Thermodynamic reassessments of the Ti–Si–C/Ti–Si–N systems and thermodynamic calculations of CVD TiSiCN hard-coating based on the Ti–Si–C–N quaternary system
Source abstract
Abstract
The Ti–Si–C and Ti–Si–N systems were thermodynamically reassessed by using the CALculation of PHAse Diagram (CALPHAD) approach. A more suitable Gibbs energies expression of Ti3SiC2 was obtained to fit better with heat capacity data in the Ti–Si–C system. The thermodynamic parameters of the Ti–Si–N system were adjusted based on the revised Ti–Si system. A self-consistent thermodynamic database of the quaternary Ti–Si–C–N system was established. The calculated thermodynamic data and phase diagrams agree well with the experimental data. The CVD (Chemical Vapor Deposition) process for TiSiCN coatings was simulated using the newly evaluated thermodynamic parameters of the Ti–Si–C–N system. A good agreement between the predicted coating composition and the experimental ones was achieved, verifying the reliability of the thermodynamic database obtained in the present work.
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Research context
OpenAlex topics: Metal and Thin Film Mechanics · Advanced materials and composites · Advanced ceramic materials synthesis
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References (68)
Show source-provided references
1. Growth model for high-Al containing CVD TiAlN coatings on cemented carbides using intermediate layers of TiN10.1016/j.surfcoat.2021.127361 ↗
2. Influence of nitrogen gas over microstructural, vibrational and mechanical properties of CVD Titanium nitride (TiN) thin film coating10.1016/j.ceramint.2021.02.254 ↗
3. Micro-Slurry-jet Erosion (MSE) testing of CVD TiC/TiN and TiC coatings10.1016/j.wear.2009.02.014 ↗
4. Microstructure and corrosion behavior of TiC/Ti(CN)/TiN multilayer CVD coatings on high strength steels10.1016/j.apsusc.2013.05.037 ↗
5. Guo · 2008 · 188
6. Structure and mechanical properties of Ti–Si–N films deposited by combined DC/RF reactive unbalanced magnetron sputtering10.1116/1.1798771 ↗
7. Ti-Si-N films prepared by plasma-enhanced chemical vapor deposition10.1007/BF01447027 ↗
8. Fracture toughness of Ti-Si-N thin films10.1016/j.ijrmhm.2017.12.015 ↗
9. Properties of TiSiN coatings deposited by hybrid HiPIMS and pulsed-DC magnetron co-sputtering10.1016/j.vacuum.2014.06.023 ↗
10. Calculation of the Ti-CN system10.1515/ijmr-1996-870905 ↗
11. Mechanical properties of nanocrystalline Ti–B–(N) coatings produced by DC magnetron sputtering10.1016/j.surfcoat.2005.02.070 ↗
12. Structure and tribological properties of TiSiCN coating on Ti6Al4V by arc ion plating10.1016/j.tsf.2017.09.053 ↗
13. Synthesis and characterization of quaternary Ti–Si–C–N coatings prepared by a hybrid deposition technique10.1016/j.surfcoat.2004.08.042 ↗
14. Structure and tribocorrosion properties of duplex treatment coatings of TiSiCN/nitride on Ti6Al4V alloy10.1016/j.ceramint.2019.03.180 ↗
15. A comparative study of the mechanical and tribological properties of PECVD single layer and compositionally graded TiSiCN coatings10.1016/j.ceramint.2019.07.100 ↗
16. The effects of phase transformation on the structure and mechanical properties of TiSiCN nanocomposite coatings deposited by PECVD method10.1016/j.apsusc.2018.02.263 ↗
17. A new class of Ti–Si–C–N coatings obtained by chemical vapor deposition, Part III: 650–800 °C process10.1016/S0040-6090(02)00333-4 ↗
18. A new class of Ti–Si–C–N coatings obtained by chemical vapor deposition — part II: low-temperature process10.1016/S0040-6090(01)00878-1 ↗
19. A new class of Ti-Si-C-N coatings obtained by chemical vapor deposition, Part 1: 1000°C Process10.1016/S0040-6090(01)00894-X ↗
20. Ternary and quaternary TiSiN and TiSiCN nanocomposite coatings obtained by Chemical Vapor Deposition10.1016/j.surfcoat.2012.10.067 ↗
21. The Thermo-Calc databank system10.1016/0364-5916(85)90021-5 ↗
22. Mechanical properties and oxidation resistance of chemically vapor deposited TiSiN nanocomposite coating with thermodynamically designed compositions10.1016/j.ijrmhm.2018.12.018 ↗
23. Deposition of CVD-TiCN and TiAlN coatings guided with thermodynamic calculations10.3139/146.111613 ↗
24. Experimental investigation of the equilibrium composition of titanium carbonitride and analysis using thermodynamic modelling10.3139/146.018051 ↗
25. Seifert H. J., (unpublished work).
26. A revised thermodynamic description of the Ti–C system10.1016/j.calphad.2004.01.004 ↗
27. Thermodynamic assessment of the Si–N system10.1016/j.calphad.2003.12.005 ↗
28. Thermodynamic calculation of the ternary system Al-Si-C10.1016/S0364-5916(96)00027-2 ↗
29. Assessment of the Ti-N system
30. Ansara · 1998
31. SIMPLIFICATION OF THE THERMODYNAMIC DESCRIPTION OF THE Ti-Si SYSTEM10.4322/2176-1523.1045 ↗
32. Phase diagram of the titanium-silicon system
33. A reassessment of Ti-C-N based on a critical review of available assessments of Ti-N and Ti-C
34. Badzian · 1999 · vol. 354 · 148
35. Prediction of new low compressibility solids10.1126/science.245.4920.841 ↗
36. On the β-C3N4 search10.1007/BF00275368 ↗
37. Stability of silicon carbonitride phases10.1111/j.1151-2916.2002.tb00031.x ↗
38. SGTE data for pure elements10.1016/0364-5916(91)90030-N ↗
39. Investigations of the system silicon-carbon-nitrogen
40. Development of Si-B-C-N ceramics supported by phase diagrams and thermochemistry
41. Thermal analysis of Si-C-N ceramics derived from polysilazanes
42. Phase equilibria and thermal analysis of Si-C-N ceramics10.1016/S0925-8388(00)01478-X ↗
43. Brukl · 1966 · vol. II
44. Phase relations in the Ti-Si-C system10.1016/0955-2219(91)90067-A ↗
45. Silicon carbide and transition metals: a critical evaluation of existing phase diagram data supplemented by new experimental results10.1016/0263-4368(93)90045-H ↗
46. Phase relationships in the Ti–Si–C system at high pressures10.1557/JMR.1992.1473 ↗
47. Thermodynamic evaluation of the C–Cr–Si, C–Ti–Si, and C–Fe–Si systems for rapid solution growth of SiC10.1016/j.jcrysgro.2014.08.027 ↗
48. Experimental investigation and thermodynamic calculation of the TitaniumSiliconCarbon system10.1111/j.1151-2916.2000.tb01170.x ↗
49. Interdiffusion paths in the diffusion couple Ti–SiC
50. Seifert · 1993
51. A reassessment of Ti-C-N based on a critical review of available assessments of Ti-N and Ti-C
52. Thermal properties of Ti3SiC210.1016/S0022-3697(98)00313-8 ↗
53. First-principles phonon calculations of thermal expansion inTi3SiC2,Ti3AlC2, andTi3GeC210.1103/PhysRevB.81.174301 ↗
54. Diffraction thermometry and differential thermal analysis10.1107/S0021889802016497 ↗
55. Reactions in the Ti-Si3N4 system under ordinary and plasma heating conditions10.1007/BF00791432 ↗
56. TiN formed by evaporation as a diffusion barrier between Al and Si10.1116/1.571700 ↗
57. Wakelkamp · 1991
58. Reactions which form both silicide and nitride layers10.1111/j.1151-2916.1990.tb06546.x ↗
59. Phase equilibria in thin-film metallizations10.1116/1.582879 ↗
60. Thermochemical properties of inorganic substances10.1007/BF02561491 ↗
61. Phase chemistry in the Ti-Si-N system: thermochemical review with phase stability diagrams[J]10.1557/JMR.1994.2362 ↗
62. Interfacial reactions in Ti/Si3N4and TiN/Si diffusion couples10.1063/1.359468 ↗
63. Rogl · 1992
64. The thermodynamic assessment of the Ti–Si–N system and the interfacial reaction analysis10.1016/j.jallcom.2004.09.027 ↗
65. A reinvestigation of the constitution of the partial system TiSi-Si10.1023/A:1026496918170 ↗
66. Algebraic representation of thermodynamic properties and the classification of solutions10.1021/ie50458a036 ↗
67. The regular solution model for stoichiometric phases and ionic melts10.3891/acta.chem.scand.24-3618 ↗
68. Microstructure, mechanical properties and cutting performances of TiSiCN super-hard nanocomposite coatings deposited using CVD method under the guidance of thermodynamic calculations10.1016/j.surfcoat.2019.124956 ↗