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Structures and Dynamics of Amorphous Alloys

Research Project

Project/Area Number 01540294
Research Category

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

Allocation TypeSingle-year Grants
Research Field 物性一般(含極低温・固体物性に対する理論)
Research InstitutionKanazawa University

Principal Investigator

HIWATARI Yasuaki  Kanazawa University, Faculty of Science, Professor, 理学部, 教授 (20019491)

Co-Investigator(Kenkyū-buntansha) 高須 昌子  金沢大学, 理学部, 助手 (50202148)
Project Period (FY) 1989 – 1991
Project Status Completed (Fiscal Year 1991)
Budget Amount *help
¥2,100,000 (Direct Cost: ¥2,100,000)
Fiscal Year 1991: ¥500,000 (Direct Cost: ¥500,000)
Fiscal Year 1990: ¥800,000 (Direct Cost: ¥800,000)
Fiscal Year 1989: ¥800,000 (Direct Cost: ¥800,000)
KeywordsDynamics near Liquid-Glass Transition / Dynamics of binary Suercooled Liquids / Density Fluctuations in Supercooled Liquids / Anomalous Non-Gaussain Behavior / Jump Diffusion / Trapping Diffusion Model / Theory of Pair Distribution Functiton in Liquids / Short Range Interaction and Phase Separation / 非晶合金の構造とダイナミックス / 分子動力学シミュレ-ション / ソフトコアモデル / ガラス転移 / 過冷液体 / トラッピング拡散 / 非晶合金 / 分子動力学 / 2体分布関数 / ノンガウシアン
Research Abstract

1. Anomalous Dynamics neax Liquid-Glass Transition : On approaching n a liquid-glass transition, the relaxation time of density fluctuations in a supercooled liquid becomes extremely long. With this dynamical slowing down, various anomalous properties are observed in highly supercooled liquids. Then, we have studied atomic-level mechanisms as well as dynamical structures of highly supercooled liquids, using a simple binary alloy model, for which molecular dynamics(MD)simulations have been carried out. Main results obtained axe(1)the density autocorrelation functions in highly supercooled liquids are well fitted by a stretched exponential function, (2)the atomic diffusion takes place mainly through jump motions correlated with several nearby atoms, (3)non-Gaussian parameter(NGP)becomes unusually large compared with that of normal liquid states, (4)the maximum of the NGP times the corresponding time makes it possible to estimate the liquid-glass transition ; one of the most advantage of this method is that the glass transition can be determined by an intermediate time behavior rather than long time behavior Eke self-diffusion, and(5)the exponent of the stretched exponential function stated in(1)depends on the temperature(density), so that this result disagrees with that of the simplest version of mode coupling models.
2. Theory of Slow Dynamics near the Glass Transition : With a trapping diffusion model, we have studied dynamical properties of supercooled liquids, which turns out to be consistent with the present MD results.
3. Theory of Pair Distribution Functions for Supercooled Liquids : With an improved integral equation(MHNCS), we have obtained an interesting result on the effect of a short range repulsive interaction on the phase separation of binary mixtures.

Report

(4 results)
  • 1991 Annual Research Report   Final Research Report Summary
  • 1990 Annual Research Report
  • 1989 Annual Research Report
  • Research Products

    (80 results)

All Other

All Publications (80 results)

  • [Publications] T.Odagaki and Y.Hiwatari: ""Gaussian-to-non-Gaussian Transition in Supercooled Fluids"" Phys.Rev. A43. 1103-1106 (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] Y.Hiyatari,H.Miyagawa and T.Odagaki: ""Dynamical Singularities near the Liquid-Glass Transition:Theory and Molecular Dynamics Study"" Solid State Ionics. 47. 179-222 (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] 樋渡 保秋,宮川 博夫,小田 垣孝: "“ガラス転移の疑似動的臨界現象"" 日本物理学会誌. 46. 90-97 (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] J.Takashima,M.Takasu and Y.Hiwatari: ""Equilibrium Properties of a Charged Polymer Chain with Short Range Interactions:Two-Dimensional Monte Carlo Studies"" Mol.Simulation. 6. 199-220 (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] M.Takasu,K.Uehara,T.Muranaka and Y.Hiwatari: ""Molecular Dynamics Study of PdH_X System"" Proc.Int.Workshop on Computational Materials Science,NRIM,Tsukuba,Aug.23-24. 203-206 (1990)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] T.Odagaki and Y.Hiwatari: ""Residence Time Distribution of a Tracer Atom in Supercooled Fluids"" J.Phys.:Condens.Matter. 3. 5191-5194 (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] H.Miyagawa,Y.Hiwatari and S.Itoh: ""Molecular-Dynamics Study for the Glass Transition in LiI"" Prog.Theor.Phys.,Supplement. 103. 47-60 (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] Y.Hiwatari,H.Miyagawa,T.Muranaka and K.Uehara: ""Molecular-Dynamics Study of Highly Supercoole*d Liquids:Dynamical Singularities near the Liquid-Glass Transition"" Proc.Tohwa University International Symposium on Slow Dynamics in Condensed Matter,edited by M.Tokuyama (AIP,New York). (1992)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] T.Odagaki and Y.Hiwatari: ""Stochastic Dynamics in a supercooled Fluid"" Proc.Tohwa University International Symposium on Slow Dynamics in Condensed Matter,edited by M.Tokuyama (AIP,New York). (1992)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] S.Kambayashi and Y.Hiwatari: ""Instability and Phase Separation of a Binary Mixture:The role of Short-Range Repulsion and Core-Size Ratio"" Phys.Rev.A. (1992)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] J.Habasaki,I.Okada and Y.Hiwatari: "A Molecular Dynamics Study for Lithium Metasilicate:Liquid and Quenched Supercooled States"" Mol.Simulation. (1992)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] H.Miyagawa and Y.Hiwatari: ""Molecular-Dynamics Study of the Glass Transition in a Binary Soft-sphere Model"" Phys.Rev. A44. 8278-8288 (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] T.Odagaki and Y.Hiwatari: ""Apparent Subdiffusive Properties of a Supercooled Fluid"" Phys.Rev.A. (1992)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] T. Odagaki and Y. Hiwatari: ""Gaussian-to-non-Gaussian Transition in Supercooled Fluids"" Phys. Rev.A43. 1103-1106 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] Y. Hiwatari, H. Miyagawa and T. Odagaki: ""Dynamical Singularities near the Liquid -Glass Transition : Theory and Molecular Dynamics Study"" Solid State Ionics. 47. 179-222 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] Y. Hiwatari, H. Miyagawa and T. Odagaki: ""Quasi Critical Dynamics Phenomena near Liquid-Glass Transition (in Japanese)"" J. Jpn. Phys. Soc.46. 90-97 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] J. Takashima, M. Takasu and Y. Hiwatari: ""Equilibrium Properties of a Charged Polymer Chain with Short Range Interactions : Two-Dimensional Monte Carlo Studies"" Mol. Simulation. 6. 199-220 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] M. Takasu, K. Uehara, T. Muranaka and Y. Hiwatari: ""Molecular Dynamics Study of PdHchi System"" Proc. Int. Workshop on Computational Materials Science, NRIM. 203-206. (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] T. Odagaki and Y. Hiwatari: ""Residence Time Distribution of a Tracer Atom in Supercooled Fluids"" J. Phys. : Condens. Matter. 3. 5191-5194 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] H. Miyagawa, Y. Hiwatari and S. Itoh: ""Molecular-Dynamics Study for the Glass Transition in LiI"" Prog. Theor. Phys., Supplement. 103. 47-60 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] Y. Hiwatari, H. Miyagawa, T. Muranaka and K. Uehara: ""Molecular-Dynamics Study of Highly Supercooled Liquids : Dynamical Singularities near the Liquid-Glass Transition"" Proc. Tohwa University International Symposium on Slow Dynamics in Condensed Matter. AIP, New York. (1992)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] T. Odagaki and Y. Hiwatari: ""Stochastic Dynamics in a superooled Fluid"" Proc. Tohwa University International Symposium on Slow Dynamics in Condensed Matter. AIP, New York. (1992)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] S. Kambayashi and Y. Hiwatari: ""Instability and Phase Separation of a Binary Mixture : The role of Short-Range Repulsion and Core-Size Ratio"" Phys. Rev. A.

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] J. Habasaki, I. Okada and Y. Hiwatari: ""A Molecular Dynamics Study for Lithium Metasilicate : Liquid and Quenched Supercooled States"" Mol. Simulation.

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] H. Miyagawa and Y. Hiwatari: ""Molecular-Dynamics Study of the Glass Transition in a Binary Soft-Sphere Model"" Phys. Pev.A44. 8278-8288 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] T. Odagaki and Y. Hiwatari: ""Apparent Sub-diffusive Properties of a Supercooled Fluid"" Phys. Rev. A.

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] T.Odagaki and Y.Hiwatari: "“GaussianーtoーnonーGaussian Transition in Supercooled Fluids"" Phys.Rev. A43. 1103-1106 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] Y.Hiyatari,H.Miyagawa and T.Odagaki: "“Dynamical Singularities near the LiquidーGlass Transition:Theory and Molecular Dynamics Study"" Solid State Ionics. 47. 179-222 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] 樋渡 保秋,宮川 博夫,小田 垣孝: "“ガラス転移の疑似動的臨界現象"" 日本物理学会誌. 46. 90-97 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] J.Takashima,M.Takasu and Y.Hiwatari: "“Equilibrium Properties of a Charged Polymer Chain with Short Range Interactions:TwoーDimensional Monte Carlo Studies"" Mol.Simulation. 6. 199-220 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] M.Takasu,K.Uehara,T.Muranaka and Y.Hiwatari: "“Molecular Dynamics Study of PdH_x System"" Proc.Int.Workshop on Computational Materials Science,NRIM,Tsukuba,Aug.23ー24. 203-206 (1990)

    • Related Report
      1991 Annual Research Report
  • [Publications] T.Odagaki and Y.Hiwatari: "“Residence Time Distribution of a Tracer Atom in Supercooled Fluids"" J.Phys.:Condens.Matter. 3. 5191-5194 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] H.Miyagawa,Y.Hiwatari and S.Itoh: "“MolecularーDynamics Study for the Glass Transition in LiI"" Prog.Theor.Phys.,Supplement. 103. 47-60 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] Y.Hiwatari,H.Miyagawa,T.Muranaka and K.Uehara: "“MolecularーDynamics Study of Highly Supercooled Liquids:Dynamical Singularities near the LiquidーGlass Transition"" Proc.Tohwa University International Symposium on Slow Dynamics in Condensed Matter,edited by M.Tokuyama(AIP,New York). (1992)

    • Related Report
      1991 Annual Research Report
  • [Publications] T.Odagaki and Y.Hiwatari: "“Stochastic Dynamics in a supercooled Fluid"" Proc.Tohwa University International Symposium on Slow Dynamics in Condensed Matter,edited by M.Tokuyama(AIP,New York). (1992)

    • Related Report
      1991 Annual Research Report
  • [Publications] S.Kambayashi and Y.Hiwatari: "“Instability and Phase Separation of a Binary Mixture:The role of ShortーRange Repulsion and CoreーSize Ratio"" Phys.Rev.A. (1992)

    • Related Report
      1991 Annual Research Report
  • [Publications] J.Habasaki,I.Okada and Y.Hiwatari: "A Molecular Dynamics Study for Lithium Metasilicate:Liquid and Quenched Supercooled States"" Mol.Simulation. (1992)

    • Related Report
      1991 Annual Research Report
  • [Publications] H.Miyagawa and Y.Hiwatari: "“MolecularーDynamics Study of the Glass Transition in a Binary Softーsphere Model"" Phys.Rev. A44. 8278-8288 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] T.Odagaki and Y.Hiwatari: "“Apparent Subdiffusive Properties of a Supercooled Fluid"" Phys.Rev.A. (1992)

    • Related Report
      1991 Annual Research Report
  • [Publications] T.ODAGAKI: "Stochastic model for the glass transition of simple classical liquids" Physical Review A. 41. 929-937 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] T.ODAGAKI: "Stochastic model for a glass transition" Journal of NonーCrystalline Solids. 117/118. 887-889 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] T.ODAGAKI: "GaussianーtoーnonーGaussian transition in supercooled fluids" Physics Review A. 43. 1103-1106 (1991)

    • Related Report
      1990 Annual Research Report
  • [Publications] 樋渡 保秋: "ガラス転移の擬似動的臨界現象" 日本物理学会誌. 46. 90-97 (1991)

    • Related Report
      1990 Annual Research Report
  • [Publications] T.ODAGAKI: "Residence time distribution of supercooled fluids" Physicsl review Letter.

    • Related Report
      1990 Annual Research Report
  • [Publications] T.ODAGAKI: "Apparent glass transtion in a supercooled fluid phase" Physical Review A.

    • Related Report
      1990 Annual Research Report
  • [Publications] Y.HIWATARI: "Molecular dynamics study of binary alloys near the glass transition" Journal of NonーCrystalline Solids. 117/118. 862-870 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] H.MIYAGAWA: "Dynamical correlations in binary softーsphere glasses" Journal of NonーCrystalline Solids. 117/118. 903-906 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Y.HIWATARI: "The liquidーglass transition of a binary alloy and LiI" Proc.Int.Workshop on Computational Material Science (August 23ー24 1990,Tsukuba Science City,Japan),in press.(1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] Y.HIWATARI: "Dynamical singularities near the liquidーglass transition:Theory and molecular dynamics study" Solid State Ionics.

    • Related Report
      1990 Annual Research Report
  • [Publications] H.MIYAGAWA: "Molecularーdynamics study for the glass transition in binary softーsphere model" Physical Review A.

    • Related Report
      1990 Annual Research Report
  • [Publications] H.MIYAGAWA: "Molecularーdynamics study for the glass transition in LiI" Progress of Theoretical Physics.

    • Related Report
      1990 Annual Research Report
  • [Publications] J.TAKASHIMA: "Equilibrium properties of a charged polymer chain with short range interactions:Twoーdimensional Monte Carlo studies" Molecular Simulation.

    • Related Report
      1990 Annual Research Report
  • [Publications] J.HABASAKI: "Transport and dynamical correlations in glassy states and the liquidーglass transition of Li_2SiO_3" Proc.Taniguchi Int.Symposium XIII(Molecular Dynamics Simulations),Nov.6ー9,Shima,Japan,in press,1990.

    • Related Report
      1990 Annual Research Report
  • [Publications] Y.HIWATARI: "Molecular dynamics study on selfーdiffusion and the liquidーglass transition" Proc.Taniguchi Int.Symposium XIII(Molecular Dynamics Simulations),Nov.6ー9,Shima,Japan,in press,1990.

    • Related Report
      1990 Annual Research Report
  • [Publications] S.Kambayashi: "Improved integral equation for highly supercooled liquids:Numerical tests for softーsphere fluids" Physical Review A. 41. 1990-1996 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] S.KAMBAYASHI: "Theory of supercooled liquids and glasses for binary softーsphere mixtures via a modified hypernettedーchain integral equation" Physical Review A. 42. 2176-2183 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] S.KAMBAYASHI: "A modified hypernettedーchain integral equation for the supercooled liquid of inverse power potentials" Journal of NonーCrystalline Solids. 117/118. 92-95 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] S.KAMBAYASHI: "van der waals theory for the supercooled binary softーsphere fluids" Physical Review A.

    • Related Report
      1990 Annual Research Report
  • [Publications] K.UEHARA: "Molecular dynamics study of PdH_X system" Int.Workshop on Computational Material Science(August 23ー24,1990,Tsukuba Science City,Japan).

    • Related Report
      1990 Annual Research Report
  • [Publications] Y.HIWATARI/S.ICHIMARU(Editor): "Strongly Coupled Plasma Physics" Elsevier Science Publishers B.V., 163-166/708 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] H.MIYAGAWA/S.ICHIMARU(Editor): "Strongly Coupled Plasma Physics" Elsevier Science Publishers B.V., 167-170/708 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] M.TAKASU/S.ICHIMARU(Editor): "Strongly Coupled Plasma Physics" Elsevier Science Publishers B.V., 679-682/708 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] S.KAMBAYASHI/S.Ichimaru(Editor): "Strongly Coupled Plasma Physics" Elsevier Science Publishers B.V., 683-686/708 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] G.Pastore: "Soft Sphere Model for the Glass Transition in Binary Alloys.II Relaxation of the Incoherent Density-Density Correlation Functions" Phys.Rev.A38. 454-462 (1989)

    • Related Report
      1989 Annual Research Report
  • [Publications] 樋渡保秋: "非晶質の分子動力学" 固体物理. 24. 108-118 (1989)

    • Related Report
      1989 Annual Research Report
  • [Publications] H.Miyagawa: "Molecular Dynamics Study of Binary Soft-Sphere Glasses:Quench-Rate Effects and Aging Effects" Phys.Rev.A40. 6007-6013 (1989)

    • Related Report
      1989 Annual Research Report
  • [Publications] H.Miyagawa: "Molecular Dynamics study of Binary Alloys:Dynamical Correlation of the Supercooled Liquids near the Glass Transition of Binary Soft-Sphere Mixtures" Proc.of the XXIV Yamada Conference on Strongly Coupled Plasma Physics. (1990)

    • Related Report
      1989 Annual Research Report
  • [Publications] Y.Hiwatari: "Molecular Dynamics Study of Binary Alloys near the Glass Transition" Proc.of the 7th International Conference on Liquids and Amorphous Metals. (1990)

    • Related Report
      1989 Annual Research Report
  • [Publications] H.Miyagawa: "Dynamical Correlations in Binary Soft-Sphere Glasses" Proc.of the 7th International Conference on Liquids and Amorphous Metals. (1990)

    • Related Report
      1989 Annual Research Report
  • [Publications] S.Kambayashi: "A Modified Hypernetted-Chain Integral Equation for the Supercooled Liquid of Inverse Power Potentials" Proc.of the 7th International Conference on Liquids and Amorphous Metals. (1990)

    • Related Report
      1989 Annual Research Report
  • [Publications] S.Kambayashi: "Improved Integral Equation for Highly Supercooled Liquids: Numerical Tests for Soft-Sphere Fluids" Phys.Rev.A41. (1990)

    • Related Report
      1989 Annual Research Report
  • [Publications] S.Kambayashi: "New Empirical Bridge Functions for Integral Equation: Application to the Binary Supercooled Liquids of the Twelfth Inverse Power Potential" Proc.of the XXIV Yamada Conference on Strongly Coupled Plasma Physics. (1990)

    • Related Report
      1989 Annual Research Report
  • [Publications] S.Kambayashi: "Statistical Theory of Supercooled Liquids and Glasses for Inverse power Potentials:Binary Alloys"

    • Related Report
      1989 Annual Research Report
  • [Publications] T.Odagaki: "Stochastic Model for the Glass Transition of Simple Classical Liquids" Phys.Rev.A. (1990)

    • Related Report
      1989 Annual Research Report
  • [Publications] Y.Hiwatari: "Stochastic Dynamic of Atoms near a Glass Transition Point" Proc.of the XXIV Yamada Conference on Strongly Coupled Plasma Physics. (1990)

    • Related Report
      1989 Annual Research Report
  • [Publications] T.Odagaki: "Stochastic Model for a Glass Transition" Proc.of the 7th International Conference on Liquids and Amorphous Metals. (1990)

    • Related Report
      1989 Annual Research Report
  • [Publications] T.Odagaki: "Gaussian-to-non-Gaussian Transition in Supercooled Fluids" Phys.Rev.A. (1990)

    • Related Report
      1989 Annual Research Report
  • [Publications] J.Takashima: "Monte Carlo Simulations of a Two-Dimensional Charged Polymer Chain" Phys.Rev.A40. 2706-2711 (1989)

    • Related Report
      1989 Annual Research Report
  • [Publications] M.Takasu: "A Two-Dimensional Polymer Chain with Short-Range Interactions" Proc.of the XXIV Yamada Conferenceon Strongly Coupled Plasma Physics. (1990)

    • Related Report
      1989 Annual Research Report
  • [Publications] J.Takashima: "Equilibrium Properties of a Charged Polymer Chain with Short-Range Interactions: Two-Dimensional Monte Carlo Studies" (1990)

    • Related Report
      1989 Annual Research Report

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Published: 1989-04-01   Modified: 2016-04-21  

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