Award Abstract # 2119643
DMREF/Collaborative Research: Inverse Design of Architected Materials with Prescribed Behaviors via Graph Based Networks and Additive Manufacturing

NSF Org: CMMI
Division of Civil, Mechanical, and Manufacturing Innovation
Recipient: UNIVERSITY OF CALIFORNIA, LOS ANGELES
Initial Amendment Date: August 20, 2021
Latest Amendment Date: August 20, 2021
Award Number: 2119643
Award Instrument: Standard Grant
Program Manager: Siddiq Qidwai
sqidwai@nsf.gov
 (703)292-2211
CMMI
 Division of Civil, Mechanical, and Manufacturing Innovation
ENG
 Directorate for Engineering
Start Date: January 1, 2022
End Date: May 31, 2025 (Estimated)
Total Intended Award Amount: $1,428,383.00
Total Awarded Amount to Date: $1,428,383.00
Funds Obligated to Date: FY 2021 = $1,090,804.00
History of Investigator:
  • Xiaoyu Zheng (Principal Investigator)
    rayne23@berkeley.edu
  • Wei Wang (Co-Principal Investigator)
  • Yizhou Sun (Co-Principal Investigator)
  • Mathieu Bauchy (Co-Principal Investigator)
Recipient Sponsored Research Office: University of California-Los Angeles
10889 WILSHIRE BLVD STE 700
LOS ANGELES
CA  US  90024-4200
(310)794-0102
Sponsor Congressional District: 36
Primary Place of Performance: University of California-Los Angeles
CA  US  90095-1406
Primary Place of Performance
Congressional District:
36
Unique Entity Identifier (UEI): RN64EPNH8JC6
Parent UEI:
NSF Program(s): DMREF
Primary Program Source: 01002122DB NSF RESEARCH & RELATED ACTIVIT
Program Reference Code(s): 024E, 054Z, 094Z, 095Z, 8037, 8400, 9263, MANU
Program Element Code(s): 829200
Award Agency Code: 4900
Fund Agency Code: 4900
Assistance Listing Number(s): 47.041

ABSTRACT

A material's force-displacement response, modal response, and wave transmission and absorption response to dynamic loadings, all can be construed as its characteristic fingerprints. The behaviors of materials under dynamic loads that are applied within a fraction of a second remain poorly understood due to the complex, nonlinear interplay between material microstructure, geometry, and applied load. The complexity increases manifold for architected materials, in which topological considerations are paramount to achieve specific responses or functions. Consequently, methodical design of architected materials with optimal dynamic fingerprints is a challenge that has not been adequately addressed. By seamlessly integrating advances in graph network theory, machine learning, numerical simulations, and high-speed additive manufacturing approaches, this Designing Materials to Revolutionize and Engineer our Future (DMREF) award will accelerate the understanding, inverse design, and fabrication of architected materials with tailorable dynamic fingerprints. The outcome will be materials with inversely designed three-dimensional micro-architectures fabricated via desktop additive manufacturing with prescribed behaviors, such as impact shielding and wave transmission. Applications include energy and shock absorption, acoustic wave filtering, stretchable electronics, and other multifunctional material systems. The project will also train graduate and undergraduate students in the new paradigm of autonomous inverse design and additive manufacturing based on desired behaviors. Moreover, demonstration modules, design games, and additive printing activities will be used for outreach to K-12 students.

This project will extend graph-based generative machine learning modeling techniques to identify the underlying motifs within architected materials to understand their dynamic behaviors as well as provide an inverse design framework for optimized functional responses. The first step is to develop a graph space model to represent an arbitrary architected material composed of an arbitrarily complex 3D micro-architecture, by size, scale, hierarchy, lattice topology, and material attributes. The next step involves obtaining high-fidelity experimental data and higher-order simulation data with large amounts of lower-order experimental data to accelerate the training and discovery process. A forward graph-based machine learning model will be trained on the combined data for functional response prediction. Lastly, the graph neural network with reinforcement learning will be used to generate graphs with the desired properties based on the forward predictive model. This extensive and experimentally validated framework will be used to discover fundamental knowledge pertaining to structural and dynamic characteristics, which will then be leveraged to inversely design materials with prescribed dynamic fingerprint.

This project is co-funded by the Division of Civil, Mechanical and Manufacturing Innovation (CMMI) in the Directorate for Engineering (ENG) and the Division of Information and Intelligent Systems (IIS) in the Directorate for Computer and Information Science and Engineering (CISE).

This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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Ha, Chan Soo and Yao, Desheng and Xu, Zhenpeng and Liu, Chenang and Liu, Han and Elkins, Daniel and Kile, Matthew and Deshpande, Vikram and Kong, Zhenyu and Bauchy, Mathieu and Zheng, Xiaoyu "Rapid inverse design of metamaterials based on prescribed mechanical behavior through machine learning" Nature Communications , v.14 , 2023 https://doi.org/10.1038/s41467-023-40854-1 Citation Details
Li, Haoyu and Zhang, Shichang and Tang, Longwen and Bauchy, Mathieu and Sun, Yizhou "Predicting and Interpreting Energy Barriers of Metallic Glasses with Graph Neural Networks" , 2024 Citation Details
Liu, Han and Li, Liantang and Wei, Zhenhua and Smedskjaer, Morten M. and Zheng, Xiaoyu Rayne and Bauchy, Mathieu "De Novo Atomistic Discovery of Disordered Mechanical Metamaterials by Machine Learning" Advanced Science , 2024 https://doi.org/10.1002/advs.202304834 Citation Details
Luo, Xiao and Gu, Yiyang and Jiang, Huiyu and Zhou, Hang and Huang, Jinsheng and Ju, Wei and Xiao, Zhiping and Zhang, Ming and Sun, Yizhou "PGODE: Towards High-quality System Dynamics Modeling" , 2024 Citation Details
Ritchie, Robert O. and Zheng, Xiaoyu Rayne "Growing designability in structural materials" Nature Materials , v.21 , 2022 https://doi.org/10.1038/s41563-022-01336-9 Citation Details

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