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State-of-the-art 2.6 Mio DOF State-of-the-art State-of-the-art
Harbin Institute of Technology TBZ-PARIV GmbH TBZ-PARIV GmbH Harbin Institute of Technology State-of-the-art MODELLING AND SIMULATION OF COATING-SUBSTRATE-SYSTEMS STATE-OF-THE-ART AND FUTURE TRENDS From the mathematical point of view: Big dimensional problem Jürgen Leopold; Reiner Wohlgemuth TBZ-PARIV / Chemnitz / Germany Debin Shan Harbin Institute of Technology / PR China Jianguo Lin Imperial College London / United Kingdom Yi Qin University of Strathclyde, Glasgow, United Kingdom 2.6 Mio DOF Outline ¾State-of-the-art ¾Why do we need Multiscale Modeling? ¾Bridging the Gaps Between the Modelling Activities at Different Scales (M3-2S Project) ¾Summery Source: Oosterling; van den Berg; Renevier, Meisel; Leopold: ICMCTF 2002 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece TBZ-PARIV GmbH Leopold – Wohlgemuth – Shan – Lin - Qin 1 Harbin Institute of Technology 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece 3 Leopold – Wohlgemuth – Shan – Lin - Qin TBZ-PARIV GmbH Harbin Institute of Technology State-of-the-art State-of-the-art 2 µm CMC TiN TiCN ZrCN Al2O3 42CrMo4 Steel Substrate MoST fixed Source: Th. Bertram; PhD ThesisTU Freiberg 2001 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Source: Oosterling; van den Berg; Renevier, Meisel; Leopold: ICMCTF 2002 Leopold – Wohlgemuth – Shan – Lin - Qin 2 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Leopold – Wohlgemuth – Shan – Lin - Qin 4 1 Harbin Institute of Technology TBZ-PARIV GmbH 1.2 µm MoS2+Ti E=130 GPa ν=0.25 2.5 µm ZrCN E=420 GPa ν=0.25 3.5 µm Al2O3 E=390 GPa ν=0.25 7.0 µm TiCN E=515 GPa ν=0.25 1.5 µm TiN Cemented metal carbide Domain Decomposition Method Harbin Institute of Technology TBZ-PARIV GmbH State-of-the-art State-of-the-art Failure modes E=580 GPa ν=0.25 E=600 GPa ν=0.22 Line distance 75 nm Total Cutting length: 11.700 m 130 days manufacturing with one MoS2 – coated cutting insert !!! MoS 2+Ti ZrCN Al2O3 TiCN TiN Source: DFG Le 746/22-4 substrate Source: Oosterling; van den Berg; Renevier, Meisel; Leopold: ICMCTF 2002 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece TBZ-PARIV GmbH 2D – FE - model Leopold – Wohlgemuth – Shan – Lin - Qin 5 Harbin Institute of Technology 3D – FE - model 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Harbin Institute of Technology TBZ-PARIV GmbH State-of-the-art 7 Leopold – Wohlgemuth – Shan – Lin - Qin Crack Initiation in Coating-Substrate-Systems FE-Simulation State-of-the-art SEM - Experiment Vickers06.avi Minimum element size 250nm square Source: DFG Le 746/22-4 Source: DFG Le 746/22-4 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Leopold – Wohlgemuth – Shan – Lin - Qin 6 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Source: EMPA Leopold – Wohlgemuth – Shan – Lin - Qin 8 2 TBZ-PARIV GmbH Harbin Institute of Technology TBZ-PARIV GmbH Harbin Institute of Technology State-of-the-art State-of-the-art Ball - cratering test imprint on the applied coating and the FEM simulation of its structure. Coating Interface T1 W2 W1 Substrate BN13 Central W1 BN14 Outer W2 T2 T3 Coating BN12 BN11 Interface Source: K.-D. Bouzakis , A. Asimakopoulos, M. Batsiolas: Surface & Coatings Technology 202 (2008) 5929–5935 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece TBZ-PARIV GmbH 9 Leopold – Wohlgemuth – Shan – Lin - Qin Harbin Institute of Technology Macro-Level Damage Module 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece TBZ-PARIV GmbH FE model for a single layer coating system under indentation (a) 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece State-of-the-art Crack occurs in the coating surface when the load reaches 11N (c) Yield initiated in the substrate when the load reaches 0.086N SEM analysis of the circular cracks observed after the 50N indentation on samples coated with TiN J. Feng; Y. Qin; R. R. Koodakal and J. Michler: A NEW TECHNIQUE TO INVESTIGATE THE LOAD-BEARING CAPACITY OF A COATING ON TOOL STEEL Harbin Institute of Technology Load Bearing Capacity for Multi-layered Surface System State-of-the-art 11 Leopold – Wohlgemuth – Shan – Lin - Qin (b) Leopold – Wohlgemuth – Shan – Lin - Qin (d) 10 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Leopold – Wohlgemuth – Shan – Lin - Qin 12 3 Harbin Institute of Technology TBZ-PARIV GmbH TBZ-PARIV GmbH Chip Formation Simulation to determine the loads at the coatings Harbin Institute of Technology Why do we need Multiscale Modeling? State-of-the-art Layer: 50nm ! > 18m GG-25 Mises-Stress Temperature Arch of Galerius Pressure Few Millimeter Source: http://commons.wikimedia.org/wiki/File:THES_Arch_of_Galerius_E_face.jpg 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece 13 Leopold – Wohlgemuth – Shan – Lin - Qin Harbin Institute of Technology TBZ-PARIV GmbH 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece TBZ-PARIV GmbH 15 Leopold – Wohlgemuth – Shan – Lin - Qin Harbin Institute of Technology Why do we need Multiscale Modeling? State-of-the-art Indenter W1 T1 Cohesive zone W2 The bilinear cohesive layer model T2 Interface Substrate T3 Gc = TiN 1 Gc = Tmaxδ c 2 Coating Hardene d Submode l Gc CrN Microstructure Critical Energy-release rate Tmax maximum traction δ max is the characteristic cohesive-zone length TiN/CrN ML 1 Tmaxδ c 2 (a) Mises stress; (b) Damage coefficient; (c) Traction-separation relationship for a cohesive element in the coating. 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Leopold – Wohlgemuth – Shan – Lin - Qin 14 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Leopold – Wohlgemuth – Shan – Lin - Qin 16 4 Harbin Institute of Technology TBZ-PARIV GmbH Harbin Institute of Technology TBZ-PARIV GmbH Multiscale problem P Demonstrator : Indentation layer indentor layer P layer Normalized critical load: P/R2 in N/m2 TiN - Coating indentor 1012 1011 1010 σ /E2 (σ + cσ )2 y lay y f 109 108 plastic zone Source: matcalc Source: Wappler Harbin Institute of Technology SPMR 120308 (hard metal without coating) • • • • • point force layer σ3/E2 y ind, sub 106 0.001 0.01 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece TBZ-PARIV GmbH plastic zone 0.1 1 10 100 J. Michler, E. Blank Thin Solid Films 381 (2001) 119-134 19 Leopold – Wohlgemuth – Shan – Lin - Qin Harbin Institute of Technology Demonstrator : Cutting Different structures øe • P elastic region Normalized layer thickness h/R 17 Leopold – Wohlgemuth – Shan – Lin - Qin Initial cutting inserts layer σ h* 2 y plastic deformation of substrate SiO2-Substrate TBZ-PARIV GmbH σ3/E2 f ind, lay 107 Indentor is a (invisible) hard ball Higher panel: small penetrate depth Lower panel: high penetrate depth 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece 2 σ h* f coating failure Machining Process: TURNING (internal) Internal Diameter: Ø98 mm goes to External Diameter: Ø103 mm Advance Speed: 0.4 mm/rpm ω: 76 rpm Length: 60 mm øi Equiaxed structures Length Cutting Tool Columnar structures Electromagnetic Brake CC-270 Source: Fundiciones del Estanda S.A. Source: Fundiciones del Estanda S.A. 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Leopold – Wohlgemuth – Shan – Lin - Qin 18 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Leopold – Wohlgemuth – Shan – Lin - Qin 20 5 TBZ-PARIV GmbH Harbin Institute of Technology Mechanical Material Properties Crack patterns: 5mm ∅ WC sphere CrN: 2400 N TiN: 2400 N Layer Layer Material Thickne Type s sses (nm) TiN/CrN: 2400 N Mono layer Multil ayer 2 µm TBZ-PARIV GmbH 2 µm Leopold – Wohlgemuth – Shan – Lin - Qin 2 µm 21 Harbin Institute of Technology Total Coatin g Thickn ess (nm) TiN 646 CrN 1069 NbN 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Harbin Institute of Technology TBZ-PARIV GmbH 780 TiN/Nb N 16.66 / 16.28 659 TiN/Cr N 18.03 / 17.52 697 NbN/Cr N 19.61 / 18.65 765 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece TBZ-PARIV GmbH Er ν (GPa) - 22 15. 4.7 7 4 20 17. 5.1 7 5 29 32. 0.4 1 2 20 15. 8.0 05 5 19 15. 0.0 72 8 19 18. 7.6 9 6 0 . 1 8 H Total thickness [nm] Number of periods Deposition temperature [⁰C] 500 TiN 1800 1 CrN 2000 1 450 TiN/CrN 2000 200 420 Leopold – Wohlgemuth – Shan – Lin - Qin 23 Harbin Institute of Technology Three typically test methods 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Leopold – Wohlgemuth – Shan – Lin - Qin 22 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Leopold – Wohlgemuth – Shan – Lin - Qin 24 6 TBZ-PARIV GmbH Harbin Institute of Technology Harbin Institute of Technology TBZ-PARIV GmbH AAFEM Module for Super Lattice Coatings Bridging the Gaps Between the Modelling Activities at Different Scales 30nm New approach for Multiscale Problems in Coating-Substrate- Systems 30nm Atomic Finite Element Method 100 several 50 nm layers simulated starting with TiN and finished with CrN at the interface from coating to substrate 200µm 250µm 1mm 20µm Crystal Plasticity Finite Element Method model with highest number of elements (superlattice – TiNCrN_170) with 889105 elements 20µm Advanced Adaptive Finite Element Method Macro submodelling to export displacements to CPFE subdomain 1mm 1mm 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece TBZ-PARIV GmbH Macroscopic and lower Continuum FE refinement Leopold – Wohlgemuth – Shan – Lin - Qin Source: Heller; Wohlgemuth; Meyer; Leopold – CIRP CMMO 2011 25 Harbin Institute of Technology 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece 27 Leopold – Wohlgemuth – Shan – Lin - Qin Harbin Institute of Technology TBZ-PARIV GmbH Micro-Mechanics Modelling based on Crystal Plasticity FE refinement The Solver: PCGM example: hierarchical basis preconditioner very cheap and quick Y 200 Sources: Heller_Wohlgemuth_Meyer_Leopold: Journal of Multiscale Modeling 2011 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Leopold – Wohlgemuth – Shan – Lin - Qin Source: Journal of Multiscale Modelling´Vol. 1, No. 1 (2009) 107–124 26 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Leopold – Wohlgemuth – Shan – Lin - Qin 28 7 TBZ-PARIV GmbH Harbin Institute of Technology Harbin Institute of Technology TBZ-PARIV GmbH Simulation of the TiN film growth on TiN(001) MD-Simulation Interaction MEAM Potential Ti-N Ours N-N Lee's[9] Potentials Kim's[10] Ti-Ti Parameters of MD model Model Description term Value lx×ly×lz Nsub [100]×[010]×[001] 1100 Substrate Incident atom Virtual wall 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece TBZ-PARIV GmbH 29 Leopold – Wohlgemuth – Shan – Lin - Qin Harbin Institute of Technology 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece 3 ML 3 ML 1 2aT/100adatoms 300-700 K normal to substrate 2-10 eV 20 Å, move up at riso 1 atom/ps 500 4.8 Å, move up at riso Schematic of the MD model of atomic deposition Harbin Institute of Technology MD-Simulation Validity of the potential U tot ( x1 , x2 ,..., x N ) = N = ∑ U ( x j − xi ) Thermal linear expansion coefficient Atom nucleus (FE Nodes) i< j 30nm 31 Leopold – Wohlgemuth – Shan – Lin - Qin TBZ-PARIV GmbH Atomic FEM Inter-atomic potential - Lennard-Jones potential 30nm dres dfree riso T direction Ek H Rdep Ndep h Simulation 9.31×10-6 K-1 Experiment 9.35×10-6 K-1 Bonding force (FE Elements) Atoms = FE nodes (several sets depending on type in the MD model) Automatic generation of CBUSH elements (user selected max. length) Limitations: AFEM < 100,000 nodes (Max. AFEM domain size: 0.03µmx0.03 µm) Thermal linear expansion of TiN. Min. element edge size in CPFEM: 1.. 100 Å 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Leopold – Wohlgemuth – Shan – Lin - Qin 30 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Leopold – Wohlgemuth – Shan – Lin - Qin 32 8 TBZ-PARIV GmbH Harbin Institute of Technology PROJECT M3-2S (NMP3-SL-2008-213600) Project Partner: University of Birmingham (UK) Asociacion De La Industria Navarra (ES) DIAD (IT) Fundiciones Del Estanda (ES) Wilde FEA Ltd (UK) TBZ-PARIV GmbH (DE) Swiss Federal Laboratories for Materials Testing & Research (CH) Fraunhofer IWU (DE) Harbin Institute of Technology (PRC) Politecnico di Torino (IT) University of Strathclyde (UK) Imperial College of Science, Technology and Medicine (UK) 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece TBZ-PARIV GmbH 33 Leopold – Wohlgemuth – Shan – Lin - Qin Harbin Institute of Technology ¾„Conventionally“ Finite Element Simulation can be applied for deformation and stability analysis of coating-substrate-systems That’s “state-of-the-art” SUMMARY ¾“Virtual” Cutting Tool Design and “Virtual” Machining is an important topic in manufacturing ¾New workpiece materials are responsible for new demands in coating-substrate-structures ¾In addition to “homogeneous” coatings – more and more structured coatings are developed ¾This new type of coatings are “non-homogeneous” and “non-isotropic” ¾Subdomain techniques : Continuum-mechanically methods + ab-initio methods can be used in the near future Thank you for your Attention! 9th THE „A“ Coatings International Conference ; 3 - 5 October 2011 Thessaloniki, Greece Leopold – Wohlgemuth – Shan – Lin - Qin 34 9
