Microstructure, Mechanical Properties and First Principles Calculations of Mo/VC Multilayers
Source abstract
Abstract
In the present work, Mo/VC multilayers with constant period (10 nm) and different modulation ratios (from 6:4 to 9:1) were deposited by dc magnetron sputtering. We investigated the microstructure and mechanical properties of Mo/VC multilayers. XRD and TEM results indicated that Mo was a bcc structure and VC was a NaCl B1 (fcc) structure. An HRTEM image revealed the coherent interfaces between the Mo and VC layers. Hardness and toughness were studied using the Nanoindent and Microindent methods, respectively. It was found that the multilayers hardness remained as high as ~22 GPa, while the toughness increased from 2.91 to 4.70 MPa·m1/2 and the modulation ratio varied from 6:4 to 9:1. The enhancement of both hardness and toughness is attributed to the interfaces and the lamellated structure. The first-principles method was also used to determine the most stable interface model and the formation mechanism of the interface between the Mo and VC layers.
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Research context
OpenAlex topics: Metal and Thin Film Mechanics · Metallurgical and Alloy Processes · Advanced materials and composites
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
School of Materials Science and Engineering, Xian Shiyou University, Xi’an 710065, China
Oil-Gas Storage and Transportation Company, PetroChina Xinjiang Oilfield, Karamay 831100, China
School of Materials Science and Engineering, Sichuan University, Chengdu 610065, China
Collaborative Innovation Platform for Intelligent-Supercomputing, School of Mathematics and Physics, Handan University, Handan 056005, China
Funding
National Natural Science Foundation of China · Natural Science Foundation of Shaanxi Province
References (37)
Show source-provided references
1. Hard yet tough nanocomposite coatings—Present status and future trends10.1002/ppap.200600179 ↗
2. Hard Yet tough ceramic coating: Not a dream any more—I. via nanostructured multilayering10.1166/nnl.2012.1369 ↗
3. Nanoindentation stress–strain for fracture analysis and computational modeling for hardness and modulus10.1007/s11665-018-3289-7 ↗
4. Toughness enhancement in hard ceramic thin films by alloy design10.1063/1.4822440 ↗
5. Ultrastrong and stiff layered polymer nanocomposites10.1126/science.1143176 ↗
6. Biomedical applications of layer-by-layer assembly: From biomimetics to tissue engineering10.1002/adma.200790025 ↗
7. Tough, Bio-inspired hybrid materials10.1126/science.1164865 ↗
8. Bioinspired, graphene-enabled Ni composites with high strength and toughness10.1126/sciadv.aav5577 ↗
9. Tough metal-ceramic composites with multifunctional nacre-like architecture10.1038/s41598-021-81068-z ↗
10. Biomimetic hard and tough nanoceramic Ti-Al-N film with self-assembled six-level hierarchy10.1039/C8NR10339A ↗
11. Compressive flow behavior of Al–TiN multilayers at nanometer scale layer thickness10.1016/j.actamat.2011.02.036 ↗
12. Effect of the number of bilayers in Ti/TiN coatings on AISI 316L deposited by sputtering on their hardness, adhesion, and wear10.1016/j.matlet.2022.132037 ↗
13. Reversing the inverse hardness-toughness trend using W/VC multilayer coatings10.1016/j.surfcoat.2015.06.086 ↗
14. Review: Effect of bimetal interface structure on the mechanical behavior of Cu-Nb fcc-bcc nanolayered composites10.1007/s10853-014-8342-9 ↗
15. Electronic structure, and mechanical properties of ternary ZrTaN alloys studied by ab initio calculations and thin-film growth experiments10.1103/PhysRevB.90.144107 ↗
16. Modulation-dependent deformation behavior and strengthening response in nanostructured Ti/Zr multilayers10.1016/j.apsusc.2019.144118 ↗
17. Fabrication of nanostructured Mo coatings on Al and Ti substrates by ball impact cladding10.1016/j.surfcoat.2010.09.014 ↗
18. Electron beam deposited VC and NbC thin films on titanium: Hardness and energy-dispersive X-ray diffraction study10.1016/j.surfcoat.2007.09.008 ↗
19. Wear engineering oxides/anti-wear oxides10.1016/S0043-1648(98)00181-1 ↗
20. A new method to evaluate the fracture toughness of thin films10.1016/j.actamat.2004.04.004 ↗
21. Wetting of TiC and TiN by metals10.1103/PhysRevB.69.125421 ↗
22. Effect of nonstoichiometry on the lattice constant of cubic vanadium carbide VCy10.1134/S1063783417080133 ↗
23. Enhanced mechanical hardness in epitaxial nonisostructural Mo/NbN and W/NbN superlattices10.1063/1.368137 ↗
24. Self-consistent equations including exchange and correlation effects10.1103/PhysRev.140.A1133 ↗
25. Ab initio calculation of structural, lattice dynamical, and thermal properties of cubic silicon carbide10.1002/qua.560560617 ↗
26. Stress, strain, and microstructure of sputter-deposited Mo thin films10.1063/1.349108 ↗
27. Synthesis, Microstructure evolution and wear properties of VCp dense ceramic prepared by in situ synthesis10.1166/sam.2019.3484 ↗
28. Concepts for the design of advanced nanoscale PVD multilayer protective thin films10.1016/j.jallcom.2008.08.133 ↗
29. Small atoms as reinforced agent for both hardness and toughness of Group-VIB transition metal films10.1016/j.jallcom.2017.11.208 ↗
30. Microstructural origins of high hardness and toughness in cathodic arc evaporated Cr-Al-N coatings10.1016/j.apsusc.2019.07.051 ↗
31. On interface strengthening ability in metallic multilayers10.1016/j.scriptamat.2007.03.032 ↗
32. The effect of composition and microstructure on hardness and toughness of Mo2FeB2 based cermets10.1016/j.msea.2019.138117 ↗
33. Model of superlattice yield stress and hardness enhancements10.1063/1.359467 ↗
34. Microstructures and mechanical properties of Mg/Zr nanostructured multilayers with coherent interface10.1016/j.tsf.2020.138314 ↗
35. Fracture of coherent interfaces between an fcc metal matrix and the Cr23C6 carbide precipitate from first principles10.1103/PhysRevMaterials.2.023605 ↗
36. Transmission of a screw dislocation across a coherent, non-slipping interface10.1016/j.jmps.2006.11.005 ↗
37. Theoretical investigation on SiC(111)/Al4C3(0001) interface using density functional theory calculations10.1016/j.mtcomm.2019.100743 ↗