Simulating Atomic Force Microscopy for the Determination of the Elastic Properties of Nanoparticle Reinforced Epoxy Resin

Daum

et al. 2018

Polymer

Boehmite nanoparticles show great potential in improving the matrix dominated mechanical properties of fiber reinforced polymers. For the material design process and the prediction of the nanocomposite's properties, knowledge about the material behavior of the constituent phases and their interactions is crucial. Since the chemical composition of the particle surface can strongly affect the interaction between particle and matrix, the influence of particle surface modification and mass fraction on mechanical properties (tensile modulus, tensile strength, fracture toughness) and failure mechanisms of nanoparticle reinforced epoxy resins is investigated using experimental and numerical methods. In the present work, unmodified and thus chemically reactive boehmite particles are compared to acetic acid modified particles with supposedly lower chemical reactivity and thus worse particle-matrix bonding. A linear relationship between particle mass fraction and tensile modulus/fracture toughness is experimentally found with a maximum increase of 26 % in tensile modulus and 62 % in critical energy release rate for a particle content of 15 wt%. Furthermore, the experiments indicate that the acetic acid surface modification increases the tensile modulus (up to 6 % compared to the unmodified boehmite particles), but at the same time not significantly affects the tensile strength or the fracture toughness. Molecular Dynamic Finite Element Method (MDFEM) simulations are conducted to identify and understand the mechanisms induced by nanoparticles. The material properties of both, modified and unmodified, nanoparticle systems are discussed in relation to the change of particle-matrix bonding strength and interphase morphology. While simulation results of the unmodified system show an outstanding agreement with the experiments, the acetic acid modified system deviates significantly. In conclusion, it seems that additional effects have to be considered to completely understand the material behavior.

Section: Introductionsupporting

confidence: 65%

Section: Numerical Methods and Modelsmentioning

confidence: 99%

Section: Numerical Methods and Modelsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 93%

See 2 more Smart Citations

Mechanical properties of epoxy/boehmite nanocomposites in dependency of mass fraction and surface modification - An experimental and numerical approach

Jux

Daum

et al. 2018

Polymer

“…All simulations presented in the following are performed using the DREIDING force field [32]. It has been parameterized for a large subset of the periodic tables of the chemical elements and was recently used successfully to model anhydride-cured epoxy resin as well as alumina [33] and boehmite nanoparticles [34] in an MDFEM context. Even though it is possible to apply different cutoff radii for the physical interactions (denoted as VdW-cutoff) within the sample and between sample and tip, a spherical cutoff of 15Å has proven to be suitable for both cases by parametric studies.…”

Section: Afm Simulation Modelsmentioning

confidence: 99%

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

Journal of Nanomaterials

Silbernagl

Khorasani

et al. 2016

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.

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

Acting Principles of Nano-Scaled Matrix Additives for Composite Structures

Silbernagl

Khorasani

et al. 2021

Self Cite

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.