3 papers
cond-mat.mtrl-sci2026
Origin of the reaction temperature in solid-state materials synthesis
Shibo Tan, Gabrielle E. Kamm, Alex Stangel +12
Temperature plays a crucial role in solid-state materials synthesis, but there is currently no mechanistic theory to explain or predict which temperature is best to conduct a solid…
cond-mat.mtrl-sci2026
Time-Temperature-Transformation (TTT) Diagrams to rationalize the nucleation and quenchability of metastable -LiPS
Akira Miura, Woohyeon Baek, Yuta Fujii +12
-LiPS is a promising solid-state electrolyte with the highest ionic conductivity among its polymorphs. However, its formation presents a thermodynamic paradox: the -p…
cond-mat.mtrl-sci2024
Quasicrystal bulk and surface energies from density functional theory
Woohyeon Baek, Sambit Das, Shibo Tan +2
Are quasicrystals stable or metastable? Density functional theory (DFT) is often used to evaluate thermodynamic stability, but quasicrystals are long-range aperiodic and their ener…