Microstructural tailoring of Cr–Mn–Mo nitrides through Si and Y
alloying

J 2026

Microstructural tailoring of Cr–Mn–Mo nitrides through Si and Y alloying

VRÁNA, Lukáš; Christian GUTSCHKA; Matej FEKETE; Zsolt CZIGÁNY; Helmut RIEDL et al.

Základní údaje

Originální název

Microstructural tailoring of Cr–Mn–Mo nitrides through Si and Y alloying

Autoři

VRÁNA, Lukáš; Christian GUTSCHKA; Matej FEKETE; Zsolt CZIGÁNY; Helmut RIEDL; Tatiana PITOŇÁKOVÁ; Katalin BALÁZSI a Pavel SOUČEK

Vydání

SURFACE & COATINGS TECHNOLOGY, ELSEVIER SCIENCE SA, 2026, 0257-8972

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10305 Fluids and plasma physics

Stát vydavatele

Švýcarsko

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 6.100 v roce 2024

Označené pro přenos do RIV

Ano

Organizační jednotka

Přírodovědecká fakulta

Klíčová slova anglicky

High entropy alloy nitride film; Medium entropy alloy nitride film; Lattice distortion; Crystal structure; Mechanical properties; Reactive magnetron sputtering

Štítky

14312030, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 2. 2. 2026 10:31, Mgr. Marie Novosadová Šípková, DiS.

Anotace

V originále

This study investigates Si and Y alloying effects on microstructure and mechanical properties of Cr–Mn–Mo-based high- and medium-entropy nitride thin films fabricated by reactive DC magnetron sputtering, employing ab initio calculations and experimental analysis. Ab initio results show the unalloyed Cr–Mn–Mo–N system forms a stable fcc structure with negative formation energy, minimally affected by N vacancies. Alloying with Si, Y, or both further reduces formation energy, enhancing thermodynamic stability, especially at high Y concentrations. However, alloying comes with increased unit cell distortion, destabilising the crystal structure. Experiments reveal that Si and Y promote N incorporation, but complete stoichiometric metal-to-nitrogen ratios are not achieved, yielding N-vacant films. Structural analyses confirm the formation of a single-phase fcc solid solution, with lattice expansion and crystallite size refinement induced by increasing alloying concentrations. Atomic size mismatch is identified as the principal factor governing phase formation. Alloying enhances hardness without compromising elasticity, peaking at 20.5 GPa in Si-alloyed film due to nanocrystallinity, N incorporation, and strong nitride covalent bonding.

Návaznosti

GA23-05947S, projekt VaV

Název: Teorií směřované studium povlaků keramik stabilizovaných vysokou entropií založených na těžkotavitelných kovech

Investor: Grantová agentura ČR, Teorií směřované studium povlaků keramik stabilizovaných vysokou entropií založených na těžkotavitelných kovech

LM2023039, projekt VaV

Název: Centrum výzkumu a vývoje plazmatu a nanotechnologických povrchových úprav

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, R&D centre for plasma and nanotechnology surface modifications

Citovat

VRÁNA, Lukáš; Christian GUTSCHKA; Matej FEKETE; Zsolt CZIGÁNY; Helmut RIEDL; Tatiana PITOŇÁKOVÁ; Katalin BALÁZSI a Pavel SOUČEK. Microstructural tailoring of Cr–Mn–Mo nitrides through Si and Y alloying. SURFACE & COATINGS TECHNOLOGY. ELSEVIER SCIENCE SA, 2026, roč. 522, February, s. 133155-133170. ISSN 0257-8972. Dostupné z: https://doi.org/10.1016/j.surfcoat.2026.133155.

@article{2546277,
   author = {Vrána, Lukáš and Gutschka, Christian and Fekete, Matej and Czigány, Zsolt and Riedl, Helmut and Pitoňáková, Tatiana and Balázsi, Katalin and Souček, Pavel},
   article_number = {February},
   doi = {https://doi.org/10.1016/j.surfcoat.2026.133155},
   keywords = {High entropy alloy nitride film; Medium entropy alloy nitride film; Lattice distortion; Crystal structure; Mechanical properties; Reactive magnetron sputtering},
   language = {eng},
   issn = {0257-8972},
   journal = {SURFACE & COATINGS TECHNOLOGY},
   title = {Microstructural tailoring of Cr–Mn–Mo nitrides through Si and Y alloying},
   url = {https://www.sciencedirect.com/science/article/pii/S0257897226000071},
   volume = {522},
   year = {2026}
}

TY  - JOUR
ID  - 2546277
AU  - Vrána, Lukáš - Gutschka, Christian - Fekete, Matej - Czigány, Zsolt - Riedl, Helmut - Pitoňáková, Tatiana - Balázsi, Katalin - Souček, Pavel
PY  - 2026
TI  - Microstructural tailoring of Cr–Mn–Mo nitrides through Si and Y alloying
JF  - SURFACE & COATINGS TECHNOLOGY
VL  - 522
IS  - February
SP  - 133155
EP  - 133155
PB  - ELSEVIER SCIENCE SA
SN  - 02578972
KW  - High entropy alloy nitride film
KW  - Medium entropy alloy nitride film
KW  - Lattice distortion
KW  - Crystal structure
KW  - Mechanical properties
KW  - Reactive magnetron sputtering
UR  - https://www.sciencedirect.com/science/article/pii/S0257897226000071
N2  - This study investigates Si and Y alloying effects on microstructure and mechanical properties of Cr–Mn–Mo-based high- and medium-entropy nitride thin films fabricated by reactive DC magnetron sputtering, employing ab initio calculations and experimental analysis. Ab initio results show the unalloyed Cr–Mn–Mo–N system forms a stable fcc structure with negative formation energy, minimally affected by N vacancies. Alloying with Si, Y, or both further reduces formation energy, enhancing thermodynamic stability, especially at high Y concentrations. However, alloying comes with increased unit cell distortion, destabilising the crystal structure. Experiments reveal that Si and Y promote N incorporation, but complete stoichiometric metal-to-nitrogen ratios are not achieved, yielding N-vacant films. Structural analyses confirm the formation of a single-phase fcc solid solution, with lattice expansion and crystallite size refinement induced by increasing alloying concentrations. Atomic size mismatch is identified as the principal factor governing phase formation. Alloying enhances hardness without compromising elasticity, peaking at 20.5 GPa in Si-alloyed film due to nanocrystallinity, N incorporation, and strong nitride covalent bonding.
ER  -

VRÁNA, Lukáš; Christian GUTSCHKA; Matej FEKETE; Zsolt CZIGÁNY; Helmut RIEDL; Tatiana PITOŇÁKOVÁ; Katalin BALÁZSI a Pavel SOUČEK. Microstructural tailoring of Cr–Mn–Mo nitrides through Si and Y alloying. \textit{SURFACE \&{} COATINGS TECHNOLOGY}. ELSEVIER SCIENCE SA, 2026, roč.~522, February, s.~133155-133170. ISSN~0257-8972. Dostupné z: https://doi.org/10.1016/j.surfcoat.2026.133155.

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