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Data-Driven Configuration of Far-from-Equilibrium Crystallization in Aqueous Media

The proposed closed-loop workflow for studying far-from-equilibrium electrochemical crystallization. Operando characterization tracks real-time changes, physics-based simulation reveals interfacial mechanisms, high-throughput electrochemistry generates datasets, and ML/AI identifies patterns and guides the next experiments.

Zn dendrite growth mode is strongly controlled by both additive chain length and concentration. Operando images map a clear transition from continuous growth (CG), with a few fast, anisotropic dendrites, to independent nucleation (IN), with many smaller and less correlated crystallites. DFT simulations support this trend by showing that additive molecules can interact with Zn surface species at the interface, helping explain how molecular-scale adsorption influences macroscopic growth behavior under far-from-equilibrium conditions.
Zn dendrite growth mode is strongly controlled by both additive chain length and concentration. Operando images map a clear transition from continuous growth (CG), with a few fast, anisotropic dendrites, to independent nucleation (IN), with many smaller and less correlated crystallites. DFT simulations support this trend by showing that additive molecules can interact with Zn surface species at the interface, helping explain how molecular-scale adsorption influences macroscopic growth behavior under far-from-equilibrium conditions.
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Center for Dynamics and Control of Materials

This MRSEC brings together researchers from across science and engineering to create materials with new atomic-scale structures and functionalities, and to develop approaches for actively controlling and reconfiguring materials in real time.