Predictive modeling and simulation of silica aerogels by using aggregation algorithms

PAMM, vol. 21

Abstract

Abstract Silica aerogels are highly porous solids with very low densities and thermal conductivities. Their high porosity results in a fractal morphology which has a strong influence on their mechanical properties. The geometric structure of silica aerogels can be described by diffusion‐limited cluster‐cluster aggregation (DLCA) models. In this work, the DLCA method is implemented to model silica aerogel networks and investigate the influence of different input parameters, as for example, varying particle sizes on their fractal properties. The resulting model networks are characterized for their fractal properties and compared with the small angle X‐ray scattering (SAXS) results of silica aerogels. Furthermore, their mechanical properties are simulated using the finite element method. There, the effect of varying densities on their mechanical properties is examined. In addition, an artificial neural network (ANN) is trained based on the input parameters of the DLCA algorithm to predict the fractal properties of the silica aerogel model. By inverting the ANN it is possible to identify the necessary inputs to generate desired fractal morphologies with specific mechanical properties.

Authors 5

1. Rasul Abdusalamov corresponding Aachen Department of Continuum Mechanics

   RWTH Aachen University

   Affiliation as printed

   Department of Continuum Mechanics RWTH Aachen University Eilfschornsteinstr. 18 52062 Aachen Germany

   Department of Continuum Mechanics, RWTH Aachen University, Eilfschornsteinstr. 18, 52062 Aachen, Germany

   Email: [email protected]

   Rasul Abdusalamov

   Telephone: +49 241 809 6444

2. Prakul Pandit

   Deutsches Zentrum für Luft- und Raumfahrt e. V. (DLR)

   Affiliation as printed

   Department of Aerogels and Aerogel Composites Institute of Materials Research German Aerospace Center Linder Höhe 51147 Cologne Germany

3. Mikhail Itskov Aachen Department of Continuum Mechanics

   RWTH Aachen University

   Affiliation as printed

   Department of Continuum Mechanics RWTH Aachen University Eilfschornsteinstr. 18 52062 Aachen Germany

   Department of Continuum Mechanics, RWTH Aachen University, Eilfschornsteinstr. 18, 52062 Aachen, Germany

4. Barbara Milow

   Deutsches Zentrum für Luft- und Raumfahrt e. V. (DLR)

   Affiliation as printed

   Department of Aerogels and Aerogel Composites Institute of Materials Research German Aerospace Center Linder Höhe 51147 Cologne Germany

5. Ameya Rege

   Deutsches Zentrum für Luft- und Raumfahrt e. V. (DLR)

   Affiliation as printed

   Department of Aerogels and Aerogel Composites Institute of Materials Research German Aerospace Center Linder Höhe 51147 Cologne Germany