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Development of PGMs-free heat-resistant coatings based on first principles molecular dynamic calculations

Research Project

Project/Area Number 24710084
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Environmental technology/Environmental materials
Research InstitutionNational Institute for Materials Science

Principal Investigator

Wu Rudder  国立研究開発法人物質・材料研究機構, 国際ナノアーキテクトニクス研究拠点, 研究員 (90544560)

Project Period (FY) 2012-04-01 – 2016-03-31
Project Status Completed (Fiscal Year 2015)
Budget Amount *help
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2014: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2013: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2012: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Keywords元素戦略 / 第一原理分子動力学法 / 遮熱コーティング / 第一分子動力学法 / 国際情報交換 イギリス / 国際情報交換 イギリス / 国際情報交換 台湾 / 耐熱・遮熱コーティング
Outline of Final Research Achievements

The principal investigator of this research project has applied Nose-Hoover algorithm of first principle molecular dynamics simulations to study the effect of PGMs doping on the interfacial reactions. It was found that the crystal structures near the coating-substrate interface vary significantly with respect to the number of valence electrons of the doping element. The results of this finding were published on Acta Materialia and Materials Research Innovations.

In addition, the same method was applied to study the degradation of thermal barrier coatings by volcanic ash and relevant mitigation mechanisms. It was discovered that alumina reacts with volcanic ash to form new compounds of high melting temperatures, which remain in the solid phase within the engine operating temperatures.

Report

(5 results)
  • 2015 Annual Research Report   Final Research Report ( PDF )
  • 2014 Research-status Report
  • 2013 Research-status Report
  • 2012 Research-status Report
  • Research Products

    (9 results)

All 2015 2014 2013 Other

All Int'l Joint Research (1 results) Journal Article (3 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 3 results) Presentation (5 results) (of which Int'l Joint Research: 2 results,  Invited: 4 results)

  • [Int'l Joint Research] The University of Manchester/University of Oxford(英国)

    • Related Report
      2015 Annual Research Report
  • [Journal Article] Effect of platinum addition on oxidation behaviour of gamma/gamma prime nickel aluminide2015

    • Author(s)
      Y. Chen, X. Zhao, M. Bai, A. Chandio, R. Wu, P. Xiao
    • Journal Title

      Acta Materialia

      Volume: 86 Pages: 319-330

    • DOI

      10.1016/j.actamat.2014.12.023

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Effect of Pt on adherence of γ′-Ni3Al/Al2O3 interface of thermal barrier coatings investigated by first-principle molecular dynamics2014

    • Author(s)
      Y.M. Nie, R. Wu, R.C. Reed, Y.A. Chen, K.I. Lee
    • Journal Title

      Mater. Res. Innov

      Volume: 18 Issue: sup2 Pages: 1001-1007

    • DOI

      10.1179/1432891714z.000000000535

    • Related Report
      2014 Research-status Report
    • Peer Reviewed
  • [Journal Article] Microstructure parameters affecting interfacial adhesion of thermal barrier coatings by the EB-PVD method2014

    • Author(s)
      L.T. Wu, R.T. Wu, X. Zhao, P. Xiao
    • Journal Title

      Materials Science and Engineering: A

      Volume: 594 Pages: 193-202

    • DOI

      10.1016/j.msea.2013.11.054

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Presentation] Thermal Barrier Coatings2015

    • Author(s)
      Rudder WU
    • Organizer
      UK-Japan Symposium on Materials Under Extreme Conditions
    • Place of Presentation
      University of Oxford, UK
    • Year and Date
      2015-09-20
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Fabrication of alumina nano oxide particles doped platinum functional coatings for the protection against high temperature oxidation2015

    • Author(s)
      Rudder WU
    • Organizer
      42nd The International Conference on Metallurgical Coatings and Thin Films
    • Place of Presentation
      San Diego, USA
    • Year and Date
      2015-04-20 – 2015-04-24
    • Related Report
      2014 Research-status Report
    • Invited
  • [Presentation] On the Mechanisms and Mitigation of Volcanic Ash Attack on YSZ Thermal Barrier Coatings2015

    • Author(s)
      Rudder WU
    • Organizer
      42nd International Conference on Metallurgical Coatings and Thin Films
    • Place of Presentation
      Town and Country Resort & Convention Center, San Diego, USA
    • Year and Date
      2015-04-20
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] On the Mechanisms and Mitigation of Volcanic Ash Attack on YSZ Thermal Barrier Coatings2014

    • Author(s)
      Rudder T Wu
    • Organizer
      41st The International Conference on Metallurgical Coatings and Thin Films
    • Place of Presentation
      San Diego, USA
    • Related Report
      2013 Research-status Report
  • [Presentation] Intrinsic factors controlling interfacial stability of thermal barrier coatings2013

    • Author(s)
      Rudder WU
    • Organizer
      13th International Conference on Fracture
    • Place of Presentation
      Beijing China
    • Related Report
      2012 Research-status Report
    • Invited

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Published: 2013-05-31   Modified: 2019-07-29  

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