A better way to model the behavior of metal alloys

Companies working at the frontier of aerospace, energy, and computing are constantly looking for new materials to improve performance. But in order to understand how those materials will actually behave once they’re inside rockets or on computer chips, companies first have to make the material and then test it. That’s because even the most powerful simulation techniques struggle to model the complex chemical arrangements in most of today’s solid materials. The problem adds costs and time to materials innovation.

Now a team of MIT researchers has created a way to accurately model the behavior of metals, regardless of the complexity of their chemical arrangement. At the center of the approach are machine-learning models that make simulations of materials faster and more accurate. The researchers improved those models by building training datasets that capture the diversity of atomic environments in chemically disordered materials.

In a new paper in Sciences Advances,...

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