Effect of organization of semi-flexible polymers on mechanical properties of its composite with single wall carbon nanotubes
Source abstract
Abstract
Abstract Researchers have used molecular simulations to determine the mechanical properties of single walled carbon nanotube (SWCNT)-polymer nanocomposite but have not looked into composite of semi-flexible polymers. We have explored the effect of the organizations of semi-flexible polymer on mechanical properties such as elastic modulus and yield stress of the polymer-SWCNT composite. The proportions of locally ordered organization of polymer chains in a sample depend on its flexibility. For a fixed flexibility of a polymer chain, the presence of SWCNTs improves the proportion of regularly arranged polymers present in the composite. In turn, this improves the elastic modulus and yield stress of the polymer of higher rigidity. The enhancement in elastic modulus and yield stress is due to the retarded deformation of densely packed, ordered region of polymer chains in polymer/SWCNT composite. The presence of randomly oriented chains in a polymer sample containing regularly arranged polymer leads to the higher strain at yield point.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Carbon Nanotubes in Composites · Nanotechnology research and applications · Force Microscopy Techniques and Applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (61)
Show source-provided references
1. Carbon nanotubes-the route toward applications10.1126/science.1060928 ↗
2. Load transfer and deformation mechanisms in carbon nanotube-polystyrene composites10.1063/1.126500 ↗
3. Nanobeam mechanics: elasticity, strength, and toughness of nanorods and nanotubes10.1126/science.277.5334.1971 ↗
4. Carbon nanotube composites for thermal management10.1063/1.1469696 ↗
5. Thermal conduction in aligned carbon nanotube–polymer nanocomposites with high packing density10.1021/nn200847u ↗
6. Thermal properties and percolation in carbon nanotube-polymer composites10.1063/1.2813625 ↗
7. Electrostatic deflections and electromechanical resonances of carbon nanotubes10.1126/science.283.5407.1513 ↗
8. Electrical resistivity and thermal properties of compatibilized multi-walled carbon nanotube/polypropylene composites
9. Electrical conductivity enhancement of polymer/multiwalled carbon nanotube (MWCNT) composites by thermally-induced defunctionalization of MWCNTs10.1021/am200558f ↗
10. Mechanical and barrier properties of carbon nanotube reinforced PCL-based composite films: effect of gamma radiation10.1002/app.37715 ↗
11. Nanocomposites of carbon nanotubes fibers prepared by polymer crystallization10.1021/am1001663 ↗
12. Polyethylene multiwalled carbon nanotubes composites10.1016/j.polymer.2005.06.094 ↗
13. Dispersion of carbon nanotubes into polyethylene by an additive assisted one-step melt mixing approach10.1016/j.polymer.2015.04.025 ↗
14. Effect of encapsulated SWNT on the mechanical properties of melt mixed PA12/SWNT composites10.1016/j.cplett.2004.05.045 ↗
15. Preparation and characterization of linear low density polyethylene/carbon nanotubes nanocomposites10.1080/00222340701389100 ↗
16. Modeling techniques for determination of mechanical properties of polymer nanocomposites
17. Molecular dynamics simulations of the mechanical properties of polyethylene-carbon nanotubes composites
18. Thermal expansion and diffusion coefficients of carbon nanotubes-polymer composites10.1021/nl025554+ ↗
19. Influence of nanorod inclusions on structure and primitive path network of polymer nanocomposites at equilibrium and under deformation10.1021/ma102741r ↗
20. Cavitation and crazing in rod-containing nanocomposites10.1021/ma200541s ↗
21. Multiscale modeling of polymer-matrix composites10.1016/j.commatsci.2014.10.023 ↗
22. The stress–strain behavior of polymer–nanotubes composites from molecular dynamics simulation10.1016/S0266-3538(03)00059-9 ↗
23. Realizing the enhancement of interfacial interaction in semicrystalline polymer/filler composites via interfacial crystallization10.1016/j.progpolymsci.2011.12.005 ↗
24. Rheology, processing, tensile properties, and crystallization of polyethylene/carbon nanotubes composites10.1021/ma900645f ↗
25. Direct observation of polymer sheathing in carbon nanotube-polycarbonate composites10.1021/nl0345973 ↗
26. Mechanical properties of high density polyethylene/carbon nanotubes composites10.1016/j.compscitech.2007.04.024 ↗
27. Universal monomer dynamics of a two-dimensional semi-flexible chain10.1209/0295-5075/105/18002 ↗
28. Nucleation of polymer crystals: The “δ Mystery”10.1021/ma101078a ↗
29. Heterogeneous directional mobility in the early stages of polymer crystallization10.1063/1.2813896 ↗
30. Effect of coil−globule transition on the single-chain crystallization10.1021/jp3120397 ↗
31. Raindrop coalescence of polymer chains during coil−globule transition10.1021/ma302364f ↗
32. Molecular dynamics simulations of flexible polymer chains wrapping single-walled carbon nanotubes10.1021/jp908001d ↗
33. Molecular dynamics simulations of polymers with stiff backbones interacting with single-walled carbon nanotubes10.1021/jp101191j ↗
34. Molecular dynamics simulation of polyethylene on single wall carbon nanotubes10.1063/1.2768060 ↗
35. Conformational behavior of polymers adsorbed on nanotubes10.1063/1.2894842 ↗
36. Conformational behavior of polymers adsorbed on nanotubes
37. Radius and chirality dependent conformation of polymer molecule at nanotubes interface10.1021/nl0605770 ↗
38. Structural phase transition of alkane molecules in nanotube composites10.1103/PhysRevB.76.134104 ↗
39. Adsorption of an alkane mixture on carbon nanotubes: selectivity and kinetics10.1103/PhysRevB.80.085409 ↗
40. Molecular dynamics simulation of an amorphous polymer under tension: 110.1021/ma00008a056 ↗
41. Molecular dynamics simulations of deformation mechanisms of amorphous polyethylene10.1016/j.polymer.2010.10.009 ↗
42. Fracture mechanism of amorphous polymers at strain fields10.1039/C4CP03120B ↗
43. Plastic deformation of semicrystalline polyethylene under extension, compression, and shear using molecular dynamics simulation10.1021/ma402297a ↗
44. Plastic Deformation of Semicrystalline Polyethylene by Molecular Simulation10.1021/ma1026115 ↗
45. Molecular dynamics in fiber formation of polyethylene and large deformation of the fiber10.1016/j.polymer.2013.04.029 ↗
46. A molecular-dynamics study of polyethylene crystallization10.1021/ma00068a012 ↗
47. Fast parallel algorithms for short-range molecular dynamics10.1006/jcph.1995.1039 ↗
48. Organization of polymer chains onto long, single-wall carbon nano-tubes: Effect of tube diameter and cooling method10.1063/1.4860976 ↗
49. Polymers encapsulated in short single wall carbon nanotubes: Pseudo-1D morphologies and induced chirality10.1063/1.4914463 ↗
50. VMD: visual molecular dynamics10.1016/0263-7855(96)00018-5 ↗
51. The bond fluctuation method: a new effective algorithm for the dynamics of polymers in all spatial dimensions10.1021/ma00187a030 ↗
52. Morphological structures formed by grafted polymers in poor solvents10.1063/1.1917772 ↗
53. DREIDING: a generic force field for molecular simulations10.1021/j100389a010 ↗
54. Persistence length of short-chain branched polyethylene10.1021/ma801775n ↗
55. Molecular dynamics studies of polyethylene oxide and polyethylene glycol: hydrodynamic radius and shape anisotropy10.1529/biophysj.108.133025 ↗
56. Graessley · 2004
57. General formulation of pressure and stress tensor for arbitrary many-body interaction potentials under periodic boundary conditions10.1063/1.3245303 ↗
58. Fast analysis of molecular dynamics trajectories with graphics processing unit's Radial distribution function histogramming10.1016/j.jcp.2011.01.048 ↗
59. Effects of temperature and strain rate on the deformation of amorphous polyethylene: a comparison between molecular dynamics simulations and experimental results10.1088/0965-0393/21/6/065016 ↗
60. Yielding of a model glassy polycarbonate under tension: a molecular mechanics simulation10.1021/ma00119a008 ↗
61. Effect of uniformly applied force and molecular characteristics of a polymer chain on its adhesion to graphene substrates10.1021/acs.langmuir.5b04028 ↗