Mechanical Properties of Boehmite Evaluated by Atomic Force Microscopy Experiments and Molecular Dynamic Finite Element Simulations

Research output: Contribution to journalArticleResearchpeer review

Authors

  • J. Fankhänel
  • D. Silbernagl
  • M. Ghasem Zadeh Khorasani
  • B. Daum
  • A. Kempe
  • H. Sturm
  • R. Rolfes

Research Organisations

External Research Organisations

  • BAM Federal Institute for Materials Research and Testing
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Details

Original languageEnglish
Article number5017213
JournalJournal of nanomaterials
Volume2016
Publication statusPublished - 20 Nov 2016

Abstract

Boehmite nanoparticles show great potential in improving mechanical properties of fiber reinforced polymers. In order to predict the properties of nanocomposites, knowledge about the material parameters of the constituent phases, including the boehmite particles, is crucial. In this study, the mechanical behavior of boehmite is investigated using Atomic Force Microscopy (AFM) experiments and Molecular Dynamic Finite Element Method (MDFEM) simulations. Young's modulus of the perfect crystalline boehmite nanoparticles is derived from numerical AFM simulations. Results of AFM experiments on boehmite nanoparticles deviate significantly. Possible causes are identified by experiments on complementary types of boehmite, that is, geological and hydrothermally synthesized samples, and further simulations of imperfect crystals and combined boehmite/epoxy models. Under certain circumstances, the mechanical behavior of boehmite was found to be dominated by inelastic effects that are discussed in detail in the present work. The studies are substantiated with accompanying X-ray diffraction and Raman experiments.

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Cite this

Mechanical Properties of Boehmite Evaluated by Atomic Force Microscopy Experiments and Molecular Dynamic Finite Element Simulations. / Fankhänel, J.; Silbernagl, D.; Ghasem Zadeh Khorasani, M. et al.
In: Journal of nanomaterials, Vol. 2016, 5017213, 20.11.2016.

Research output: Contribution to journalArticleResearchpeer review

Fankhänel J, Silbernagl D, Ghasem Zadeh Khorasani M, Daum B, Kempe A, Sturm H et al. Mechanical Properties of Boehmite Evaluated by Atomic Force Microscopy Experiments and Molecular Dynamic Finite Element Simulations. Journal of nanomaterials. 2016 Nov 20;2016:5017213. doi: 10.1155/2016/5017213
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abstract = "Boehmite nanoparticles show great potential in improving mechanical properties of fiber reinforced polymers. In order to predict the properties of nanocomposites, knowledge about the material parameters of the constituent phases, including the boehmite particles, is crucial. In this study, the mechanical behavior of boehmite is investigated using Atomic Force Microscopy (AFM) experiments and Molecular Dynamic Finite Element Method (MDFEM) simulations. Young's modulus of the perfect crystalline boehmite nanoparticles is derived from numerical AFM simulations. Results of AFM experiments on boehmite nanoparticles deviate significantly. Possible causes are identified by experiments on complementary types of boehmite, that is, geological and hydrothermally synthesized samples, and further simulations of imperfect crystals and combined boehmite/epoxy models. Under certain circumstances, the mechanical behavior of boehmite was found to be dominated by inelastic effects that are discussed in detail in the present work. The studies are substantiated with accompanying X-ray diffraction and Raman experiments.",
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