Author

Rohan Mishra

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Preprint Sep 2026

First-principles-based Prediction of Phase Fields: Part I. Binary and Ternary Refractory Alloys

Multiple principal element alloys (MPEAs) exhibit complex phase equilibria involving multinary solid solutions and intermetallics, which makes it challenging to predict their temperature-composition phase diagrams. Their vast compositional space makes first principles methods prohibitively expensive, while CALPHAD is l...

P. Omprakash, N. Crnkovich, J. Cavin et al. · 0 citations

Preprint Aug 2026

Oxygen stoichiometry directs rutile-anatase phase selection through kinetic control of nucleation

Synthesis of a target polymorph remains more empirical than predictive because crystallization often selects the most accessible nucleation pathway rather than the thermodynamically most stable phase. Here, we show that oxygen stoichiometry converts this empirical synthesis variable into a kinetic control parameter for...

Han Lee, H. Kim, J. Kim et al. · 0 citations