journal article·2022-01

Bond strength between TiN coating and microstructural constituents of a high speed steel determined by first principle calculations

Matthias Gsellmann, Daniel Scheiber, Thomas Klünsner, Jakub Zálešák, Zaoli Zhang, Harald Leitner, Christian Mitterer, Gerald Ressel, Lorenz Romaner

Acta Materialia· Volume 222
Publisher page

Abstract

Abstract The adhesion of protective hard coatings to the substrate is one of the most important parameters that influence the performance of metal cutting tools. By a combination of high-resolution transmission electron microscopy and first principles modelling we determine the interface adhesion between a TiN hard coating and microstructural constituents of a high speed steel on an atomic level for the first time. Based on experimentally observed orientation relationships, multiple structures are studied for each interface and both interface cohesion and resistance to sliding are evaluated for MC and M6C carbides as well as the martensitic matrix to TiN coating. We find that TiN coatings have high adhesion to MC carbides, while lower adhesion is present for M6C and the martensitic matrix. Close agreement with experimental measurements validates this approach and suggests new strategies for developing steels with increased coating adhesion.
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Research context

OpenAlex topics: Metal and Thin Film Mechanics · Diamond and Carbon-based Materials Research · Microstructure and Mechanical Properties of Steels

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (46)

Show source-provided references
1. High-performance coatings for cutting tools10.1016/j.cirpj.2016.11.004 ↗
2. How TiN coatings improve the performance of high speed steel cutting tools10.1016/0257-8972(90)90172-9 ↗
3. Comparison of TiN-coated tools using CVD and PVD processes during continuous cutting of Ni-based superalloys10.1016/j.surfcoat.2015.10.071 ↗
4. Cyclic heat-up and damage-relevant substrate plastification of single- and bilayer coated milling inserts evaluated numerically10.1016/j.surfcoat.2019.01.008 ↗
5. Finite element study of the influence of hard coatings on hard metal tool loading during milling10.1016/j.surfcoat.2016.06.041 ↗
6. Trent · 2000
7. Stephenson · 2016
8. Klocke · 2011
9. Holmberg · 2009
10. Today's applications and future developments of coatings for drills and rotating cutting tools10.1016/0257-8972(96)80011-9 ↗
11. Effects of elastic modulus mismatch between coating and substrate on the friction and wear properties of TiN and TiAlN coating systems10.1016/j.wear.2015.05.016 ↗
12. Bunshah · 2001
13. Influence of localized cyclic substrate plastification on residual stress, load stress and cracking near the interface between hard coating and WC-Co hard metal substrate10.1016/j.ijrmhm.2019.04.003 ↗
14. Near-interface cracking in a TiN coated high speed steel due to combined shear and compression under cyclic impact loading10.1016/j.surfcoat.2020.125854 ↗
15. A review of the methods for the evaluation of coating-substrate adhesion10.1016/0257-8972(88)90181-8 ↗
16. Mattox · 2010
17. Mesquita · 2017
18. Initial growth of TiN on different phases of high speed steels10.1016/0040-6090(85)90259-7 ↗
19. Adhesion of titanium nitride coatings on high-speed steels10.1116/1.573256 ↗
20. Strength ranking for interfaces between a TiN hard coating and microstructural constituents of high speed steel determined by micromechanical testing10.1016/j.matdes.2021.109690 ↗
21. Roberts · 1998
22. Structure-stress relationships in nanocrystalline multilayered Al 0.7 Cr 0.3 N/Al 0.9 Cr 0.1 N coatings studied by cross-sectional X-ray nanodiffraction
23. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
24. Efficiency of Ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
25. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
26. Ab initio molecular dynamics of liquid metals10.1103/PhysRevB.47.558 ↗
27. Python materials genomics (pymatgen): a robust, open-source python library for materials analysis10.1016/j.commatsci.2012.10.028 ↗
28. M.K. Skakov, B.K. Rakhadilov, G.S. Karipbayeva, A.B. Manapbayeva, Structural-phase state of R6M5 high-speed steel after thermal processing, Recent Contributions to Physics (Rec.Contr.Phys.), 1 (2014) 53–59. (https://bph.kaznu.kz/index.php/zhuzhu/article/view/28)
29. Theoretical study of interface structure and energetics in semicoherent Fe(001)/MX(001) systems (M=Sc, Ti, V, Cr, Zr, Nb, Hf, Ta; X=C or N)10.1103/PhysRevB.82.195410 ↗
30. Haufe · 1972
31. Roberts · 1998
32. Microstructure and nanochemistry of carbide precipitates in high-speed steel S 6-5-2-510.1016/S1044-5803(99)00003-0 ↗
33. Lichtenegger · 1995
34. Ab initio calculations of grain boundaries in bcc metals10.1088/0965-0393/24/3/035013 ↗
35. Morphology of Fe2Al5 particles and the interface to WC coating in the context of hot-dip galvanizing: an Ab initio study10.1016/j.jallcom.2020.153854 ↗
36. Analysis of shape, orientation and interface properties of Mo2C precipitates in Fe using Ab-initio and finite element method calculations10.1016/j.actamat.2020.11.020 ↗
37. The influence of alloying on Zn liquid metal embrittlement in steels10.1016/j.actamat.2020.06.001 ↗
38. Hydrogen trapping in bcc iron10.3390/ma13102288 ↗
39. First-principles study of metal-carbide/nitride adhesion: Al/VC vs. Al/VN10.1016/S1359-6454(01)00361-5 ↗
40. Surface properties of titanium nitride: a first-principles study10.1016/j.ssc.2010.04.034 ↗
41. Highly anisotropic sliding at TiN/Fe interfaces: a first principles study
42. Theoretical calculations on the adhesion, stability, electronic structure, and bonding of Fe/WC interface10.1016/j.apsusc.2011.01.072 ↗
43. Ab initio study of Al-ceramic interfacial adhesion10.1103/PhysRevB.67.092105 ↗
44. First-principles calculation of W/WC interface: atomic structure, stability and electronic properties10.1016/j.apsusc.2014.10.119 ↗
45. A computational study of interfaces in WC-Co cemented carbides
46. Investigation on WC/TiC interface relationship in wear-resistant coating by first-principles10.1016/j.surfcoat.2016.08.025 ↗