TY - JOUR

T1 - Mechanical Properties of Boehmite Evaluated by Atomic Force Microscopy Experiments and Molecular Dynamic Finite Element Simulations

AU - Fankhänel, J.

AU - Silbernagl, D.

AU - Ghasem Zadeh Khorasani, M.

AU - Daum, B.

AU - Kempe, A.

AU - Sturm, H.

AU - Rolfes, R.

N1 - Funding information: This work originates from the Research Unit FOR 2021 Acting Principles ofNano-ScaledMatrix Additives for Composite Structures funded by the German Research Foundation (DFG). The authors would like to thank Dr. Franziska Emmerling, BAM, Berlin, Division 1.3, for providing and analyzing X-ray diffraction data of boehmite nanoparticles. Furthermore, the authors acknowledge the support by the RRZN scientific computing cluster, which is funded by the Leibniz Universitat Hannover, the Lower Saxony Ministry of Science and Culture (MWK), and the German Research Foundation (DFG). The authors wish to express their gratitude for the financial support

PY - 2016/11/20

Y1 - 2016/11/20

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85006052044&partnerID=8YFLogxK

U2 - 10.1155/2016/5017213

DO - 10.1155/2016/5017213

M3 - Article

AN - SCOPUS:85006052044

VL - 2016

JO - Journal of nanomaterials

JF - Journal of nanomaterials

SN - 1687-4110

M1 - 5017213

ER -