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WEB Thermodynamic assessment and modelling of interactions in liquid Ni alloys/oxide systems

Thursday (28.05.2020)
13:15 - 13:15 Poster Room
Part of:
- Poster *web*Simulation of Spinning Processes with Experimental Validation 1 Stefan Hermanns
- Poster *web*Screening Solubility-Enhancing Coformers in Amorphous Solid Dispersions: a Group Contribution based Miscibility Method 1 Milad Asgarpour Khansary
- Poster *web*Thermal emission of colloid-based plasmonic structures for radiative cooling 1 Kishin Matsumori
- Poster *web*Free energies of segregation: thermodynamic integration at grain boundaries using pyiron 1 Dr. Liam Huber
- Poster *web*Effective mobility of BCC dislocations in two-dimensional discrete dislocation plasticity 1 Tarun Katiyar
- Poster *web*Parallelizable electrocatalytic oxygen evolution reactions on metal phosphides 1 Seulgi Ji
- Poster *web*Computer Aided Reliability by additive manufacturing of components with locally varied properties 1 Dr. Iliya Radulov
- Poster *web*Numerical Study of Solidification in Metallic Droplet 1 Dandan Yao
- Poster TBA -
- Poster TBA -
- Poster *web*Investigation of hexagonal beryllium grain boundaries under irradiation with atomistic modelling and simulation 1 Dipl.-Ing. Thomas Le Crane
- Poster TBA -
- Poster *web*Thermodynamic assessment and modelling of interactions in liquid Ni alloys/oxide systems 1 Saverio Sitzia
- Poster *web*The limiting effect of interfacial band alignment on efficiency of earth-abundant chalcogenide photovoltaic materials 1 Dr. Elaheh Ghorbani
- Poster *web*HMC hub matter for as a resource for materials research in the German research landscape 1 Dr. Oonagh Mannix
- Poster *web*Nanoindentation of Al: Molecular dynamics simulations and dislocation dynamics simulations 1 Sa-Ly Dang
- Poster *web*Rational Design of Metal Anchored Carbon Quantum Dots as Optimal Efficient Electrocatalysts for Hydrogen production Using Machine Learning and High-throughput Experimentation 1 Yujin Chae
- Poster *web*Correlating Raman Spectra of Ibuprofen, Nicotinamide and Their Dimers 1 Milad Asgarpour Khansary
- Poster *web*High Throughput Screening for Electrochemical Nitrogen Reduction for the Ammonia Synthesis via Machine Learning 1 JaeHyoung Lim
- Poster Thermodynamic investigation of oxidation behavior of NiAl intermetallics with embedded Cr and Mo 1 Golnar Geramifard

Session -M: Modelling, Simulation, and Data
Belongs to:
Topic X: Poster Session

Information about the high temperature interactions between liquid alloys and refractory oxide materials is of practical importance in view of the investment casting processes of Ni based superalloys where the contact between molten alloys and the ceramic materials used as cores or shells occurs. Such information may be obtained experimentally from specific wetting tests followed by microstructural and microchemical characterization. At the same time, the thermodynamic modeling by CALPHAD of the reactivity in alloys-oxides systems allows to interpret the experimental findings, to foresee the interfacial reactivity and to perform extrapolations toward non-studied domains of temperature or composition.

These are the topics of the project INSURFCAST (INnovative SURFaces for superalloys CASTing processes).

In this work, a thermodynamic database has been developed and calculations have been done successfully in order to improve our understanding of the interactions in liquid Ni alloys/oxide systems. The phase diagrams obtained by CALPHAD were used to interpret the microstructures of metal/ceramic samples that were characterized after sessile-drop wetting tests of liquid NiHf and NiCrHf alloys in contact to Al2O3 at 1500 °C. Hf present in Ni-based liquid alloys strongly reacted with sapphire forming HfO2 layers and inclusions; on the other hand, Cr decreased the contact angles of Ni melts without forming interfacial layers during liquid/solid contact.

These results can have an importance that goes beyond the casting industry, as they can be helpful in the design of advanced metal-ceramic brazing processes, production of Metal Matrix-Composites as well as of coatings for high temperature applications.


This work is part of the Project INSURFCAST financed within the ERA-LEARN 2020 support action funded by EU-H2020, M-ERA.NET Joint Call 2016, Project 4164.


Saverio Sitzia
Università degli Studi di Genova
Additional Authors:
  • Dr. Fabrizio Valenza
  • Dr. Maria Luigia Muolo
  • Dr. Alberto Passerone
  • Dr. Natalia Sobczak
    Foundry Research Institute
  • Prof. Gabriele Cacciamani
    Univeristy of Genoa