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Main Authors: Liu, Qibang, Cai, Pengfei, Abueidda, Diab, Vyas, Sagar, Koric, Seid, Gomez-Bombarelli, Rafael, Geubelle, Philippe
Format: Preprint
Published: 2024
Subjects:
Online Access:https://arxiv.org/abs/2410.17518
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author Liu, Qibang
Cai, Pengfei
Abueidda, Diab
Vyas, Sagar
Koric, Seid
Gomez-Bombarelli, Rafael
Geubelle, Philippe
author_facet Liu, Qibang
Cai, Pengfei
Abueidda, Diab
Vyas, Sagar
Koric, Seid
Gomez-Bombarelli, Rafael
Geubelle, Philippe
contents Under some initial and boundary conditions, the rapid reaction-thermal diffusion process taking place during frontal polymerization (FP) destabilizes the planar mode of front propagation, leading to spatially varying, complex hierarchical patterns in thermoset polymeric materials. Although modern reaction-diffusion models can predict the patterns resulting from unstable FP, the inverse design of patterns, which aims to retrieve process conditions that produce a desired pattern, remains an open challenge due to the non-unique and non-intuitive mapping between process conditions and manufactured patterns. In this work, we propose a probabilistic generative model named univariate conditional variational autoencoder (UcVAE) for the inverse design of hierarchical patterns in FP-based manufacturing. Unlike the cVAE, which encodes both the design space and the design target, the UcVAE encodes only the design space. In the encoder of the UcVAE, the number of training parameters is significantly reduced compared to the cVAE, resulting in a shorter training time while maintaining comparable performance. Given desired pattern images, the trained UcVAE can generate multiple process condition solutions that produce high-fidelity hierarchical patterns.
format Preprint
id arxiv_https___arxiv_org_abs_2410_17518
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Univariate Conditional Variational Autoencoder for Morphogenic Patterns Design in Frontal Polymerization-Based Manufacturing
Liu, Qibang
Cai, Pengfei
Abueidda, Diab
Vyas, Sagar
Koric, Seid
Gomez-Bombarelli, Rafael
Geubelle, Philippe
Computational Physics
Machine Learning
Under some initial and boundary conditions, the rapid reaction-thermal diffusion process taking place during frontal polymerization (FP) destabilizes the planar mode of front propagation, leading to spatially varying, complex hierarchical patterns in thermoset polymeric materials. Although modern reaction-diffusion models can predict the patterns resulting from unstable FP, the inverse design of patterns, which aims to retrieve process conditions that produce a desired pattern, remains an open challenge due to the non-unique and non-intuitive mapping between process conditions and manufactured patterns. In this work, we propose a probabilistic generative model named univariate conditional variational autoencoder (UcVAE) for the inverse design of hierarchical patterns in FP-based manufacturing. Unlike the cVAE, which encodes both the design space and the design target, the UcVAE encodes only the design space. In the encoder of the UcVAE, the number of training parameters is significantly reduced compared to the cVAE, resulting in a shorter training time while maintaining comparable performance. Given desired pattern images, the trained UcVAE can generate multiple process condition solutions that produce high-fidelity hierarchical patterns.
title Univariate Conditional Variational Autoencoder for Morphogenic Patterns Design in Frontal Polymerization-Based Manufacturing
topic Computational Physics
Machine Learning
url https://arxiv.org/abs/2410.17518