Crystal chemistry and Calphad modeling of the σ phase

JM Joubert - Progress in Materials Science, 2008 - Elsevier
A systematic review of the crystal chemical properties of the σ phase is presented, with
special emphasis on the atomic order, ie the distribution of the atoms on the different sites of …

A review of Calphad modeling of ordered phases

B Sundman, Q Chen, Y Du - Journal of Phase Equilibria and Diffusion, 2018 - Springer
The models used in Calphad to describe long and short range ordering in multicomponent
alloys have improved significantly over the last 20 years. For long range ordering the …

A thermodynamic database for Ni‐base superalloys

N Dupin, B Sundman - Scandinavian journal of metallurgy, 2001 - Wiley Online Library
A thermodynamic database has been developed for Ni‐base superalloys. Following the
CALPHAD procedure, it is based on the assessment of thermodynamic behaviour of the …

Thermodynamic assessment of the Co–Cr–Ni, Co–Cr–W and Co–Ni–W

P Wang, B Hu, X Huang, C Zheng - Calphad, 2021 - Elsevier
The thermodynamic description of the Co–Cr–Ni, Co–Cr–W and Co–Ni–W systems is the
basis of material design for Co-WC cutting tools and superalloys. A common feature of the …

Some guidelines for thermodynamic optimisation of phase diagrams

KCH Kumar, P Wollants - Journal of alloys and compounds, 2001 - Elsevier
Thermodynamic optimisation of phase diagrams is a procedure that requires considerable
experience and skill. The purpose of this article is to furnish certain guidelines that might …

Update of thermodynamic descriptions of the binary Al-Sn and ternary Mg-Al-Sn systems

T Cheng, Y Tang, L Zhang - Calphad, 2019 - Elsevier
In this paper, the thermodynamic descriptions of the binary Al-Sn and ternary Mg-Al-Sn
systems were updated by using the CALculation of PHAse Diagram (CALPHAD) approach …

Focused development of magnesium alloys using the calphad approach

R Schmid‐Fetzer, J Gröbner - Advanced engineering materials, 2001 - Wiley Online Library
In traditional alloy development, experimental investigations with many different alloy
compositions are performed. The selection criteria for multicomponent alloying elements …

Thermodynamic assessment of the Al–Cu–Zn system, part III: Al–Cu–Zn ternary system

SM Liang, R Schmid-Fetzer - Calphad, 2016 - Elsevier
A comprehensive thermodynamic reassessment of the Al–Cu–Zn system is elaborated
covering the complete ternary composition range and compared with all presently available …

An insight into using DFT data for Calphad modeling of solid phases in the third generation of Calphad databases, a case study for Al

S Bigdeli, LF Zhu, A Glensk, B Grabowski, B Lindahl… - Calphad, 2019 - Elsevier
In developing the next generation of Calphad databases, new models are used in which
each term contributing to the Gibbs energy has a physical meaning. To continue the …

A third generation CalPhaD assessment of the Fe–Mn–Ti system part I: the binary subsystems Fe–Mn, Fe–Ti and Mn–Ti

A Walnsch, A Leineweber, MJ Kriegel - Calphad, 2023 - Elsevier
Abstract The binary systems Fe–Mn, Fe–Ti and Mn–Ti play remarkable roles in the
development of numerous structural and functional materials. As their properties are closely …