High-throughput thermodynamic computation and experimental study of solid-state phase transitions in organic multicomponent orientationally disordered phase …

R Shi, D Chandra, WM Chien, J Wang - Calphad, 2019 - Elsevier
Understanding the behavior of solid-solid phase transformation in phase change materials
is crucial to design advanced thermal energy storage materials. It is however challenging to
study the complex solid-solid phase transition and predict the optimal composition with
reliable performances (such as high energy storage at invariant phase transition
temperature) in multi-component systems based on traditional empirical rules. Therefore, the
high-throughput computational framework by coupling thermodynamic calculation via …
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