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1993 Fiscal Year Final Research Report Summary

Construction of a New Method for the Design of Transition-metal-based Alloys with the Aid of a d-electrons Theory

Research Project

Project/Area Number 03402046
Research Category

Grant-in-Aid for General Scientific Research (A)

Allocation TypeSingle-year Grants
Research Field 金属材料(含表面処理・腐食防食)
Research InstitutionToyohashi University of Technology

Principal Investigator

MURATA Yoshinori  Toyohashi Univ.of Tech., Production Systems Eng., Associate Professor, 工学部, 助教授 (10144213)

Co-Investigator(Kenkyū-buntansha) INOUE Satoshi  Toyohashi Univ.of Tech., Production Systems Eng., Research Associate, 工学部, 助手 (90168443)
EZAKI Hisakazu  Toyohashi Univ.of Tech., Production Systems Eng., Associate Professor, 工学部, 助教授 (80160357)
KAWAKAMI Masahiro  Toyohashi Univ.of Tech., Production Systems Eng., Professor, 工学部, 教授 (30016597)
MORINAGA Masahiko  Toyohashi Univ.of Tech., Production Systems Eng., Professor, 工学部, 教授 (50126950)
Project Period (FY) 1991 – 1993
Keywordsd-electrons / transition metals / alloy design / nuclear materials / superalloys / heat-resistant alloys / molecular orbital method
Research Abstract

A new method was proposed for the design of transition-metal-based alloys with the aid of a d-electrons theory. Two alloying parameters were obtained theoretically by the DV-Xalpha molecular orbital calculation. One is the bond order (Bo) that is a measure of the covalent bond strength between atoms and the other is the d-orbital energy level (Md) that is related to the electronegativity and atomic radius of elements. The alloys studied in this research were Ni-, Fe-, Zr, - Nb- and Mo-based alloys, all of which are important for high-temperature structural applications. The results obtained are summarize as follows ;
(1) Ni-based alloys : A concept of "alloying vector" was newly introduced and used for the prediction of both the chemical composition and the volume fraction of the gamma phase in alloys. Here, the alloying vector is strictly defined by using the two alloying parameters, Md and Bo. On the basis of the alloying vectors, some superalloys for jet engines and electric power plants were designed successfully. (2) Fe-based alloys : It was found that the phase stability of the alloys could be predicted using a Md-Bo diagram. Also, high temperature properties in ferritic alloys were predicted using the Bo parameter. Based on these results, ferritic alloys were designed for turbines and boilers in electric power plants. New austenitic alloys were also designed for the first breeder reactors. (3) Zr-, Nb- and Mo-based alloys : From the experimental data and the electronic calculations, some guiding principles were obtained for the design of nuclear power plants.

  • Research Products

    (36 results)

All Other

All Publications (36 results)

  • [Publications] 松木、宮崎、村田、森永、湯川: "レニウムを含むニッケル基単結晶超合金の組織と合金元素の分配比" 鉄と鋼. 第78巻(4). 658-665 (1992)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] 松木、村田、森永、湯川: "Ni-Cr-Al-Ta-W(-Co)系ニッケル基単結晶超合金の高温特性とTa/W組成比の関係" 鉄と鋼. 第78巻(4). 666-672 (1992)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Y.Murata,Y.Tkadeda and M.Morinaga: "Ductility of High Purity TiAl Intermetallic Compound,Materials" Transaction,JIM. 419-421 (1992)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] 松木、村田、森永、湯川: "ニッケル基単結晶超合金の凝固・析出反応温度とクリープ破断寿命および製造性との関係" 鉄と鋼. 第78巻(5). 814-820 (1992)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] 松木、川上、村田、森永、湯川、高柳: "Na_2SO_4-NaCl混合塩塗布試験におけるニッケル基単結晶超合金の高温腐食におよぼすCrおよびReの効果" 鉄と鋼. 第78巻(5). 821-828 (1992)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] M.Morinaga,Y.Murata and H.Ezaki: "Design and Development of Structural Alloys for Nuclear Applications" Proc.of Inter.Symp.on Materials Chemistry in Nuclear Environment. 241-252 (1992)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] M.Matsugi,Y.Murata,M.Morinaga and N.Yukawa: "Realistic Advancement for Nickel Based Single Srystal Superalloys by the d-Electrons Concept" Proc.of 7th Inter.Symp on Superalloys. 307-316 (1992)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] 森永、村田、江崎: "分子軌道理論による合金設計" 日本金属学会会報. 第31巻(7). 599-603 (1992)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Y.Murata,M.Morinaga,N.Yukawa,H.Ogawa and M.Kato: "Solidification and Precipitation Behaviour of Inconel 718 and Waspaloy" Proc.of The 1st Pacific Rim Inter.Conf.of Advanced Mater.and Processing. 269-274 (1992)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] K.Matsugi,Y.Murata,M.Morinaga and N.Yukawa: "An Electronic Approach to Alloy Design and its Application to Ni-based Single Crystal Superalloys" Materials Sci.and Engineering. A172(1,2). 101-110 (1993)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Y.Murata,M.Morinaga and Y.Shimamura: "High Purity Effect on the Mechanical Properties and the Oxidation Resistance of FeAl and TiAl Intermetallic Compounds" Proc.of the 3rd Japan Inter.SAMPE Symposium. 1481-1486 (1993)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Y.Murata,T.Higuchi and M.Morinaga: "Oxidation Resistance of Ti_5Si_3 and(Ti,M)_5Si_3(M:Nb,V)Intermetallic Compounds" Proc.of 3rd IUMRS Inter.Conf.of Advanced Materials. (in press). (1993)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] J.Saito,H.Ezaki,M.Morinaga and Y.Murata: "Alloying Effect on the Electronic Structure of FeAl and NiAl Compounds" Proc.of the International Conf.on Computer-assisted Materials Design and Process Simulation. 255-260 (1993)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Y.Murata,M.Morinaga,Y.Shimamura,K.Takeda and S.Miyazaki: "Mechanical Properties and Oxidation Resistance of High Purity TiAl Intermetallic Compounds" Proc.of the Inter.Symp.on Structural Intermetallics. 247-256 (1993)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] 宮崎、村田、森永: "Ni_3Al(γ'相)におけるReの占有サイトとNi-Al-Re三元系のγ-γ'相平衡" 鉄と鋼. 第80巻(2). 73-77 (1994)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] 宮崎、村田、森永: "Ni-Al-Re-X(X:Cr,Mo,W,Ti,Ta,Nb,Co)四元合金におけるReのγ-γ'相への分配比" 鉄と鋼. 第80巻(2). 78-83 (1994)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] J.Kyobu,Y.Murata and M.Morinaga: "Computer Simulation of Local Atomic Displacement in Alloys-Application to G.P.Zones in Al-Cu" J.of Applied Crystallography. (in press). (1994)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] H.Yukawa,Y.Murata,M.Morinaga,Y.Takahashi,H.Yoshida: "Heterogeneous Distributions of Magnesium Atoms near the Precipitate in Al-Mg Based Alloys" Acta Metallurgica. (to be published).(1994)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] K.Matsugi, S.Miyazaki, Y.Murata, M.Morinaga, N.Yukawa: ""Microstructures and Partitioning Ratios of Alloying Elements in Re Containing Nickel-based Single Crystal Superalloys"" Tetsu-to-Hagane. 78(4). 658-665 (1992)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] K.Matsugi, Y.Murata, M.Morinaga, N.Yukawa: ""Correlation of Ta/W Compositional Ratios with the High Temperature Properties of Ni-Cr-Al-Ta-W(-Co) Single Crystal Superalloys"" Tetsu-to-Hagane. 78(4). 666-672 (1992)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Y.Murata, Y.Tadeda and M.Morinaga: ""Ductility of High Purity TiAl Intermetallic Compound"" Materials Transaction, JIM.33(4). 419-421 (1992)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] K.Matsugi, Y.Murata, M.Morinaga, N.Yukawa: ""Creep-rupture Life and Alloy Manufacturing Criterion Related to the Solidification and Precipitation Temperatures in Nickel-based Single Crystal Superalloys"" Tetsu-to-Hagane. 78(5). 814-820 (1992)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] K.Matsugi, M.Kawakami, Y.Murata, M.Morinaga, N.Yukawa, T.Takayanagi: ""Alloying Effect of Cr and Re on the Hot-corrosion of Nickel-based Single Crystal Superalloys Coated with a Na_2SO_4-NaCl Salt"" Tetsu-to-Hagane. 78(5). 821-828 (1992)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] M.Morinaga, Y.Murata and H.Ezaki: ""Design and Development of Structural Alloys for Nuclear Applications"" Proc.of Inter.Symp.on Materials Chemistry in Nuclear Environment. 241-252 (1992)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] M.Matsugi, Y.Murata, M.Morinaga and N.Yukawa: ""Realistic Advancement for Nickel Based Single Srystal Superalloys by the d-Electrons Concept"" Proc.of 7th Inter.Symp.on Superalloys. 307-316 (1992)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] M.Morinaga, Y.Murata, H.Ezaki: ""Alloy Design based on a Molecular Orbital Theory"" Nippon-Kinzoku-Gakkai-Kaiho. 31(7). 599-603 (1992)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Y.Murata, M.Morinaga, N.Yukawa, H.Ogawa and M.Kato: ""Solidification and Precipitation Behavior of Inconel 718 and Waspaloy"" Proc.of The lst Pacific Rim Inter.Conf.of Advanced Mater and Processing. 269-274 (1992)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] K.Matsugi, Y.Murata, M.Morinaga and N.Yukawa: ""An Electronic Approach to Alloy Design and its Application to Ni-based Single Crystal Superalloys"" Materials Sci.and Engineering. A172 (1&2). 101-110 (1993)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Y.Murata, M.Morinaga and Y.Shimamura: ""High Purity Effect on the Mechanical Properties and the Oxidation Resistance of FeAl and TiAl Intermetallic Compounds"" Proc.of the 3rd Japan Inter.SAMPE Symposium. 1481-1486 (1993)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Y.Murata, T.Higuchi and M.Morinaga: ""Oxidation Resistance of Ti_5Si_3 and (Ti, M)_5Si_3 (M : Nb, V) Intermetallic Compounds"" Proc.of 3rd IUMRS Inter.Conf.of Advanced Materials. (in press). (1993)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] J.Saito, H.Ezaki, M.Morinaga and Y.Murata: ""Alloying Effect on the Electronic Structure of FeAl and NiAl Compounds"" Proc.of the International Conf.on Computer-assisted Materials Design and Process Simulation. 255-260 (1993)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Y.Murata, M.Morinaga, Y.Shimamura, K.Takeda and S.Miyazaki: ""Mechanical Properties and Oxidation Resistance of High Purity TiAl Intermetallic Compounds"" Proc.of the Inter.Symp.on Structural Intermetallics. 247-256 (1993)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] S.Miyazaki, Y.Murata, M.Morinaga: ""Site Occupancy of Re Atoms in Ni_3Al(gamma') and gamma-gamma' Phase Equilibria in Ni-Al-Re Ternary Alloys"" Tetsu-to-Hagane. 80(2). 73-77 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] S.Miyazaki, Y.Murata, M.Morinaga: ""Evaluation of Partitioning Ratios of Re Atoms in Ni-Al-Re-X(X : Cr, Mo, W, Ti, Ta, Nb, Co) Quarternary Alloys"" Tetsu-to-Hagane. 80(2). 78-83 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] J.Kyobu, Y.Murata and M.Morinaga: ""Computer Simulation of Local Atomic Displacement in Alloys - Application to G.P.Zones in Al-Cu-"" J.of Applied Crystallography. (in press). (1994)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] H.Yukawa, Y.Murata, M.Morinaga, Y.Takahashi, H.Yoshida: ""Heterogeneous Distributions of Magnesium Atoms near the Precipitate in Al-Mg Based Alloys"" Acta Metallurgica. (to be published). (1994)

    • Description
      「研究成果報告書概要(欧文)」より

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Published: 1995-03-27  

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