Physically Constrained 3D Diffusion for Inverse Design of Fiber-reinforced Polymer Composite Materials

Fuente: arXiv
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Auteurs principaux: Xu, Pei, Wu, Yunpeng, Pilla, Srikanth, Li, Gang, Luo, Feng
Format: Preprint
Publié: 2024
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author Xu, Pei
Wu, Yunpeng
Pilla, Srikanth
Li, Gang
Luo, Feng
author_facet Xu, Pei
Wu, Yunpeng
Pilla, Srikanth
Li, Gang
Luo, Feng
contents Designing fiber-reinforced polymer composites (FRPCs) with a tailored nonlinear stress-strain response can enable innovative applications across various industries. Currently, no efforts have achieved the inverse design of FRPCs that target the entire stress-strain curve. Here, we develop PC3D_Diffusion, a 3D spatial diffusion model designed for the inverse design of FRPCs. We generate 1.35 million FRPCs and calculate their stress-strain curves for training. Although the vanilla PC3D_Diffusion can generate visually appealing results, less than 10% of FRPCs generated by the vanilla model are collision-free, in which fibers do not intersect with each other. We then propose a loss-guided, learning-free approach to apply physical constraints during generation. As a result, PC3D_Diffusion can generate high-quality designs with tailored mechanical behaviors while guaranteeing to satisfy the physical constraints. PC3D_Diffusion advances FRPC inverse design and may facilitate the inverse design of other 3D materials, offering potential applications in industries reliant on materials with custom mechanical properties.
format Preprint
id arxiv_https___arxiv_org_abs_2412_01321
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Physically Constrained 3D Diffusion for Inverse Design of Fiber-reinforced Polymer Composite Materials
Xu, Pei
Wu, Yunpeng
Pilla, Srikanth
Li, Gang
Luo, Feng
Soft Condensed Matter
Materials Science
Designing fiber-reinforced polymer composites (FRPCs) with a tailored nonlinear stress-strain response can enable innovative applications across various industries. Currently, no efforts have achieved the inverse design of FRPCs that target the entire stress-strain curve. Here, we develop PC3D_Diffusion, a 3D spatial diffusion model designed for the inverse design of FRPCs. We generate 1.35 million FRPCs and calculate their stress-strain curves for training. Although the vanilla PC3D_Diffusion can generate visually appealing results, less than 10% of FRPCs generated by the vanilla model are collision-free, in which fibers do not intersect with each other. We then propose a loss-guided, learning-free approach to apply physical constraints during generation. As a result, PC3D_Diffusion can generate high-quality designs with tailored mechanical behaviors while guaranteeing to satisfy the physical constraints. PC3D_Diffusion advances FRPC inverse design and may facilitate the inverse design of other 3D materials, offering potential applications in industries reliant on materials with custom mechanical properties.
title Physically Constrained 3D Diffusion for Inverse Design of Fiber-reinforced Polymer Composite Materials
topic Soft Condensed Matter
Materials Science
url https://arxiv.org/abs/2412.01321