Prediction of grain boundary chemistry in multicomponent Mo alloys with coupled precipitation and segregation kinetics simulations

Daniel Scheiber, Erwin Povoden-Karadeniz, Ernst Kozeschnik, Lorenz Romaner

Publikation: Beitrag in FachzeitschriftArtikelForschungBegutachtung

Abstract

Simulations are carried out to predict the amount of dissolved solute contents in multi-component Mo-based alloys containing Hf, Ti, C and O during and after a model thermo-mechanical treatment. The results are used to model the amounts of C, O and Hf in grain boundaries after heat treatment with concurrent precipitation in the corresponding alloys and to correlate this to measured atom probe tomography data of grain boundary enrichment. Our unique combinatory approach that considers precipitation and segregation at the same time allows for successful prediction of grain boundary enrichment.

OriginalspracheEnglisch
Aufsatznummer117482
Seitenumfang8
FachzeitschriftActa materialia
Jahrgang224.2022
Ausgabenummer1 February
Frühes Online-Datum24 Nov. 2021
DOIs
PublikationsstatusVeröffentlicht - 1 Feb. 2022

Bibliographische Notiz

Funding Information:
The authors gratefully acknowledge the financial support under the scope of the COMET program within the K2 Center ?Integrated Computational Material, Process and Product Engineering (IC-MPPE)? (Project No 859480). This program is supported by the Austrian Federal Ministries for Climate Action, Environment, Energy, Mobility, Innovation and Technology (BMK) and for Digital and Economic Affairs (BMDW), represented by the Austrian research funding association (FFG), and the federal states of Styria, Upper Austria and Tyrol. E. Povoden-Karadeniz further likes to thank the financial support by the Austrian Federal Ministry for Digital and Economic Affairs and the National Foundation for Research, Technology and Development.

Funding Information:
E. Povoden-Karadeniz further likes to thank the financial support by the Austrian Federal Ministry for Digital and Economic Affairs and the National Foundation for Research, Technology and Development.

Funding Information:
The authors gratefully acknowledge the financial support under the scope of the COMET program within the K2 Center “Integrated Computational Material, Process and Product Engineering (IC-MPPE)” (Project No 859480). This program is supported by the Austrian Federal Ministries for Climate Action, Environment, Energy, Mobility, Innovation and Technology (BMK) and for Digital and Economic Affairs (BMDW), represented by the Austrian research funding association (FFG), and the federal states of Styria, Upper Austria and Tyrol.

Publisher Copyright:
© 2021 Acta Materialia Inc.

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