Numerical evaluation of interface morphology and deposition
temperature effects on stress distribution and coating failure
in Cr2AlC-coated zirconium

J 2025

Numerical evaluation of interface morphology and deposition temperature effects on stress distribution and coating failure in Cr2AlC-coated zirconium

PAN, Boyu; Fuhui SHEN; Devi Janani RAMESH; Matej FEKETE; Jochen SCHNEIDER et. al.

Basic information

Original name

Numerical evaluation of interface morphology and deposition temperature effects on stress distribution and coating failure in Cr2AlC-coated zirconium

Authors

PAN, Boyu; Fuhui SHEN; Devi Janani RAMESH; Matej FEKETE (703 Slovakia, belonging to the institution); Jochen SCHNEIDER and Sebastian MÜNSTERMANN

Edition

Materials Today Communications, Elsevier Ltd. 2025, 2352-4928

Other information

Language

English

Type of outcome

Article in a journal

Field of Study

10305 Fluids and plasma physics

Country of publisher

Netherlands

Confidentiality degree

is not subject to a state or trade secret

References:

URL

Impact factor

Impact factor: 4.500 in 2024

Organization unit

Faculty of Science

DOI

https://doi.org/10.1016/j.mtcomm.2025.112422

UT WoS

001463953000001

EID Scopus

2-s2.0-105001835793

Keywords in English

Submodeling; Residual stress; Thermal-mechanical analysis; Finite element; Zirconium; MAX phase

Abstract

In the original language

This study presents a finite element simulation approach using submodels to evaluate the effects of interface morphology and high-power pulsed magnetron sputtering (HPPMS) deposition temperature on stress distribution and coating failure in Cr2AlC-coated zirconium, which is designed as the cladding tube system for nuclear power plants. For the numerical simulations, different interface morphologies of the coating system are constructed using the Gaussian distribution method. It ensures a close match between the simulations and experiments. Comparative analysis shows that rougher interfaces result in more significant stress concentrations after cooling due to mismatches between dimensions, shapes, and thermal properties. Under subsequent external loading, samples that undergo cooling fail earlier than those without experiencing cooling. In addition, for the same interface morphology, residual stress increases significantly at higher deposition temperatures, while fracture strain decreases slightly over the temperature range investigated. These findings provide a multi-scale investigation of Cr2AlC-coated zirconium systems and offer valuable insights for optimizing the coating process. By controlling substrate roughness and deposition temperature, the performance and adhesion of coated specimens can be effectively balanced. The reconstructed interface morphologies closely approximate realistic conditions, allowing standardized evaluation. The proposed method is accessible, reliable, and adaptable to various materials and coating systems.

Links

90239, large research infrastructures

Name: CEPLANT II

Cite

PAN, Boyu; Fuhui SHEN; Devi Janani RAMESH; Matej FEKETE; Jochen SCHNEIDER and Sebastian MÜNSTERMANN. Numerical evaluation of interface morphology and deposition temperature effects on stress distribution and coating failure in Cr2AlC-coated zirconium. Materials Today Communications. Elsevier Ltd., 2025, vol. 45, April, p. 1-18. ISSN 2352-4928. Available from: https://doi.org/10.1016/j.mtcomm.2025.112422.

@article{2490110,
   author = {Pan, Boyu and Shen, Fuhui and Ramesh, Devi Janani and Fekete, Matej and Schneider, Jochen and Münstermann, Sebastian},
   article_number = {April},
   doi = {https://doi.org/10.1016/j.mtcomm.2025.112422},
   keywords = {Submodeling; Residual stress; Thermal-mechanical analysis; Finite element; Zirconium; MAX phase},
   language = {eng},
   issn = {2352-4928},
   journal = {Materials Today Communications},
   title = {Numerical evaluation of interface morphology and deposition temperature effects on stress distribution and coating failure in Cr2AlC-coated zirconium},
   url = {https://doi.org/10.1016/j.mtcomm.2025.112422},
   volume = {45},
   year = {2025}
}

TY  - JOUR
ID  - 2490110
AU  - Pan, Boyu - Shen, Fuhui - Ramesh, Devi Janani - Fekete, Matej - Schneider, Jochen - Münstermann, Sebastian
PY  - 2025
TI  - Numerical evaluation of interface morphology and deposition temperature effects on stress distribution and coating failure in Cr2AlC-coated zirconium
JF  - Materials Today Communications
VL  - 45
IS  - April
SP  - 1-18
EP  - 1-18
PB  - Elsevier Ltd.
SN  - 23524928
KW  - Submodeling
KW  - Residual stress
KW  - Thermal-mechanical analysis
KW  - Finite element
KW  - Zirconium
KW  - MAX phase
UR  - https://doi.org/10.1016/j.mtcomm.2025.112422
N2  - This study presents a finite element simulation approach using submodels to evaluate the effects of interface morphology and high-power pulsed magnetron sputtering (HPPMS) deposition temperature on stress distribution and coating failure in Cr2AlC-coated zirconium, which is designed as the cladding tube system for nuclear power plants. For the numerical simulations, different interface morphologies of the coating system are constructed using the Gaussian distribution method. It ensures a close match between the simulations and experiments. Comparative analysis shows that rougher interfaces result in more significant stress concentrations after cooling due to mismatches between dimensions, shapes, and thermal properties. Under subsequent external loading, samples that undergo cooling fail earlier than those without experiencing cooling. In addition, for the same interface morphology, residual stress increases significantly at higher deposition temperatures, while fracture strain decreases slightly over the temperature range investigated. These findings provide a multi-scale investigation of Cr2AlC-coated zirconium systems and offer valuable insights for optimizing the coating process. By controlling substrate roughness and deposition temperature, the performance and adhesion of coated specimens can be effectively balanced. The reconstructed interface morphologies closely approximate realistic conditions, allowing standardized evaluation. The proposed method is accessible, reliable, and adaptable to various materials and coating systems.
ER  -

PAN, Boyu; Fuhui SHEN; Devi Janani RAMESH; Matej FEKETE; Jochen SCHNEIDER and Sebastian MÜNSTERMANN. Numerical evaluation of interface morphology and deposition temperature effects on stress distribution and coating failure in Cr2AlC-coated zirconium. \textit{Materials Today Communications}. Elsevier Ltd., 2025, vol.~45, April, p.~1-18. ISSN~2352-4928. Available from: https://doi.org/10.1016/j.mtcomm.2025.112422.

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