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Adhesion And Mechanical Properties Of Layered Nano Films TiN/ZrN And TiN/Ti/ZrN: Pseudopotential Simulation

Victor G. Zavodinsky, Yuriy G. Kabaldin
Published 2019 · Materials Science

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Abstract Energetics and mechanical properties of layered TiN/ZrN and TiN/Ti/ZrN structures are explored by means of the density functional theory and pseudopotentials. It has been shown that nitride layers of these compounds have a good adhesion each to other and especially to metallic titanium, and that leads to their stability. Young’s modulus of TiN/Ti/ZrN is twice larger than that of TiN/ZrN, while their shear moduli are approximately the same. Modeling of surface expansion for TiN/ZrN and TiN/Ti/ZrN indicates that the TiN/Ti/ZrN surface is much stronger than the TiN/ZrN surface. Its break appears at twice larger deformation and at twice larger applied stress. Therefore, TiN/Ti/ZrN coatings are much steadier against formation of cracks than TiN/ZrN coatings.
This paper references
First-principles study of metal/nitride polar interfaces: Ti/TiN
L. Liu (2003)
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn (1965)
The structure and mechanical properties of multilayer nanocrystalline TiN/ZrN coatings obtained by vacuum-arc deposition
O. A. Tokarev (2007)
Study of TiN and ZrN thin films grown by cathodic arc technique
D. Arias (2006)
The Influence of the Bias Potential on the Phase Composition, Structure, Substructure and Mechanical Properties of Multilayer TiN / ZrN System Obtained by Vacuum Arc Evaporation
O. V. Sobol (2015)
Modyfication of the Zr1Nb alloy surface by sedimentation of multilayered Ti/TiN and Zr/ZrN coatings
VA Belous (2015)
Preparation and properties of Ti-TiN-Zr-ZrN multilayer films on titanium alloy surface
S Lin (2017)
Young's modulus of TiN
E Török (1987)
Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory
M. Fuchs (1999)
Special points for Brilloin-zone integration
HJ Monkhorst (1976)
Increase in wear resistance of surface nanostructural coatings
EK Sevidova (2014)
Mechanical properties of nanoscale cobalt binder layers in hard WC/Co alloys. Mekhanika Kompozitsionnykh Materialov i Konstruktsii (in Russian)
V G Zavodinsky (2011)
First‐principles study of the TiN(111)/ZrN(111) interface
Song Wang (2018)
Influence substrate temperature on structural properties of TiN/TiC bilayers produced by pulsed arc techniques
A. Devia (2006)
Young's modulus of TiN, TiC, ZrN and HfN☆
E. Török (1987)
Effects of surface roughness of substrate on properties of Ti/TiN/Zr/ZrN multilayer coatings
S. Lin (2015)
Density functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamic
M Beckstedte (1997)
Ab Initio Predictions of Hexagonal Zr(B,C,N) Polymorphs for Coherent Interface Design
Chongze Hu (2017)
Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics
M. Bockstedte (1997)
Superconducting nitrides
XJ Chen (2005)
The Compressibility of Media under Extreme Pressures.
F. D. Murnaghan (1944)
Estimation of adhesive characteristics of contacting materials with coverings. Aviatsyonno-kosmicheskaya Tekhnika i Tekhnologiya (in Russan)
G I Kostyuk (2011)
Mechanical behavior of TiN/TiC multilayer coatings fabricated by plasma assisted chemical vapor deposition on AISI H13 hot work tool steel
M. Azadi (2014)
Pseudopotential Theory of Cohesion and Structure
V. Heine (1970)
Young’s modulus of TiN, TiC
E Török (1987)
Increase in wear resistance of surface nanostructural coatings. Elektronnaya obrabotka materialov (in Russian)
E K Sevidova (2014)
Mechanical properties of nanoscale cobalt binder layers in hard WC/Co alloys
VG Zavodinsky (2011)
Microstructure and corrosion behavior of TiC/Ti(CN)/TiN multilayer CVD coatings on high strength steels
J. Zhang (2013)
Hard superconducting nitrides.
Xiao-Jia Chen (2005)
Ab Initio Predictions of Strong Interfaces in Transition-Metal Carbides and Nitrides for Superhard Nanocomposite Coating Applications
Chongze Hu (2018)
Estimation of adhesive characteristics of contacting materials with coverings
GI Kostyuk (2011)
Elastic constants of single‐crystal transition‐metal nitride films measured by line‐focus acoustic microscopy
J. Kim (1992)
Special points for Brillouin-zone integrations
H. J. Monkhorst (1976)
Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation.
Perdew (1986)
Nanomechanical properties of TiN/ZrN multilayers prepared by pulsed laser deposition☆
G. Pradhaban (2016)
First-principles phase diagram calculations for the rocksalt-structure quasibinary systems TiN-ZrN, TiN-HfN and ZrN-HfN.
Z. Liu (2017)
Materials informatics for the design of novel coatings
L. Zhao (2005)

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