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Using AI to find stiff and hard microstructures

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Using AI to find stiff and hard microstructures

Each time you easily drive from point A to point B, you are not just having fun with the convenience of your automotive, but additionally the delicate engineering that makes it protected and reliable. Beyond its comfort and protective features lies a lesser-known yet crucial aspect: the expertly optimized mechanical performance of microstructured materials. These materials, integral yet often unacknowledged, are what fortify your vehicle, ensuring durability and strength on every journey. 

Luckily, MIT Computer Science and Artificial Intelligence Laboratory (CSAIL) scientists have thought of this for you. A team of researchers moved beyond traditional trial-and-error methods to create materials with extraordinary performance through computational design. Their recent system integrates physical experiments, physics-based simulations, and neural networks to navigate the discrepancies often found between theoretical models and practical results. Some of the striking outcomes: the invention of microstructured composites — utilized in every part from cars to airplanes — which can be much tougher and sturdy, with an optimal balance of stiffness and toughness. 

“Composite design and fabrication is key to engineering. The implications of our work will hopefully extend far beyond the realm of solid mechanics. Our methodology provides a blueprint for a computational design that might be adapted to diverse fields akin to polymer chemistry, fluid dynamics, meteorology, and even robotics,” says Beichen Li, an MIT PhD student in electrical engineering and computer science, CSAIL affiliate, and lead researcher on the project.

An open-access paper on the work was published in earlier this month.

In the colourful world of materials science, atoms and molecules are like tiny architects, continuously collaborating to construct the long run of every part. Still, each element must find its perfect partner, and on this case, the main focus was on finding a balance between two critical properties of materials: stiffness and toughness. Their method involved a big design space of two sorts of base materials — one hard and brittle, the opposite soft and ductile — to explore various spatial arrangements to find optimal microstructures.

A key innovation of their approach was the usage of neural networks as surrogate models for the simulations, reducing the time and resources needed for material design. “This evolutionary algorithm, accelerated by neural networks, guides our exploration, allowing us to search out the best-performing samples efficiently,” says Li. 

Magical microstructures 

The research team began their process by crafting 3D printed photopolymers, roughly the scale of a smartphone but slimmer, and adding a small notch and a triangular cut to every. After a specialized ultraviolet light treatment, the samples were evaluated using an ordinary testing machine — the Instron 5984 —  for tensile testing to gauge strength and adaptability.

Concurrently, the study melded physical trials with sophisticated simulations. Using a high-performance computing framework, the team could predict and refine the fabric characteristics before even creating them. The most important feat, they said, was within the nuanced strategy of binding different materials at a microscopic scale — a technique involving an intricate pattern of minuscule droplets that fused rigid and pliant substances, striking the suitable balance between strength and adaptability. The simulations closely matched physical testing results, validating the general effectiveness. 

Rounding the system out was their “Neural-Network Accelerated Multi-Objective Optimization” (NMO) algorithm, for navigating the complex design landscape of microstructures, unveiling configurations that exhibited near-optimal mechanical attributes. The workflow operates like a self-correcting mechanism, continually refining predictions to align closer with reality. 

Nevertheless, the journey hasn’t been without challenges. Li highlights the difficulties in maintaining consistency in 3D printing and integrating neural network predictions, simulations, and real-world experiments into an efficient pipeline. 

As for the subsequent steps, the team is targeted on making the method more usable and scalable. Li foresees a future where labs are fully automated, minimizing human supervision and maximizing efficiency. “Our goal is to see every part, from fabrication to testing and computation, automated in an integrated lab setup,” Li concludes.

Joining Li on the paper are senior writer and MIT Professor Wojciech Matusik, in addition to Pohang University of Science and Technology Associate Professor Tae-Hyun Oh and MIT CSAIL affiliates Bolei Deng, a former postdoc and now assistant professor at Georgia Tech; Wan Shou, a former postdoc and now assistant professor at University of Arkansas; Yuanming Hu MS ’18 PhD ’21; Yiyue Luo MS ’20; and Liang Shi, an MIT graduate student in electrical engineering and computer science. The group’s research was supported, partly, by Baden Aniline and Soda Factory (BASF).

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