Response-function-conditioned inverse design enables disorder as a design dimension in porous materials

Disordered porous materials offer broad mechanical-response spaces, but their non-periodic three-dimensional architectures make inverse design ill-posed: structurally distinct configurations can produce similar stress-strain curves, while scalar descriptors such as porosity cannot resolve the underlying topology. Here, we introduce a response-function-conditioned inverse design framework that learns directly from XCT-derived closed-cell aluminium-foam architectures and targets complete nonlinear stress-strain responses rather than individual properties. A point-cloud encoder and forward surrogate establish the structure-response relation, while conditional generation and gradient-based refinement search the learned structural space for manufacturable candidates. Trained on 844 XCT-derived subvolumes spanning porosities of 0.4034–0.8935, the forward model achieves a pointwise R² of 0.9918 and a median curve-level NRMSE of 3.015% on a parent-specimen-separated test set. For targets admitting multiple accepted solutions, inverse-designed candidates retain a median response NRMSE of 0.0358 while exhibiting a median pairwise structural distance of 0.2328, demonstrating non-trivial one-to-many design. Finite-element analyses and compression tests on additively manufactured architectures across three aluminium-alloy systems further confirm physical realizability. These results establish full-response conditioning as a practical route for designing real disordered porous materials beyond predefined unit cells.

Authors

Institutions

Publication Details

Journal
npj Computational Materials
Published
2026-10-16
DOI
https://doi.org/10.1038/s41524-026-02367-5
Primary Topic
Cellular and Composite Structures
Type
article
Field-Weighted Citation Impact
0.00

Funders

Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Response-function-conditioned inverse design enables disorder as a design dimension in porous materials

Liangliang Nan, Song Wang, Ran Chen, Wei Zhao et al.
npj Computational Materials
Cellular and Composite Structures
article

Response-function-conditioned inverse design enables disorder as a design dimension in porous materials

Liangliang Nan, Song Wang, Ran Chen, Wei Zhao, Honghua Chen, Jiaxiu Zhang, Hanyang Yu, Songcan Chen, Mingqiang Wei
article en

Abstract

Disordered porous materials offer broad mechanical-response spaces, but their non-periodic three-dimensional architectures make inverse design ill-posed: structurally distinct configurations can produce similar stress-strain curves, while scalar descriptors such as porosity cannot resolve the underlying topology. Here, we introduce a response-function-conditioned inverse design framework that learns directly from XCT-derived closed-cell aluminium-foam architectures and targets complete nonlinear stress-strain responses rather than individual properties. A point-cloud encoder and forward surrogate establish the structure-response relation, while conditional generation and gradient-based refinement search the learned structural space for manufacturable candidates. Trained on 844 XCT-derived subvolumes spanning porosities of 0.4034–0.8935, the forward model achieves a pointwise R² of 0.9918 and a median curve-level NRMSE of 3.015% on a parent-specimen-separated test set. For targets admitting multiple accepted solutions, inverse-designed candidates retain a median response NRMSE of 0.0358 while exhibiting a median pairwise structural distance of 0.2328, demonstrating non-trivial one-to-many design. Finite-element analyses and compression tests on additively manufactured architectures across three aluminium-alloy systems further confirm physical realizability. These results establish full-response conditioning as a practical route for designing real disordered porous materials beyond predefined unit cells.

npj Computational Materials
Lingnan University (HK), City University of Hong Kong (HK), Shenzhen University of Advanced Technology (CN), Delft University of Technology (NL), Nanjing University of Aeronautics and Astronautics (CN)
National Natural Science Foundation of China, Fundamental Research Funds for the Central Universities
Openalex Percentile: Top 22%
Cellular and Composite Structures
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.