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Change in mechanical anisotropy of LCE by the insertion of grafted Au nanoparticles: A molecular dynamics studyChange in mechanical anisotropy of LCE by the insertion of grafted Au nanoparticles: A molecular dynamics study
Last modified: 2021-05-18
Abstract
Synthesis of the liquid crystalline elastomer (LCE) nanocomposites using the grafted Au nanoparticle ensures a high concentration of nanoparticles and a homogeneity of the resulted nanocomposites. To observe the change in mechanical response of LCE material by the grafted Au nanoparticle insertion, all atom molecular dynamics simulation was applied. From the results, insertion of grafted Au nanoparticles caused deterioration of mechanical properties in all directions. Strain energy density analysis revealed that this is because flexible grafted molecules on the surface absorbed energy transferred to nanoparticle.
Keywords
Molecular dynamics simulation;
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