Computational thermodynamics and its applications

ZK Liu - Acta Materialia, 2020 - Elsevier
Thermodynamics is a science concerning the state of a system, whether it is stable,
metastable or unstable, when interacting with the surroundings. In this overview …

Thermodynamic re-assessment of the Al-Co-W system

P Wang, W **ong, UR Kattner, CE Campbell, EA Lass… - Calphad, 2017 - Elsevier
Abstract The Al-Co-W system and its binary sub-systems Al-Co, Al-W and Co-W were
critically reviewed. The thermodynamic description of the Al-Co-W system including all three …

On phase stability of Mo-Nb-Ta-W refractory high entropy alloys

E Zhang, Y Tang, M Wen, A Obaied… - International Journal of …, 2022 - Elsevier
Refractory high entropy alloys (RHEAs) emerge as promising candidate materials for
ultrahigh-temperature applications. Accurate phase stability is the prerequisite for design of …

Application of computational thermodynamics to the design of a Co-Ni-based γ′-strengthened superalloy

EA Lass - Metallurgical and Materials Transactions A, 2017 - Springer
A currently available commercial Calphad thermodynamic database was utilized to
investigate its applicability to alloy design in the new class of Co-Ni-based γ′-strengthened …

Thermodynamic database for multi-principal element alloys within the system Al–Co–Cr–Fe–Mn–Ni–C

B Hallstedt, M Noori, F Kies, F Oppermann, C Haase - Calphad, 2023 - Elsevier
The development of multi-principal element alloys requires the navigation within a multi-
dimensional composition space, which has proven to be challenging. Various methods to …

Critical evaluation and thermodynamic modeling of the Al-Co-Fe system

M Ostrowska, G Cacciamani - Journal of Alloys and Compounds, 2019 - Elsevier
An understanding of the thermodynamic and phase diagram data for the Al-Co-Fe system is
essential for Co-based superalloys as well as high entropy alloys. In this study a …

Modeling of thermal vacancies in metals within the framework of the compound energy formalism

P Franke - Journal of phase equilibria and diffusion, 2014 - Springer
The thermodynamics of thermal vacancies in pure metals is analyzed within the compound
energy formalism. It is shown that depending on the choice of the compound energy of the …

Effect of thermal vacancy on thermodynamic behaviors in BCC W close to melting point: A thermodynamic study

Y Tang, L Zhang - Materials, 2018 - mdpi.com
As temperature increases, the thermal vacancy concentration in pure metals dramatically
increases and causes some strongly non-linear thermodynamic behaviors in pure metals …

[HTML][HTML] Thermodynamic modelling of the Al–Co–Mn system

M Noori, B Hallstedt - Calphad, 2020 - Elsevier
In the present work, the Al–Co–Mn ternary system is thermodynamically modelled using the
Calphad approach. In the modelling, experimental data such as liquidus, solidus, tie lines …

[HTML][HTML] Thermodynamic modelling of vacancies as a constituent

J Ågren, M Hillert - Calphad, 2019 - Elsevier
The role of vacancies in thermodynamic models based on the compound energy formalism,
CEF, is studied by application to a binary phase with two sublattices where the two …