predict phase transitions

What Challenges Exist in Predicting Phase Transitions?

Despite advancements, several challenges remain:
Size Effects: The properties of nanoparticles can differ significantly from their bulk counterparts, complicating predictions.
Surface Interactions: At the nanoscale, surface atoms play a significant role, and their interactions can lead to unexpected phase behaviors.
Computational Limitations: High computational power is required for simulations, and approximations may sometimes lead to inaccuracies.
Material Complexity: Complex materials with multiple components or phases can be challenging to model accurately.

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