Molecular dynamics studies on structural inhomogeneity of silica-based glasses シリカを主成分とするガラスの構造不均一性に関する分子動力学研究

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Author

    • 紅野, 安彦 ベニノ, ヤスヒコ

Bibliographic Information

Title

Molecular dynamics studies on structural inhomogeneity of silica-based glasses

Other Title

シリカを主成分とするガラスの構造不均一性に関する分子動力学研究

Author

紅野, 安彦

Author(Another name)

ベニノ, ヤスヒコ

University

京都大学

Types of degree

博士 (工学)

Grant ID

甲第6391号

Degree year

1996-03-23

Note and Description

博士論文

Table of Contents

  1. 論文目録 / (0001.jp2)
  2. Contents / p1 (0004.jp2)
  3. General introduction / p1 (0004.jp2)
  4. 1 Theory and principle of the molecular dynamics simulation / p5 (0008.jp2)
  5. 1.1 Equation of motion / p8 (0010.jp2)
  6. 1.2 Ensemble and boundary condition / p9 (0010.jp2)
  7. 1.3 Interatomic potential / p11 (0011.jp2)
  8. 1.4 Electrostatic forces / p14 (0013.jp2)
  9. 1.5 Numerical integration / p17 (0014.jp2)
  10. 1.6 Temperature control / p18 (0015.jp2)
  11. 1.7 Summary / p19 (0015.jp2)
  12. 2 Structural and vibrational states of silica glass by molecular dynamics simulation / p21 (0016.jp2)
  13. 2.1 Introduction / p21 (0016.jp2)
  14. 2.2 Experimental / p23 (0017.jp2)
  15. 2.3 Results / p28 (0020.jp2)
  16. 2.4 Discussion / p34 (0023.jp2)
  17. 2.5 Conclusion / p52 (0032.jp2)
  18. 3 An improvement of potential model for alkali silicate systems / p55 (0033.jp2)
  19. 3.1 Introduction / p55 (0033.jp2)
  20. 3.2 Modeling / p57 (0034.jp2)
  21. 3.3 Experimental / p62 (0037.jp2)
  22. 3.4 Results / p65 (0038.jp2)
  23. 3.5 Discussion / p70 (0041.jp2)
  24. 3.6 Conclusion / p79 (0045.jp2)
  25. 4 Evaluation of structural inhomogeneity by molecular dynamics method I. -Structural variation of silica glass / p81 (0046.jp2)
  26. 4.1 Introduction / p81 (0046.jp2)
  27. 4.2 Experimental / p83 (0047.jp2)
  28. 4.3 Results / p84 (0048.jp2)
  29. 4.4 Discussion / p85 (0048.jp2)
  30. 4.5 Conclusion / p96 (0054.jp2)
  31. 5 Evaluation of structural inhomogeneity by molecular dynamics method II. -Structural variation of sodium silicate glasses / p97 (0054.jp2)
  32. 5.1 Introduction / p97 (0054.jp2)
  33. 5.2 Experimental / p99 (0055.jp2)
  34. 5.3 Results / p101 (0056.jp2)
  35. 5.4 Discussion / p106 (0059.jp2)
  36. 5.5 Conclusion / p114 (0063.jp2)
  37. 6 Evaluation of electronic variation of silica-based MD model glasses / p117 (0064.jp2)
  38. 6.1 Introduction / p117 (0064.jp2)
  39. 6.2 SiO₂ model glass / p120 (0066.jp2)
  40. 6.3 2SiO₂-Na₂O model glass / p126 (0069.jp2)
  41. 6.4 Discussion / p135 (0073.jp2)
  42. 6.5 Conclusion / p140 (0076.jp2)
  43. Summary / p143 (0077.jp2)
  44. A Computer softwares developed in this study / p147 (0079.jp2)
  45. A.1 Local revision of MDORTO/MXDORTO / p147 (0079.jp2)
  46. A.2 Filter modules for various calculations / p149 (0080.jp2)
  47. List of figures and tables / p153 (0082.jp2)
  48. Bibliography / p157 (0084.jp2)
  49. Acknowledgments / p167 (0089.jp2)
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Codes

  • NII Article ID (NAID)
    500000131115
  • NII Author ID (NRID)
    • 8000000965810
  • DOI(NDL)
  • NDLBibID
    • 000000295429
  • Source
    • NDL ONLINE
    • NDL Digital Collections

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