Machine learning enables the discovery of 2D Invar and | ResearchBunny

Index

Abstract

This work identifies in-plane tensile stiffness and out-of-plane bending stiffness as effective descriptors for classifying positive and negative thermal expansion in 2D crystals. Using high-throughput calculations and symbolic regression, these descriptors facilitated the discovery of 2D Invar monolayers (zero thermal expansion) and 2D anti-Invar monolayers (extremely high positive or negative thermal expansion). This research is significant for advancing next-generation nanoscale electronics.

Publisher

Nature Communications

Published On

Aug 14, 2024

Authors

Shun Tian, Ke Zhou, Wanjian Yin, Yilun Liu

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