2 . -Moderate enantioselectivity values are observed in the epoxidation reactions of several olefins under optimized conditions. The enantioselectivities are slightly improved when a more sterically hindered catalyst is used. Besides the green protocol, another important feature of this procedure is the stability of the epoxides under these conditions. The epoxidation of cis-β-methylstyrene (III) yields the cis-β-methylstyrene oxide (IV) with 47% enantiomeric excess. However, a large amount of trans-epoxide is also produced. -(GAO, C.; SHIN, W.; HAN, J.; HAN, D.; CHARI, M. A.; KIM, H.; AHN*, K.-H.; Bull. Korean Chem.
The effects of inhomogeneous elasticity and dislocation on the microstructure evolution of α′ precipitate in a Fe-Cr system was investigated using a Computer Coupling of Phase Diagrams and Thermochemistry (CALPHAD)-type free energy incorporated phase-field method. In order to simulate the precipitation behavior by phase-field modeling in consideration of inhomogeneous elasticity, a Multiphysics Object-Oriented Simulation Environment (MOOSE) framework was used, which makes it easy to use powerful numerical means such as parallel computing and finite element method (FEM) solver. The effect of inhomogeneous elasticity due to the compositional inhomogeneity or the presence of dislocations affects the thermodynamic properties of the system was investigated, such as the lowest Cr concentration at which spinodal decomposition occurs. The effect of inhomogeneous elasticity on phase separation kinetics is also studied. Finally, we analyzed how inhomogeneous elasticity caused by compositional fluctuation or dislocation affects microstructure characteristics such as ratio between maximum precipitate size with respect to the average on early stage and later stage, respectively.
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