151 citations · 402 across the 4 of their papers we have counts for
4 papers
First-principles study of ternary fcc solution phases from special quasirandom structures
Dongwon Shin, Axel van de Walle, Yi Wang +1
In the present work, ternary Special Quasirandom Structures (SQSs) for a fcc solid solution phase are generated at different compositions, and $x_A=\tfra…
Phase stability of hafnium oxide and zirconium oxide on silicon substrate
Dongwon Shin, Zi-Kui Liu
Phase stabilities of Hf-Si-O and Zr-Si-O have been studied with first-principles and thermodynamic modeling. From the obtained thermodynamic descriptions, phase diagrams pertinent…
Thermodynamic modeling of the Hf-Si-O system
Dongwon Shin, Raymundo Arróyave, Zi-Kui Liu
The Hf-O system has been modeled by combining existing experimental data and first-principles calculations results through the CALPHAD approach. Special quasirandom structures of $…
Thermodynamic properties of binary HCP solution phases from special quasirandom structures
Dongwon Shin, Raymundo Arróyave, Zi-Kui Liu +1
Three different special quasirandom structures (SQS) of the substitutional hcp binary random solutions (, 0.5, and 0.75) are presented. These structures are ab…