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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
Project Status Completed (Fiscal Year 1993)
Budget Amount *help
¥32,600,000 (Direct Cost: ¥32,600,000)
Fiscal Year 1993: ¥2,400,000 (Direct Cost: ¥2,400,000)
Fiscal Year 1992: ¥13,000,000 (Direct Cost: ¥13,000,000)
Fiscal Year 1991: ¥17,200,000 (Direct Cost: ¥17,200,000)
Keywordsd-electrons / transition metals / alloy design / nuclear materials / superalloys / heat-resistant alloys / molecular orbital method / 耐食合金 / 遷移金属基合金
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.

Report

(4 results)
  • 1993 Annual Research Report   Final Research Report Summary
  • 1992 Annual Research Report
  • 1991 Annual Research Report
  • Research Products

    (56 results)

All Other

All Publications (56 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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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
    • Related Report
      1993 Final Research Report Summary
  • [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三元素のγ-γ'相平衡" 鉄と鋼. 80. 73-77 (1994)

    • Related Report
      1993 Annual Research Report
  • [Publications] 宮崎,村田,森永: "Ni-Al-Re-X(X:Cr,Mo,W,Ti,Ta,Nb,Co)四元系合金におけるReのγとγ'相ヘの分配比" 鉄と鋼. 80. 78-83 (1994)

    • Related Report
      1993 Annual Research Report
  • [Publications] Y.Murata,M.Morinaga,Y.Shimamura et al.: "Mechanical Properties and Oxidation Resistance of High Purity TiAl Intermetallic Compounds" Proc.of the International Symposium on Structural Intermetallics. 247-256 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] M.Morinaga et al.: "Electronic Structures of Ni_3Al and the Other A15-Type Compounds" Proc.of the 3rd Japan International SAMPE Symposium. 1377-1382 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] J.Saito,Y.Takagi,M.Morinaga,Y.Murata: "Crystal Structure Maps for Aluminides and Silicides Containing Transition Metals" Proc.of the 3rd Japan International SAMPE Symposium. 1252-1257 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] Y.Murata,M.Morinaga,Y.Shimamura: "High Purity Effect on the Mechanical Properties and the Oxidation Resistance of FeAl and TiAl Intermetallic Compounds" Proc.of the 3rd Japan International SAMPE Symposium. 1481-1486 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] Y.Murata,T.Higuchi,M.Morinaga: "Oxidation Resistance of Ti_5Si_3 and(Ti,M)_5Si_3,(M:Nb,V)Intermetallic Compounds" Proc.of the 3rd IUMRS International Conference on Advanced Materials. (in press). (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] J.Saito,H.Ezaki,M.Morinaga,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)

    • Related Report
      1993 Annual Research Report
  • [Publications] Y.Murata,M.Morinaga,Y.Takeda: "Ductility of High Purity TiAl Intermetallic Compound" Materials Transactions,JIM. 33. 419-421 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] 松木 一弘,村田 純教,森永 正彦,湯川 夏夫: "Ni-Cr-Al-Ta-W(-Co)系ニッケル基単結晶超合金の高温特性" 鉄と鋼. 78. 666-672 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] 松木 一弘,村田 純教,森永 正彦,湯川 夏夫: "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. 78. 814-820 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] 松木 一弘,川上 正博,村田 純教,森永 正彦,湯川 夏夫,高柳 猛: "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. 78. 821-828 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] 森永 正彦,村田 純教,江崎 尚和: "分子軌道理論による合金設計" 日本金属学会会報. 31. 599-603 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] K.Matsugi,Y.Murata,M.Morinaga,N.Yukawa: "Realistic Advancement for Nickel-based Single Crystal Srperalloys by the d-electrons Concept" Superalloys 1992(The Minerals,Metals and Materials Society). 307-316 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] 松木 一弘,川上 正博,村田 純教,森永 正彦,湯川 夏夫: "Na_2So_4ーNaCl混合塩を塗布したNiー10Crー12AlーTaーW系結晶合金の加速酸化" 鉄と銅. 77. 1503-1510 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] 松木 一弘,宮崎 省吾,村田 純教,森永 正彦,湯川 夏夫: "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" 鉄と銅. 78. 658-665 (1992)

    • Related Report
      1991 Annual Research Report
  • [Publications] M.Morinaga,Y.Murata,H.Ezaki: "Design and Development of Structural Alloys for Nuclear Applications." Proc.of Int.Symp.on Materials Chemistry in Nuclear Environment(Tukuba).

    • Related Report
      1991 Annual Research Report
  • [Publications] Y.Murata,Y.Takeda,M.Morinaga: "Ductility of High Purity Tial Intermetallic Compound." Materials Transactions,JIM. 33. (1992)

    • Related Report
      1991 Annual Research Report
  • [Publications] 森永 正彦,村田 純教,江崎 尚和: "分子軌道理論により合金設計" 日本金属学会会報. 31. (1992)

    • Related Report
      1991 Annual Research Report
  • [Publications] K.Matsugi,Y.Murata,M.Morinaga,N.Yukawa: "Realistic Advancement for NickelーBased Singl Crystal Superalloys by the dーelectrons Concept." Proc.of 7th Int.Symp.on Superalloys 1992. (1992)

    • Related Report
      1991 Annual Research Report

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Published: 1991-04-01   Modified: 2016-04-21  

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