Effect of TiN diffusion barrier on interdiffusion between Mo–Si–B coating and Nb–Si based alloy

Qingyan Hou; Meifeng Li; Zheng Chen; Chungen Zhou

doi:10.1016/j.matchemphys.2025.130584

Effect of TiN diffusion barrier on interdiffusion between Mo–Si–B coating and Nb–Si based alloy

Qingyan Hou^*
, Meifeng Li
, Zheng Chen^*
, Chungen Zhou

^*Corresponding author for this work

School of Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

A TiN film was fabricated between a molybdenum-silicon-boron coating and a niobium-silicon based alloy by magnetron sputtering. Interdiffusion characteristics involving the coating and substrate were studied in the isothermal oxidation test at 1250 °C. The results showed that TiN interlayer effectively blocked interdiffusion between the coating and its substrate. The performance of the TiN interlayer in blocking diffusion was assessed via first-principles modeling. The study revealed that the diffusion barrier energy of Si in TiN (0.850 eV/atom) exceeds that of MoSi₂ (0.032 eV/atom) and Nb (0.072 eV/atom).

Original language	English
Article number	130584
Journal	Materials Chemistry and Physics
Volume	337
DOIs	https://doi.org/10.1016/j.matchemphys.2025.130584
State	Published - 1 Jun 2025

Keywords

First-principles calculation
Magnetron sputtering
Molybdenum-silicon-boron coating
SPS
TiN diffusion barrier

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10.1016/j.matchemphys.2025.130584

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@article{1c5c1b40511642fe9360b9589a49203b,

title = "Effect of TiN diffusion barrier on interdiffusion between Mo–Si–B coating and Nb–Si based alloy",

abstract = "A TiN film was fabricated between a molybdenum-silicon-boron coating and a niobium-silicon based alloy by magnetron sputtering. Interdiffusion characteristics involving the coating and substrate were studied in the isothermal oxidation test at 1250 °C. The results showed that TiN interlayer effectively blocked interdiffusion between the coating and its substrate. The performance of the TiN interlayer in blocking diffusion was assessed via first-principles modeling. The study revealed that the diffusion barrier energy of Si in TiN (0.850 eV/atom) exceeds that of MoSi2 (0.032 eV/atom) and Nb (0.072 eV/atom).",

keywords = "First-principles calculation, Magnetron sputtering, Molybdenum-silicon-boron coating, SPS, TiN diffusion barrier",

author = "Qingyan Hou and Meifeng Li and Zheng Chen and Chungen Zhou",

note = "Publisher Copyright: {\textcopyright} 2025 Elsevier B.V.",

year = "2025",

month = jun,

day = "1",

doi = "10.1016/j.matchemphys.2025.130584",

language = "英语",

volume = "337",

journal = "Materials Chemistry and Physics",

issn = "0254-0584",

publisher = "Elsevier B.V.",

}

TY - JOUR

T1 - Effect of TiN diffusion barrier on interdiffusion between Mo–Si–B coating and Nb–Si based alloy

AU - Hou, Qingyan

AU - Li, Meifeng

AU - Chen, Zheng

AU - Zhou, Chungen

PY - 2025/6/1

Y1 - 2025/6/1

N2 - A TiN film was fabricated between a molybdenum-silicon-boron coating and a niobium-silicon based alloy by magnetron sputtering. Interdiffusion characteristics involving the coating and substrate were studied in the isothermal oxidation test at 1250 °C. The results showed that TiN interlayer effectively blocked interdiffusion between the coating and its substrate. The performance of the TiN interlayer in blocking diffusion was assessed via first-principles modeling. The study revealed that the diffusion barrier energy of Si in TiN (0.850 eV/atom) exceeds that of MoSi2 (0.032 eV/atom) and Nb (0.072 eV/atom).

AB - A TiN film was fabricated between a molybdenum-silicon-boron coating and a niobium-silicon based alloy by magnetron sputtering. Interdiffusion characteristics involving the coating and substrate were studied in the isothermal oxidation test at 1250 °C. The results showed that TiN interlayer effectively blocked interdiffusion between the coating and its substrate. The performance of the TiN interlayer in blocking diffusion was assessed via first-principles modeling. The study revealed that the diffusion barrier energy of Si in TiN (0.850 eV/atom) exceeds that of MoSi2 (0.032 eV/atom) and Nb (0.072 eV/atom).

KW - First-principles calculation

KW - Magnetron sputtering

KW - Molybdenum-silicon-boron coating

KW - SPS

KW - TiN diffusion barrier

UR - https://www.scopus.com/pages/publications/85218230523

U2 - 10.1016/j.matchemphys.2025.130584

DO - 10.1016/j.matchemphys.2025.130584

M3 - 文章

AN - SCOPUS:85218230523

SN - 0254-0584

VL - 337

JO - Materials Chemistry and Physics

JF - Materials Chemistry and Physics

M1 - 130584

ER -

Effect of TiN diffusion barrier on interdiffusion between Mo–Si–B coating and Nb–Si based alloy

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