Advancing density functional theory to finite temperatures: methods and applications in steel design

T Hickel, B Grabowski, F Körmann… - Journal of Physics …, 2011 - iopscience.iop.org
The performance of materials such as steels, their high strength and formability, is based on
an impressive variety of competing mechanisms on the microscopic/atomic scale (eg …

Co-Zr (Cobalt-Zirconium)

H Okamoto - Journal of Phase Equilibria and Diffusion, 2011 - Springer
The Co-Zr phase diagram in [Massalski2] was redrawn from [1964Pec]. Five intermediate
phases were shown in this phase diagram. Another experimental Co-Zr phase diagram with …

Experimental study of phase equilibria in Y–Co–Zr system at 600° C and 800° C

X Liu, J Wang, QR Yao, YS Du, LG Zhang, GH Rao… - Calphad, 2024 - Elsevier
Phase equilibria of the Y–Co–Zr ternary system at 600° C and 800° C were studied for the
first time using the diffusion couple technique and equilibrium alloy method with electron …

Study on the γ+ γ′ microstructure characterization of the Co–V–Zr system based on CALPHAD method

J Sun, C Guo, C Li, Z Du - Calphad, 2024 - Elsevier
The γ+ γ′ microstructure in novel Co-based superalloys is often obtained by means of
alloying method. Therefore, this study focuses on exploring the evolution of the γ+ γ …

New criteria for predicting compositions with high glass-forming ability in Zr–Co–Al alloys

AV Maiorova, TV Kulikova, AS Bykov - Journal of Non-Crystalline Solids, 2022 - Elsevier
We show that the widespread parameters P HS, P HSS and δ related with mixing enthalpy,
mismatch entropy, configurational entropy and atom size difference do not provide proper …

Experimental Determination of the Isothermal Sections and Liquidus Surface Projection of the Co–V–Zr System

J Sun, C Guo, C Li, Z Du - Metallurgical and Materials Transactions A, 2024 - Springer
The construction of the experimental liquidus surface projection and isothermal sections of
the Co–V–Zr ternary system was based on the analyses of solidification microstructures and …

Thermodynamic considerations of contamination by alloying elements of remelted end-of-life nickel-and cobalt-based superalloys

X Lu, K Matsubae, K Nakajima, S Nakamura… - … Materials Transactions B, 2016 - Springer
Cobalt and nickel are high-value commodity metals and are mostly used in the form of highly
alloyed materials. The alloying elements used may cause contamination problems during …

Second nearest-neighbor modified embedded-atom method interatomic potentials for the Zr-X (X= Co, Fe, Ni) binary alloys

AO Moghaddam, R Fereidonnejad, M Moaddeli… - Computational Materials …, 2025 - Elsevier
The second nearest-neighbor modified embedded-atom method (2NN-MEAM) interatomic
potentials were developed for Zr-X (X= Co, Fe, Ni) binary alloys. The structural, mechanical …

Experimental Determination of Phase Equilibria in the La-Co-Zr System

TB Li, XY Liu, WF Cheng, C Tan, QR Yao… - Journal of Phase …, 2024 - Springer
The phase equilibria of the La-Co-Zr ternary system at 873 K and 1073 K were studied for
the first time using equilibrated alloys employing scanning electron microscopy with energy …

Experimental determination of phase equilibria in the Ce-Co-Zr ternary system

XP Zheng, X Liu, SY Yang, J Wang, QR Yao… - Journal of Phase …, 2023 - Springer
The phase equilibria of the Ce-Co-Zr ternary system at 873 and 1073 K were determined for
the first time by using equilibrated alloys in combination with scanning electron microscopy …