17. Henriksson M, Berglund LA, Isaksson P, Lindström T, Nishino T (2008) Cellulose nanopaper structures of high toughness. Biomacromolecules 9:1579–1585. doi:10.1021/bm800038n
18. Hsu DD, Xia W, Arturo SG, Keten S (2014) Systematic method for thermomechanically consistent coarse-graining: a universal model for methacrylate-based polymers. J Chem Theory Comput 10:2514–2527. doi:10.1021/ct500080h
19. Huang P, Zhao Y, Kuga S, Wu M, Huang Y (2016) A versatile method for producing functionalized cellulose nanofibers and their application. Nanoscale 8:3753–3759. doi:10.1039/C5NR08179C
20. Humphrey W, Dalke A, Schulten K (1996) VMD: visual molecular dynamics. J Mol Graph 14:33–38. doi:10.1016/0263-7855(96)00018-5
21. Isogai A (2013) Wood nanocelluloses: fundamentals and applications as new bio-based nanomaterials. J Wood Sci 59:449–459. doi:10.1007/s10086-013-1365-z
22. Kelly JA, Giese M, Shopsowitz KE, Hamad WY, MacLachlan MJ (2014) The development of chiral nematic mesoporous materials. Acc Chem Res 47:1088–1096. doi:10.1021/ar400243m
23. Kulasinski K, Guyer R, Keten S, Derome D, Carmeliet J (2015) Impact of moisture adsorption on structure and physical properties of amorphous biopolymers. Macromolecules. doi:10.1021/acs.macromol.5b00248
24. Lagerwall JPF, Schutz C, Salajkova M, Noh J, Hyun Park J, Scalia G, Bergstrom L (2014) Cellulose nanocrystal-based materials: from liquid crystal self-assembly and glass formation to multifunctional thin films. NPG Asia Mater 6:e80. doi:10.1038/am.2013.69
25. Li Y, Kröger M (2012) A theoretical evaluation of the effects of carbon nanotube entanglement and bundling on the structural and mechanical properties of buckypaper. Carbon 50:1793–1806. doi:10.1016/j.carbon.2011.12.027
26. Liu Y, Xie B, Zhang Z, Zheng Q, Xu Z (2012) Mechanical properties of graphene papers. J Mech Phys Solids 60:591–605. doi:10.1016/j.jmps.2012.01.002
27. Liu Y, Li Y, Yang G, Zheng X, Zhou S (2015) Multi-stimulus-responsive shape-memory polymer nanocomposite network cross-linked by cellulose nanocrystals. ACS Appl Mater Interfaces 7:4118–4126. doi:10.1021/am5081056
28. Majoinen J, Kontturi E, Ikkala O, Gray DG (2012) SEM imaging of chiral nematic films cast from cellulose nanocrystal suspensions. Cellulose 19:1599–1605
29. Meng Z, Soler-Crespo RA, Xia W, Gao W, Ruiz L, Espinosa HD, Keten S (2017) A coarse-grained model for the mechanical behavior of graphene oxide. Carbon 117:476–487. doi:10.1016/j.carbon.2017.02.061
30. Moon RJ, Martini A, Nairn J, Simonsen J, Youngblood J (2011) Cellulose nanomaterials review: structure, properties and nanocomposites. Chem Soc Rev 40:3941–3994. doi:10.1039/c0cs00108b
31. Mtibe A, Linganiso LZ, Mathew AP, Oksman K, John MJ, Anandjiwala RD (2015) A comparative study on properties of micro and nanopapers produced from cellulose and cellulose nanofibres. Carbohydr Polym 118:1–8. doi:10.1016/j.carbpol.2014.10.007
32. Nikolov S et al (2010) Revealing the design principles of high-performance biological composites using Ab initio and multiscale simulations: the example of lobster cuticle. Adv Mater 22:519–526. doi:10.1002/adma.200902019
33. Noid WG (2013) Perspective: coarse-grained models for biomolecular systems. J Chem Phys 139:090901. doi:10.1063/1.4818908
34. Pan J, Hamad W, Straus SK (2010) Parameters affecting the chiral nematic phase of nanocrystalline cellulose films. Macromolecules 43:3851–3858. doi:10.1021/ma902383k
35. Phillips JC et al (2005) Scalable molecular dynamics with NAMD. J Comput Chem 26:1781–1802. doi:10.1002/jcc.20289
36. Plimpton S (1995) Fast parallel algorithms for short-range molecular dynamics. J Comput Phys 117:1–19. doi:10.1006/jcph.1995.1039
37. Qin X, Xia W, Sinko R, Keten S (2015) Tuning glass transition in polymer nanocomposites with functionalized cellulose nanocrystals through nanoconfinement. Nano Lett 15:6738–6744. doi:10.1021/acs.nanolett.5b02588
38. Ramanathan T et al (2008) Functionalized graphene sheets for polymer nanocomposites. Nat Nanotechnol 3:327–331. doi:10.1038/nnano.2008.96
39. Reising AB, Moon RJ, Youngblood JP (2012) Effect of particle alignment on mechanical properties of neat cellulose nanocrystal films. J Sci Technol Forest Prod Process 2:32–41
40. Ruiz L, Xia W, Meng Z, Keten S (2015) A coarse-grained model for the mechanical behavior of multi-layer graphene. Carbon 82:103–115. doi:10.1016/j.carbon.2014.10.040
41. Saito T, Uematsu T, Kimura S, Enomae T, Isogai A (2011) Self-aligned integration of native cellulose nanofibrils towards producing diverse bulk materials. Soft Matter 7:8804–8809. doi:10.1039/C1SM06050C
42. Sehaqui H, Liu A, Zhou Q, Berglund LA (2010) Fast preparation procedure for large flat cellulose and cellulose/inorganic nanopaper structures. Biomacromolecules 11:2195–2198. doi:10.1021/bm100490s
43. Sehaqui H, Zhou Q, Ikkala O, Berglund LA (2011) Strong and tough cellulose nanopaper with high specific surface area and porosity. Biomacromolecules 12:3638–3644. doi:10.1021/bm2008907
44. Sehaqui H, Ezekiel Mushi N, Morimune S, Salajkova M, Nishino T, Berglund LA (2012) Cellulose nanofiber orientation in nanopaper and nanocomposites by cold drawing. ACS Appl Mater Interfaces 4:1043–1049. doi:10.1021/am2016766
45. Shao C, Keten S (2015) Stiffness enhancement in nacre-inspired nanocomposites due to nanoconfinement. Sci Rep 5:16452. doi:10.1038/srep16452
46. Shopsowitz KE, Stahl A, Hamad WY, MacLachlan MJ (2012) Hard templating of nanocrystalline titanium dioxide with chiral nematic ordering. Angew Chem Int Ed 51:6886–6890. doi:10.1002/anie.201201113
47. Sinko R, Keten S (2014) Effect of moisture on the traction-separation behavior of cellulose nanocrystal interfaces. Appl Phys Lett 105:243702. doi:10.1063/1.4904708
48. Sinko R, Keten S (2015) Traction–separation laws and stick–slip shear phenomenon of interfaces between cellulose nanocrystals. J Mech Phys Solids 78:526–539. doi:10.1016/j.jmps.2015.02.012
49. Sinko R, Mishra S, Ruiz L, Brandis N, Keten S (2013) Dimensions of biological cellulose nanocrystals maximize fracture strength. ACS Macro Lett 3:64–69. doi:10.1021/mz400471y
50. Sinko R, Qin X, Keten S (2015) Interfacial mechanics of cellulose nanocrystals. MRS Bull 40:340–348. doi:10.1557/mrs.2015.67
51. Song ZQ, Ni Y, Peng LM, Liang HY, He LH (2016) Interface failure modes explain non-monotonic size-dependent mechanical properties in bioinspired nanolaminates. Sci Rep 6:23724. doi:10.1038/srep23724
52. Šturcová A, Davies GR, Eichhorn SJ (2005) Elastic modulus and stress-transfer properties of tunicate cellulose whiskers. Biomacromolecules 6:1055–1061. doi:10.1021/bm049291k
53. Trache D, Hussin MH, Haafiz MKM, Thakur VK (2017) Recent progress in cellulose nanocrystals: sources and production. Nanoscale 9:1763–1786. doi:10.1039/C6NR09494E
54. Wang B, Torres-Rendon JG, Yu J, Zhang Y, Walther A (2015) Aligned bioinspired cellulose nanocrystal-based nanocomposites with synergetic mechanical properties and improved hygromechanical performance. ACS Appl Mater Interfaces 7:4595–4607. doi:10.1021/am507726t
55. Weaver JC et al (2012) The stomatopod dactyl club: a formidable damage-tolerant biological hammer. Science 336:1275–1280. doi:10.1126/science.1218764
56. Wegst UGK, Bai H, Saiz E, Tomsia AP, Ritchie RO (2015) Bioinspired structural materials. Nat Mater 14:23–36. doi:10.1038/nmat4089
57. Wei X, Naraghi M, Espinosa HD (2012) Optimal length scales emerging from shear load transfer in natural materials: application to carbon-based nanocomposite design. ACS Nano 6:2333–2344. doi:10.1021/nn204506d
58. Wu X, Moon R, Martini A (2014) Tensile strength of Iβ crystalline cellulose predicted by molecular dynamics simulation. Cellulose 21:2233–2245. doi:10.1007/s10570-014-0325-0
59. Xia W, Mishra S, Keten S (2013) Substrate vs. free surface: competing effects on the glass transition of polymer thin films. Polymer 54:5942–5951. doi:10.1016/j.polymer.2013.08.013
60. Xia W, Ruiz L, Pugno NM, Keten S (2016) Critical length scales and strain localization govern the mechanical performance of multi-layer graphene assemblies. Nanoscale 8:6456–6462. doi:10.1039/C5NR08488A
61. Xie B, Liu Y, Ding Y, Zheng Q, Xu Z (2011) Mechanics of carbon nanotube networks: microstructural evolution and optimal design. Soft Matter 7:10039. doi:10.1039/c1sm06034a
62. Zhu H et al. (2015) Anomalous scaling law of strength and toughness of cellulose nanopaper. Proc Natl Acad Sci:201502870 doi:10.1073/pnas.1502870112