journal article·2022-09Open access

Precipitation-based grain boundary design alters Inter- to Trans-granular Fracture in AlCrN Thin Films

M. Meindlhumer, T. Ziegelwanger, J. Zalesak, M. Hans, L. Löfler, S. Spor, N. Jäger, A. Stark, H. Hruby, R. Daniel, D. Holec, J.M. Schneider, C. Mitterer, J. Keckes

Acta Materialia· Volume 237

Abstract

Despite their high hardness and indentation modulus, nanostructured crystalline ceramic thin films pro- duced by physical vapour deposition usually lack sufficient fracture strength and toughness. This brit- tleness is often caused by underdense columnar grain boundaries of low cohesive energy, which serve as preferential paths for crack propagation. In this study, mechanical and structural properties of arc- evaporated Al$0.9$Cr$0.1$N thin films were analyzed using micromechanical tests, electron microscopy, atom probe tomography and in situ high-energy high-temperature grazing incidence transmission X-ray diffrac- tion. Vacuum annealing at 1100 °C resulted in the formation of regularly-distributed globular cubic Cr(Al)N and elongated cubic CrN precipitates at intracrystalline Cr-enriched sublayers and at columnar grain boundaries with sizes of ∼5 and ∼30 nm, respectively. Consequently, in situ micromechanical testing before and after the heat treatment revealed simultaneous enhancement of Young’s modulus, fracture stress and fracture toughness by ∼35, 60 and 10%, respectively. The annealing-induced concomitant im- provement of toughness and strength was inferred to precipitations observed within grains as well as at grain boundaries enhancing the cohesive energy of the grain boundaries and thereby altering the crack propagation pathway from inter- to transcrystalline. The here reported experimental data unveil the hith- erto untapped potential of precipitation-based grain boundary design for the improvement of mechanical properties of transition metal nitride thin films.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Metal and Thin Film Mechanics · Diamond and Carbon-based Materials Research · Advanced materials and composites

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

References (94)

Show source-provided references
1. Perspective on the development of high-toughness ceramics10.1111/j.1151-2916.1990.tb06493.x ↗
2. Grain boundary design of thin films: Using tilted brittle interfaces for multiple crack deflection toughening10.1016/j.actamat.2016.09.027 ↗
3. Influence of Ta on the fracture toughness of arc evaporated Ti-Al-N10.1016/j.vacuum.2018.01.028 ↗
4. Fracture toughness and structural evolution in the TiAlN system upon annealing10.1038/s41598-017-16751-1 ↗
5. Fracture toughness enhancement of brittle nanostructured materials by spatial heterogeneity: A micromechanical proof for CrN/Cr and TiN/SiOx multilayers10.1016/j.matdes.2016.05.029 ↗
6. Superlattice effect for enhanced fracture toughness of hard coatings10.1016/j.scriptamat.2016.06.030 ↗
7. Toughness enhancement in TiN/WN superlattice thin films10.1016/j.actamat.2019.04.028 ↗
8. Multi-scale interface design of strong and damage resistant hierarchical nanostructured materials10.1016/j.matdes.2020.109169 ↗
9. A novel approach for determining fracture toughness of hard coatings on the micrometer scale10.1016/j.scriptamat.2012.06.034 ↗
10. Fracture properties of thin film TiN at elevated temperatures10.1016/j.matdes.2020.108885 ↗
11. Annealing of intrinsic stresses in sputtered TiN films: the role of thickness-dependent gradients of point defect density10.1016/j.surfcoat.2006.10.017 ↗
12. High temperature fracture toughness of single-layer CrAlN and CrAlSiN hard coatings10.1016/j.surfcoat.2021.126909 ↗
13. Mechanical and thermal stability of TiN/NbN superlattice thin films10.1016/S0257-8972(00)00935-X ↗
14. Interdiffusion studies of single crystal TiN/NbN superlattice thin films10.1116/1.581961 ↗
15. Thermal stability of wurtzite Zr1-xAlxN coatings studied by in situ high-energy x-ray diffraction during annealing10.1063/1.4927156 ↗
16. Grain boundary segregation engineering in metallic alloys: a pathway to the design of interfaces10.1016/j.cossms.2014.06.002 ↗
17. Segregation engineering enables nanoscale martensite to austenite phase transformation at grain boundaries: A pathway to ductile martensite10.1016/j.actamat.2013.06.055 ↗
18. Assessment of grain boundary cohesion of technically pure and boron micro-doped molybdenum via meso-scale three-point-bending experiments10.1016/j.matdes.2021.109848 ↗
19. Grain boundary segregation engineering in as-sintered molybdenum for improved ductility10.1016/j.scriptamat.2018.07.008 ↗
20. On grain boundary segregation in molybdenum materials10.1016/j.matdes.2017.09.019 ↗
21. Stress-controlled decomposition routes in cubic AlCrN films assessed by in-situ high-temperature high-energy grazing incidence transmission X-ray diffraction10.1038/s41598-019-54307-7 ↗
22. Superior oxidation resistance, mechanical properties and residual stresses of an Al-rich nanolamellar Ti0.05Al0.95N coating prepared by CVD10.1016/j.surfcoat.2014.07.022 ↗
23. Microstructural evolution and thermal stability of AlCr(Si)N hard coatings revealed by in-situ high-temperature high-energy grazing incidence transmission X-ray diffraction10.1016/j.actamat.2020.01.026 ↗
24. Impact of Si on the high-temperature oxidation of AlCr(Si)N coatings10.1016/j.jmst.2021.04.065 ↗
25. More features, more tools, more CrysTBox10.1107/S1600576717006793 ↗
26. On the chemical composition of TiAlN thin films - Comparison of ion beam analysis and laser-assisted atom probe tomography with varying laser pulse energy10.1016/j.tsf.2019.04.026 ↗
27. Electric field strength-dependent accuracy of TiAlN thin film composition measurements by laser-assisted atom probe tomography10.1088/1367-2630/ab7770 ↗
28. In situ site-specific specimen preparation for atom probe tomography10.1016/j.ultramic.2006.06.008 ↗
29. Can microscale fracture tests provide reliable fracture toughness values? A case study in silicon10.1557/jmr.2015.2 ↗
30. Small-scale fracture toughness of ceramic thin films: the effects of specimen geometry, ion beam notching and high temperature on chromium nitride toughness evaluation10.1080/14786435.2016.1223891 ↗
31. Tada · 2000
32. Lawn · 1993
33. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
34. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
35. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
36. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
37. Special points for Brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗
38. Antiferromagnetic structure of CrN10.1103/PhysRev.117.929 ↗
39. N-K electron energy-loss near-edge structures for TiN/VN layers: An ab initio and experimental study10.1007/s00216-007-1759-0 ↗
40. Thermal stability of arc evaporated high aluminum-content Ti1−xAlxN thin films10.1116/1.1503784 ↗
41. Cathodic arc deposition of (Al,Cr)2O3: macroparticles and cathode surface modifications10.1016/j.surfcoat.2011.09.028 ↗
42. P. Panjan, A. Drnovšek, P. Gselman, M. Čekada, M. Panjan, Review of growth defects in thin films prepared by PVD techniques, 2020. 10.3390/COATINGS10050447.10.3390/coatings10050447 ↗
43. Layer formation by resputtering in Ti-Si-C hard coatings during large scale cathodic arc deposition10.1016/j.surfcoat.2011.02.007 ↗
44. Ti-Si-C-N thin films grown by reactive arc evaporation from Ti3SiC2 cathodes10.1557/jmr.2011.10 ↗
45. Structural and mechanical properties of Cr-Al-O-N thin films grown by cathodic arc deposition10.1016/j.actamat.2012.08.010 ↗
46. Substrate rotation-induced chemical modulation in Ti-Al-O-N coatings synthesized by cathodic arc in an industrial deposition plant10.1016/j.surfcoat.2016.08.046 ↗
47. Modifying the nanostructure and the mechanical properties of Mo2BC hard coatings: Influence of substrate temperature during magnetron sputtering10.1016/j.matdes.2018.01.029 ↗
48. Enhanced thermal stability of (Ti,Al)N coatings by oxygen incorporation10.1016/j.actamat.2021.117204 ↗
49. Microstructure and thermal stability of corundum-type (Al0.5Cr0.5)2O3 solid solution coatings grown by cathodic arc evaporation10.1016/j.tsf.2013.02.046 ↗
50. Mechanical properties and machining performance of Ti1-xAlxN-coated cutting tools10.1016/j.surfcoat.2004.04.056 ↗
51. Investigation of the properties of Al1-xCrxN coatings prepared by cathodic arc evaporation10.1016/j.surfcoat.2005.01.043 ↗
52. Thermal conductivity and mechanical properties of AlN-based thin films10.1063/1.4953358 ↗
53. Evaluation of fracture toughness measurements using Chevron-Notched silicon and tungsten microcantilevers10.1007/s11837-019-03696-1 ↗
54. Small-scale mechanical testing of cemented carbides from the micro- to the nano-level: a review10.3390/met9050502 ↗
55. 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 nanodiffraction10.1016/j.matdes.2019.107702 ↗
56. Evolution of structure and residual stress of a fcc/hex-AlCrN multi-layered system upon thermal loading revealed by cross-sectional X-ray nano-diffraction10.1016/j.actamat.2018.09.031 ↗
57. Behavior of molecules and molecular ions near a field emitter10.1088/1367-2630/18/3/033031 ↗
58. Theoretical study of elastic properties and phase stability of M0.5Al0.5N1-xOx (M = Sc, Ti, V, Cr)10.1063/1.4793496 ↗
59. Microhardness and lattice parameter of Cr1−xAlxN films10.1116/1.1448510 ↗
60. Powder Diffraction File Cards: w-AlN 225–1133, WC 25-1047, Co 15-0806, (n.d.) accessed January 2022
61. Structure, elastic properties and phase stability of Cr1-xAlxN10.1016/j.actamat.2008.01.054 ↗
62. Thermal expansion of cemented tungsten carbide10.6028/jres.018.025 ↗
63. Birkholz · 2006
64. Mechanistic study of superlattice-enabled high toughness and hardness in MoN/TaN coatings10.1038/s43246-020-00064-4 ↗
65. Mechanical properties of CrN-based superlattices: impact of magnetism10.1016/j.actamat.2021.117095 ↗
66. Atomistic modeling-based design of novel materials10.1002/adem.201600688 ↗
67. Surface energies of AlN allotropes from first principles10.1016/j.scriptamat.2012.07.027 ↗
68. Correlating structural and mechanical properties of AlN/TiN superlattice films10.1016/j.scriptamat.2019.02.021 ↗
69. Trends in the elastic response of binary early transition metal nitrides
70. Thermally-induced formation of hexagonal AlN in AlCrN hard coatings on sapphire: Orientation relationships and residual stresses10.1016/j.surfcoat.2010.08.089 ↗
71. Thermal stability of nitride thin films10.1016/S0042-207X(00)00143-3 ↗
72. Thermal stability of nanolamellar fcc-Ti1-xAlxN grown by chemical vapor deposition10.1016/j.actamat.2019.05.044 ↗
73. Influence of spinodal decomposition and fcc→w phase transformation on global and local mechanical properties of nanolamellar CVD fcc-Ti1-xAlxN coatings10.1016/j.mtla.2020.100696 ↗
74. Thermophysical, mechanical and microstructural characterization of aged free-standing plasma-sprayed zirconia coatings10.1016/j.actamat.2008.04.067 ↗
75. The effects of heat treatment and gas atmosphere on the thermal conductivity of APS and EB-PVD PYSZ thermal barrier coatings10.1016/j.surfcoat.2007.03.028 ↗
76. Effect of thermal aging on microstructure and functional properties of zirconia-base thermal barrier coatings10.1007/s11666-009-9313-6 ↗
77. A review on failure mechanism of thermal barrier coatings and strategies to extend their lifetime10.1016/j.ceramint.2019.12.200 ↗
78. Self-organized nanostructures in the Ti-Al-N system10.1063/1.1608464 ↗
79. Oxidation behaviour and tribological properties of arc-evaporated ZrAlN hard coatings10.1016/j.surfcoat.2011.10.023 ↗
80. Structure and phase evolution of Cr-Al-N coatings during annealing10.1016/j.surfcoat.2008.04.075 ↗
81. Impact of bias potential and layer arrangement on thermal stability of arc evaporated Al-Cr-N coatings10.1016/j.tsf.2016.05.011 ↗
82. Effect of substrate temperature and bias voltage on the crystallite orientation in RF magnetron sputtered AlN thin films10.1016/j.tsf.2005.12.145 ↗
83. Effect of the substrate bias voltage on the crystallographic orientation of reactively sputtered AlN thin films10.1016/0040-6090(94)90678-5 ↗
84. Anisotropy of fracture toughness in nanostructured ceramics controlled by grain boundary design10.1016/j.matdes.2018.11.028 ↗
85. Bioinspired design criteria for damage-resistant materials with periodically varying microstructure10.1002/adfm.201100443 ↗
86. A novel approach for determining the stress intensity factor for cracks in multilayered cantilevers10.1016/j.engfracmech.2022.108386 ↗
87. Grain boundary segregation engineering and austenite reversion turn embrittlement into toughness: example of a 9 wt.% medium Mn steel10.1016/j.actamat.2014.12.021 ↗
88. Grain boundary segregation in Fe-Mn-C twinning-induced plasticity steels studied by correlative electron backscatter diffraction and atom probe tomography10.1016/j.actamat.2014.09.041 ↗
89. Segregation assisted grain boundary precipitation in a model Al-Zn-Mg-Cu alloy10.1016/j.actamat.2018.07.003 ↗
90. Fracture toughness trends of modulus-matched TiN/(Cr,Al)N thin film superlattices10.1016/j.actamat.2020.10.068 ↗
91. Assessment of ductile character in superhard Ta-C-N thin films10.1016/j.actamat.2019.08.015 ↗
92. Correlation between fracture characteristics and valence electron concentration of sputtered Hf-C-N based thin films10.1016/j.surfcoat.2020.126212 ↗
93. A machine learning approach to fracture mechanics problems10.1016/j.actamat.2020.03.016 ↗
94. Knowledge extraction and transfer in data-driven fracture mechanics