4 papers · 1 filter
First-principles-based Prediction of Phase Fields: Part I. Binary and Ternary Refractory Alloys
Pravan Omprakash, Nicholas Crnkovich, John Cavin +3
Multiple principal element alloys (MPEAs) exhibit complex phase equilibria involving multinary solid solutions and intermetallics, which makes it challenging to predict their tempe…
Oxygen stoichiometry directs rutile-anatase phase selection through kinetic control of nucleation
Han Uk Lee, Hyeon Woo Kim, Ji Min Kim +3
Synthesis of a target polymorph remains more empirical than predictive because crystallization often selects the most accessible nucleation pathway rather than the thermodynamicall…
Precursor-Dependent Energetics as a Predictive Principle for Polymorph Selection in Thin Films
Hyeon Woo Kim, Han Uk Lee, Rohan Mishra +1
Vapor deposition allows for the synthesis of metastable polymorphs with unique properties, yet polymorph selection remains largely empirical due to the lack of predictive guideline…
SymPlex Plots for Visualizing Properties in High-Dimensional Alloy Spaces
John Cavin, Pravan Omprakash, Adrien Couet +1
Conventional visualization tools such as phase diagrams and convex hulls are ill-suited to visualize multiple principal element alloys (MPEAs) due to their large compositional spac…