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Fundamental creep modelling of HR3C steel integrating first-principles and thermodynamic calculations
Hangzhou Dianzi Univ, Coll Mat & Environm Engn, Int Ctr Creep Predict, Hangzhou 310018, Peoples R China.
China Univ Min & Technol, Sch Mat Sci & Phys, Xuzhou 221008, Peoples R China.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Properties.ORCID iD: 0000-0002-8494-3983
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Properties.ORCID iD: 0000-0002-9920-5393
2025 (English)In: Materials at High Temperature, ISSN 0960-3409, E-ISSN 1878-6413, Vol. 42, no 5-6, p. 345-356Article in journal (Refereed) Published
Abstract [en]

Reliable long-term creep rupture life prediction of high-temperature materials demands a deep understanding of rupture-controlling mechanisms. Conventional analytical models for creep rupture extrapolation rely heavily on experimental data and adjustable parameters, potentially neglecting the critical failure mechanisms. This study employs fundamental creep models for HR3C(25Cr20NiNbN) austenitic steels, incorporating ductile and brittle creep mechanisms with well-defined physical parameters and no adjustable parameters. The ductile creep models account for dislocation hardening, precipitation hardening, solid solution hardening, and stacking faults, while the brittle creep models in addition consider creep cavitation along sliding grain boundaries. Key physical parameters are derived as follows: precipitate evolution is simulated using thermodynamic computations and validated against experiments, while high-temperature elastic properties and atomic-size misfit are determined through first-principles calculations, with lattice vibrations incorporated via the quasi-harmonic Debye model. By combining first-principles and thermodynamic calculations, the mechanism-based fundamental models successfully predict the creep rupture strength of HR3C quantitatively.

Place, publisher, year, edition, pages
Informa UK Limited , 2025. Vol. 42, no 5-6, p. 345-356
Keywords [en]
Creep models, first-principles calculations, austenitic stainless steels, fundamental models
National Category
Metallurgy and Metallic Materials
Identifiers
URN: urn:nbn:se:kth:diva-375105DOI: 10.1080/09603409.2025.2582233ISI: 001605624600001Scopus ID: 2-s2.0-105020706522OAI: oai:DiVA.org:kth-375105DiVA, id: diva2:2026642
Note

QC 20260109

Available from: 2026-01-09 Created: 2026-01-09 Last updated: 2026-01-09Bibliographically approved

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Sandström, RolfKorzhavyi, Pavel A.

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