Machine learning-based structure–property predictions in silica aerogels

R Abdusalamov, P Pandit, B Milow, M Itskov, A Rege - Soft matter, 2021 - pubs.rsc.org
The structural features in silica aerogels are known to be modelled effectively by the
diffusion-limited cluster–cluster aggregation (DLCA) approach. In this paper, an artificial …

Modeling and simulation of the aggregation and the structural and mechanical properties of silica aerogels

R Abdusalamov, C Scherdel, M Itskov… - The Journal of …, 2021 - ACS Publications
Mechanical properties of aerogels are controlled by the connectivity of their network. In this
paper, in order to study these properties, computational models of silica aerogels with …

Deep reinforcement learning for microstructural optimisation of silica aerogels

P Pandit, R Abdusalamov, M Itskov, A Rege - Scientific Reports, 2024 - nature.com
Silica aerogels are being extensively studied for aerospace and transportation applications
due to their diverse multifunctional properties. While their microstructural features dictate …

Machine learning‐based model for predicting the material properties of nanostructured aerogels

OA Tafreshi, Z Saadatnia… - SPE …, 2023 - Wiley Online Library
Data‐driven modeling in material science rose to prominence in the last decade, and
various supervised and unsupervised machine learning techniques have been employed for …

A perspective on methods to computationally design the morphology of aerogels

A Rege - Advanced Engineering Materials, 2023 - Wiley Online Library
Reconstructing aerogel morphology presents significant challenges, in particular, if 3D
visualizations of their mesoporous network are desired. Available microscopic and …

Fractal structure in silica and composites aerogels

T Woignier, J Primera, A Alaoui, P Dieudonne… - Gels, 2020 - mdpi.com
Silica aerogels are known to be materials with exceptional characteristics, such as ultra-low
density, high surface area, high porosity, high adsorption, and low-thermal conductivity. In …

Simulation of the tensile properties of silica aerogels: the effects of cluster structure and primary particle size

Q Liu, Z Lu, M Zhu, Z Yuan, Z Yang, Z Hu, J Li - Soft matter, 2014 - pubs.rsc.org
A new two-level model is proposed to investigate the relationship between the mechanical
properties and microstructure of silica aerogels. This two-level model consists of the particle …

Cellular automata modeling of silica aerogel condensation kinetics

NH Borzęcka, B Nowak, R Pakuła, R Przewodzki… - Gels, 2021 - mdpi.com
The formation of silica aerogels and the kinetics of condensation were investigated
numerically. The influence of the reaction-limited to the diffusion-limited aggregation (RLA to …

A computational micromechanics model to predict mechanical properties of porous silica aerogels

C Jia, T Zhang, H Zhao - Journal of Applied Physics, 2022 - pubs.aip.org
Porous silica aerogel is an ultra-low-density material with nanostructures that leads to its
excellent physio-chemical properties. Considering the characteristics of the material, a …

Continuous adjustment of fractal dimension of silica aerogels

T Li, A Du, T Zhang, W Ding, M Liu, J Shen… - Journal of Non …, 2018 - Elsevier
In previous study, it was found that the fractal dimension of the silica aerogel could be only
controlled by adjusting the catalysts. In this work, we used the aging process investigated by …