A Supervised Machine Learning Approach for Accelerating the Design of Particulate Composites: Application to Thermal Conductivity

Fuente: arXiv
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Autores principales: Hashemi, Mohammad Saber, Safdari, Masoud, Sheidaei, Azadeh
Formato: Preprint
Publicado: 2020
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author Hashemi, Mohammad Saber
Safdari, Masoud
Sheidaei, Azadeh
author_facet Hashemi, Mohammad Saber
Safdari, Masoud
Sheidaei, Azadeh
contents A supervised machine learning (ML) based computational methodology for the design of particulate multifunctional composite materials with desired thermal conductivity (TC) is presented. The design variables are physical descriptors of the material microstructure that directly link microstructure to the material's properties. A sufficiently large and uniformly sampled database was generated based on the Sobol sequence. Microstructures were realized using an efficient dense packing algorithm, and the TCs were obtained using our previously developed Fast Fourier Transform (FFT) homogenization method. Our optimized ML method is trained over the generated database and establishes the complex relationship between the structure and properties. Finally, the application of the trained ML model in the inverse design of a new class of composite materials, liquid metal (LM) elastomer, with desired TC is discussed. The results show that the surrogate model is accurate in predicting the microstructure behavior with respect to high-fidelity FFT simulations, and inverse design is robust in finding microstructure parameters according to case studies.
format Preprint
id arxiv_https___arxiv_org_abs_2010_00041
institution arXiv
publishDate 2020
record_format arxiv
spellingShingle A Supervised Machine Learning Approach for Accelerating the Design of Particulate Composites: Application to Thermal Conductivity
Hashemi, Mohammad Saber
Safdari, Masoud
Sheidaei, Azadeh
Computational Physics
Neural and Evolutionary Computing
A supervised machine learning (ML) based computational methodology for the design of particulate multifunctional composite materials with desired thermal conductivity (TC) is presented. The design variables are physical descriptors of the material microstructure that directly link microstructure to the material's properties. A sufficiently large and uniformly sampled database was generated based on the Sobol sequence. Microstructures were realized using an efficient dense packing algorithm, and the TCs were obtained using our previously developed Fast Fourier Transform (FFT) homogenization method. Our optimized ML method is trained over the generated database and establishes the complex relationship between the structure and properties. Finally, the application of the trained ML model in the inverse design of a new class of composite materials, liquid metal (LM) elastomer, with desired TC is discussed. The results show that the surrogate model is accurate in predicting the microstructure behavior with respect to high-fidelity FFT simulations, and inverse design is robust in finding microstructure parameters according to case studies.
title A Supervised Machine Learning Approach for Accelerating the Design of Particulate Composites: Application to Thermal Conductivity
topic Computational Physics
Neural and Evolutionary Computing
url https://arxiv.org/abs/2010.00041