March 29, 2024

Without a map, it can be just about impossible to know not just where you are, but where you’re going, and that’s especially true when it comes to materials properties.

For decades, scientists have understood that while bulk materials behave in certain ways, those rules can break down for materials at the micro- and nano-scales, and often in surprising ways. One of those surprises was the finding that, for some materials, applying even modest strains — a concept known as elastic strain engineering — on materials can dramatically improve certain properties, provided those strains stay elastic and do not relax away by plasticity, fracture, or phase transformations. Micro- and nano-scale materials are especially good at holding applied strains in the elastic form.

Precisely how to apply those elastic strains (or equivalently, residual stress) to achieve certain material properties, however, had been less clear — until recently.

Using a combination of first principles calculations and machine learning, a team of MIT researchers has developed the first-ever map of how to tune crystalline materials to produce specific thermal and electronic properties.

Complete article from MIT News.