Cutting-Edge Theoretical Studies

Dive into peer-reviewed articles on DFT simulations, reaction mechanisms, and ab initio calculations shaping modern chemical science.

Research Articles

When Copper Turns Brittle: The Hidden Dance of Defects and the Ductile-to-Brittle Transition

Exploring how atomic defects influence the ductile-to-brittle transition in copper and other metals

Abigail Russell
Aug 10, 2025

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