AI: New developments in material science


A traditional laboratory method has been used by materials science to define and discover new composite materials from scratch. New materials were developed by days-long experiments with various components and a great deal of study. Artificial intelligence’s emergence has influenced the discovery of new technologies such as metallic glass. The rapid discovery of metallic glasses by machine learning and high throughput experiments is discussed in an article published in Science Advances.
To provide fresh recipes or combinations for creating new materials, AI algorithms may predict the components from the current database and repetitive research. In mining data from research materials and papers, machine learning systems can be used to extract names or sentences relevant to material discovery, combine them, and provide insights into new material combinations.
The MIT study notes that a team of researchers at MIT, the University of Massachusetts, and the University of California aims to close the automation gap in materials science with a new artificial intelligence system that would pore over research papers to deduce ‘recipes’ for specific materials production.
To conclude, these machine learning systems use supervised, unsupervised, and semi-supervised algorithms. A trained dataset that is used to create relationships will be fed to the supervised algorithm, while the unsupervised algorithm will not have any trained data sets and interesting data structures are left to be uncovered. Using AI and machine learning to discover materials, new alloys can be produced at a much faster rate and the problem of limited composite material resources such as steel can be solved.
An article in The Verge quotes Chris Wolverton, a Northwestern University materials scientist who states, “We do material quantum mechanical-level calculations, calculations sophisticated enough that we can predict on a computer the properties of a possible new material before it is ever made in a laboratory.”
The modern way of conducting scientific experiments is a scenario where scientists will input data containing the properties of existing materials into the AI systems and obtain results for new materials. Instead of conducting physical tests, these AI algorithms use virtual calculations and computations. Later, to build new composite materials, scientists will use the guidance given by the device.
A paper published by the University of Cambridge examines and explores recent applications in the prediction of mechanical properties of composite materials using machine learning and also the role of ML in the design of composite materials with desired properties. In the field of research, the wide variety of AI applications and machine learning algorithm capabilities to evaluate massive chunks of data would assist in more nascent discoveries.

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