The mechanics and design of a local crystallization of amorphous for carbon material by molecular dynamics simulation
Source abstract
Abstract
Achieving high strength and plasticity by means of microstructure manipulation of three-dimensional carbon material attracts researchers’ attention. This work is primarily on the influence of sp 2 content at micro and molecular level on mechanical properties by molecular dynamics simulation. Additionally, the influence of interfaces has been investigated by three multi-nanocapsule pillars assembled with the equiaxed amorphous models. The model that has the best fit between strength and plasticity we obtained is the amorphous model with 100% multi-layer nanotubes fragments, and with no interfaces. We found that the rotating and folding of fragments are the main microscopic deformation mechanisms of amorphous carbon materials with sp 2 fraction decreasing attributed to the breaking of covalent bonds, which has also been verified in experiment. The rotation of the nanocapsule and the migration of the interface contribute more in the condition of the existence of interfaces in the amorphous carbon material.
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Research context
OpenAlex topics: Carbon Nanotubes in Composites · Graphene research and applications · Diamond and Carbon-based Materials Research
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (35)
Show source-provided references
1. Elastic moduli of multi-walled carbon nanotubes and the effect of van der Waals forces10.1016/S0266-3538(03)00072-1 ↗
2. On the restricted three-body model of the dynamical behaviour of masses of C70 fullerenes at the nanoscale10.1016/j.heliyon.2022.e08899 ↗
3. Three-dimensionally bonded spongy graphene material with super compressive elasticity and near-zero Poisson's ratio10.1038/ncomms7141 ↗
4. Three-dimensional flexible and conductive interconnected graphene networks grown by chemical vapour deposition10.1038/nmat3001 ↗
5. The mechanics and design of a lightweight three-dimensional graphene assembly10.1126/sciadv.1601536 ↗
6. Carbon nanotube arrays with strong shear binding-on and easy normal lifting-off10.1126/science.1159503 ↗
7. Graphene and graphene oxide energetic interactions with polymers through molecular dynamics simulations10.1016/j.commatsci.2022.111548 ↗
8. Unipolar stroke, electroosmotic pump carbon nanotube yarn muscles10.1126/science.abc4538 ↗
9. Superelastic pseudocapacitors from freestanding MnO2-decorated graphene-coated carbon nanotube aerogels10.1021/acsami.7b06210 ↗
10. Mesoscale assembly of chemically modified graphene into complex cellular networks10.1038/ncomms5328 ↗
11. Ultralight and highly compressible graphene aerogels10.1002/adma.201204530 ↗
12. Evaluation of Young's modulus of carbon nanotubes by micro-Raman spectroscopy10.1557/JMR.1998.0336 ↗
13. Design and characterization of metallic glass/graphene multilayer with excellent nanowear properties10.1007/s40544-021-0581-6 ↗
14. Sugar-derived isotropic nanoscale polycrystalline graphite capable of considerable plastic deformation10.1002/adma.202200363 ↗
15. Theoretical strength and rubber-like behaviour in micro-sized pyrolytic carbon10.1038/s41565-019-0486-y ↗
16. Ultrahard bulk amorphous carbon from collapsed fullerene10.1038/s41586-021-03882-9 ↗
17. The design and biomedical applications of self-assembled two-dimensional organic biomaterials10.1039/C8CS01003J ↗
18. A supercompressible, elastic, and bendable carbon aerogel with ultrasensitive detection limits for compression strain, pressure, and bending angle10.1002/adma.201706705 ↗
19. Prediction of Young's modulus of single wall carbon nanotubes by molecular-mechanics based finite element modelling10.1016/j.compscitech.2005.11.015 ↗
20. Calculations of uniaxial tensile strength of Al–Cu–Ni based metallic glasses using molecular dynamics simulations10.1016/j.physb.2020.412566 ↗
21. Time-reversible velocity predictors for verlet integration with velocity-dependent right-hand side10.1021/ct200108g ↗
22. Precisely tailoring the thermodynamic compatibility between single-walled carbon nanotubes and styrene butadiene rubber via fully atomistic molecular dynamics simulation and theoretical approach10.1016/j.commatsci.2020.109995 ↗
23. A reactive potential for hydrocarbons with intermolecular interactions10.1063/1.481208 ↗
24. Atomistic modeling of the fracture of polycrystalline diamond10.1103/PhysRevB.61.3877 ↗
25. Thermal conductivity of graphene kirigami: ultralow and strain robustness10.1016/j.carbon.2016.03.043 ↗
26. Two-dimensional carbon nanotube woven highly-stretchable film with strain-induced tunable impacting performance10.1016/j.carbon.2021.12.065 ↗
27. Biomimetic ultralight, highly porous, shape-adjustable, and biocompatible 3D graphene minerals via incorporation of self-assembled peptide nanosheets10.1002/adfm.201801056 ↗
28. Photo-induced reversible structural transition of cationic diphenylalanine peptide self-assembly10.1002/smll.201402140 ↗
29. Applying molecular dynamics simulation to take the fracture fingerprint of polycrystalline SiC nanosheets10.1016/j.commatsci.2021.110770 ↗
30. Pseudo Hall-Petch strength reduction in polycrystalline graphene10.1021/nl400542n ↗
31. Micromechanical landscape of three-dimensional disordered graphene networks10.1021/acs.nanolett.1c02985 ↗
32. Super-elastic and fatigue resistant carbon material with lamellar multi-arch microstructure10.1038/ncomms12920 ↗
33. Predicting superhard materials via a machine learning informed evolutionary structure search10.1038/s41524-019-0226-8 ↗
34. Grain boundary sliding and amorphization are responsible for the reverse hall-petch relation in superhard nanocrystalline boron carbide10.1103/PhysRevLett.121.145504 ↗
35. Superplastic extensibility of nanocrystalline copper at room temperature10.1126/science.287.5457.1463 ↗