The precipitation and effect of topologically close-packed phases in Ni-based single crystal superalloys

J Li, J Sun, J Liu, X Sun - Journal of Materials Science & Technology, 2024 - Elsevier
The precipitation of topologically close-packed (TCP) phases is the result of microstructure
instabilities of Ni-based superalloys. This review seeks to comprehensively collate all the …

OpenCalphad-a free thermodynamic software

B Sundman, UR Kattner, M Palumbo… - Integrating Materials and …, 2015 - Springer
Thermodynamic data are essential for the understanding, develo**, and processing of
materials. The CALPHAD (Calculation of Phase Diagrams) technique has made it possible …

Applying enhanced active learning to predict formation energy

Y Zha, W Liu, J Fan, L Jiang, Y Li, XG Lu - Computational Materials Science, 2024 - Elsevier
The challenge of accurately predicting the formation energies of complex crystal structure
compounds is central to our understanding of the stability of phases and inherent …

Effect of Re and C on mechanical properties of NbTaW0. 4 refractory medium-entropy alloy at elevated temperature

H He, J Wang, Y Cao, X Yang, G Zhao, W Yang… - Journal of Alloys and …, 2023 - Elsevier
Abstract The NbTaW 0.4, Re 0.1 NbTaW 0.4, NbTaW 0.4 C 0.25 and Re 0.1 NbTaW 0.4 C
0.25 refractory medium entropy alloys (RMEAs) were fabricated by arc melting. The effect of …

The implementation of an algorithm to calculate thermodynamic equilibria for multi-component systems with non-ideal phases in a free software

B Sundman, XG Lu, H Ohtani - Computational Materials Science, 2015 - Elsevier
Thermodynamics is a central part of materials science. Thermodynamic models provide a
unique method to combine experimental data and results from first-principles calculations in …

Stress-induced formation of TCP phases during high temperature low cycle fatigue loading of the single-crystal Ni-base superalloy ERBO/1

C Meid, M Eggeler, P Watermeyer, A Kostka… - Acta Materialia, 2019 - Elsevier
The microstructural evolution in the single crystal Ni-base superalloy ERBO/1 (CMSX 4 type)
is investigated after load controlled low cycle fatigue (LCF) at 950° C (load-ratio: 0.6, tensile …

First-principles-only CALPHAD phase diagram of the solid aluminium-nickel (Al-Ni) system

T Davey, ND Tran, A Saengdee**g, Y Chen - Calphad, 2020 - Elsevier
Phase diagrams obtained from first-principles have the potential to reduce time and expense
by guiding experimental investigations for materials design applications. However, simply …

Topologically close-packed phases in binary transition-metal compounds: matching high-throughput ab initio calculations to an empirical structure map

T Hammerschmidt, AF Bialon, DG Pettifor… - New Journal of …, 2013 - iopscience.iop.org
In steels and single-crystal superalloys the control of the formation of topologically close-
packed (TCP) phases is critical for the performance of the material. The structural stability of …

Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (σ) Phase in the Co-Cr-Ni-Re System

JCP Dos Santos, S Griesemer, N Dupin… - Journal of Phase …, 2024 - Springer
Abstract Proper descriptions of Topologically Closed-Packed (TCP) phases in
thermodynamic databases are essential to adequately design new alloys. Thus, the recently …

Hydrogen sorption in the LaNi5-xAlx-H system (0≤ x≤ 1)

ER Pinatel, M Palumbo, F Massimino, P Rizzi… - Intermetallics, 2015 - Elsevier
A thermodynamic assessment of hydrogen sorption in LaNi 5-x Al xH (0≤ x≤ 1) alloys was
performed combining experimental and theoretical investigations. The occurrence of sloped …