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Predictive modeling and simulation of silica aerogels by using aggregation algorithms

Abdusalamov, Rasul and Pandit, Prakul and Itskov, Mikhail and Milow, Barbara and Rege, Ameya Govind (2021) Predictive modeling and simulation of silica aerogels by using aggregation algorithms. Proceedings in Applied Mathematics and Mechanics, 21 (1), e202100165. Wiley. doi: 10.1002/pamm.202100165. ISSN 1617-7061.

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Official URL: https://onlinelibrary.wiley.com/doi/10.1002/pamm.202100165

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.

Item URL in elib:https://elib.dlr.de/148428/
Document Type:Article
Title:Predictive modeling and simulation of silica aerogels by using aggregation algorithms
Authors:
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Abdusalamov, RasulRWTH Aachen UniversityUNSPECIFIED
Pandit, Prakulprakul.pandit (at) dlr.deUNSPECIFIED
Itskov, Mikhailitskov (at) km.rwth-aachen.deUNSPECIFIED
Milow, BarbaraBarbara.Milow (at) dlr.dehttps://orcid.org/0000-0002-6350-7728
Rege, Ameya GovindAmeya.Rege (at) dlr.dehttps://orcid.org/0000-0001-9564-5482
Date:14 December 2021
Journal or Publication Title:Proceedings in Applied Mathematics and Mechanics
Refereed publication:Yes
Open Access:Yes
Gold Open Access:No
In SCOPUS:No
In ISI Web of Science:No
Volume:21
DOI :10.1002/pamm.202100165
Page Range:e202100165
Publisher:Wiley
ISSN:1617-7061
Status:Published
Keywords:machine learning, diffusion-limited aggregation, silica aerogel, fractal dimension
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Transport
HGF - Program Themes:Transport System
DLR - Research area:Transport
DLR - Program:V VS - Verkehrssystem
DLR - Research theme (Project):V - Energie und Verkehr
Location: Köln-Porz
Institutes and Institutions:Institute of Materials Research > Aerogels and Aerogel Composites
Deposited By: Rege, Dr. Ameya Govind
Deposited On:24 Jan 2022 09:06
Last Modified:24 Jan 2022 09:06

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