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Project review on Nov. 8. 2007 Some SEM + EDX results CrSiON patent structure MD simulations

Project review on Nov. 8. 2007 Some SEM + EDX results CrSiON patent structure MD simulations. 10 µm. 10 µm. CrSiN/CrN multilayers annealed at 1000 o C in vacuum. 327. 330. Double layer structure. 327. Similar behavior for 330. Annealing in air Annealing in vacuum. 2 µm. 2 µm.

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Project review on Nov. 8. 2007 Some SEM + EDX results CrSiON patent structure MD simulations

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  1. Project review on Nov. 8. 2007 • Some SEM + EDX results • CrSiON patent structure • MD simulations

  2. 10 µm 10 µm CrSiN/CrN multilayers annealed at 1000 oC in vacuum 327 330 Double layer structure

  3. 327 Similar behavior for 330 Annealing in air Annealing in vacuum

  4. 2 µm 2 µm 327 Sintered structure of underlayer (XRD?) 330

  5. 2 µm 2 µm EDX at% Cr 97.2 Si 2.8 Cr 97.7 Si 2.3 Cr 96.9 Si 3.1 Cr 97.6 Si 0.8 327 330

  6. Oxidation stable CrSiON protection coatings with low diffusion • and low wettability for Al die casting • D. Kurapov, A. Reiter, L. Castaldi, V. Shklover, J. Patscheider • - Technical field • Problems of prior art. Main failure modes: soldering/corrosion, • washout (erosive wear), thermal fatigue • Solution of problem: introduction of Si and O to basic CrN. • What are proper concentrations of Si and O? • - Coatings characterization • - Comparison of best coating CrSiON 1807 with CrC coating • 1665 (CAST) during Al dip tests (test conditions: AlMg5Si2Mn) • Formation of brittle FeAlSi(Cr) intermetallics in the pitting areas • Lower attack by molted Al for CrSiON than for standard CAST • H13 remained protected as soon as coating remained intact

  7. a b c 10 µm d Chemical pitting of 1807 during Al-dip tests 5 min 20 min 45 min 4 h

  8. a 5 µm b c d 10 µm Chemical pitting of 1665 during Al-dip tests 5 min 20 min 45 min 4 h Markers of HT interdiffusion

  9. B A 3 µm 3 µm Composition of soldering phases (SEM+EDX) 1807 1665 6506 6509 5 min 6519 6521 20 min 6564 6561 45 min 6597 6595 4 h

  10. 5 min 20 min 45 min 4 h 1806 1807 1808 1665

  11. Molecular dynamics simulations • VASP software: ab-initio quantum-mechanical molecular • dynamics calculation using pseudopotentials and a plane wave • basis set, finite-temperature local-density approximation • Gonzales (gonzales.ethz.ch) is high-performance Linux cluster of • 288 compute nodes, each node has 250 processors with 2.5 GHz • and 8 GB • What could be done: • How stability of cubic CrN changes with Cr and O contents • How can O concentration influence preferred orientation in • CrSiON (formulation on atomic scale level) • Hardness consideration based on elastic properties of crystals • Electronic structure as a function of composition • Gibbs energy as a function of oxygen content

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