/INPUT/aneos.input

https://bitbucket.org/NeilMiller/h5tbuilder · Unknown · 125 lines · 125 code · 0 blank · 0 comment · 0 complexity · a1f6e62e029032bbc4a2f05d810e1a64 MD5 · raw file

  1. *materials=5
  2. *ANEOS 'Water, Ice, Serpentine, Dunite, Iron'
  3. ************************************************************************
  4. aneos1 -1 'test for water' THUG=-1 RHUG=-1 LONG
  5. * nel neos rhoref tref pref Bref Grun. Tdebye
  6. **aneos2 2 4 1.08 0.02009 0 -1.6e5 0.3 -0.045
  7. aneos2 2 4 1.11 0.02008 0 -1.8e5 0.58 -0.045
  8. * Tg 3C24 Es Tmelt C53 C54 H0 C41
  9. *aneos3 1.3 2 5.e10 0.0207 0 0 0 0
  10. aneos3 1.3 2 4.7e10 0.0210 0 0 0 0
  11. * rhomin D1 D2 D3 D4 D5 Hf -rholiq
  12. aneos4 0 0 0 0 0 0 2.05e9 -1.
  13. * Up Lo alpha beta gamma C60 C61 C62
  14. aneos5 0 0 0. 0. 0. 0.4 0. 0.3
  15. * Ionization model Reactive chemistry Molecular Clusters Pc
  16. * Flag Eshift Sshift Rbond Ebind IntDOF flag exp
  17. ANEOS6 0 0. 0. 5.E-8 3.2 0. 1. 2.4
  18. *ANEOS6 1 0. 0. 5.E-8 3.2 0. 1. 2.4
  19. *ANEOS6 1 0. 0. 0 0 0. 0 0
  20. * Zi fi
  21. aneos7 1 2./3.
  22. aneos8 8 1./3.
  23. *************************************************************************
  24. aneos1 -2 'test for ice' THUG=-1 RHUG=-1 LONG
  25. * nel neos rhoref tref pref Bref Grun. Tdebye
  26. *wataneos2 2 4 1.11 0.02008 0 -1.8e5 0.58 -0.045
  27. aneos2 2 4 1.11 0.02008 0 -1.7e5 0.58 -0.045
  28. * Tg 3C24 Es Tmelt C53 C54 H0 C41
  29. *wataneos3 1.3 2 4.7e10 0.0210 0 0 0 0
  30. aneos3 .9 2 3.34e10 0.0224 0 0 0 0
  31. * rhomin D1 D2 D3 D4 D5 Hf -rholiq
  32. aneos4 0 0 0 0 0 0 4.85e9 -1.
  33. * Up Lo alpha beta gamma C60 C61 C62
  34. aneos5 0 0 0. 0. 0. 0.8 0. 0.26
  35. * Ionization model Reactive chemistry Molecular Clusters Pc
  36. * Flag Eshift Sshift Rbond Ebind IntDOF flag exp
  37. ANEOS6 0 0. 0. 0.E-8 3.2 0. 1. 1.8
  38. *ANEOS6 1 0. 0. 0.E-8 3.2 0. 1. 1.8
  39. *ANEOS6 1 0. 0. 0 0 0. 0 0
  40. * Zi fi
  41. aneos7 1 2./3.
  42. aneos8 8 1./3.
  43. **************************************************************************
  44. * ANEOS parameters for serpentine (using LONG option, but setting extra
  45. * parameters to zero)
  46. aneos1 -3 'Serpentine' THUG=-1 RHUG=-1 LONG
  47. aneos2 4 4 2.5 0 0 -5.352e5 0.51 3.892e-2
  48. aneos3 0.73015 2 2.5e11 0.1871 0 0 0 0
  49. aneos4 0 3.7778 4.1516 4.25e11 4.3627e12 2.e12 0 0
  50. aneos5 0. 0 0 0 0 0. 0. 0
  51. aneos6 0 0 0 0 0 0 0 0
  52. * Zi fi (composition Mg3Si2O5(OH)4)
  53. aneos7 12 3./18.
  54. aneos8 14 2./18.
  55. aneos8 8 9./18.
  56. aneos8 1 4./18.
  57. ******** END input for ANEOS
  58. *
  59. *aneos1 -3 'Serpentine' THUG=-1 RHUG=-1
  60. * includes solid-solid transition, and so does not include solid-liquid melt
  61. * nel neos rhoref tref pref Bref Grun. Tdebye
  62. *aneos2 4 4 2.5 0 0 -5.352e5 0.51 3.892e-2
  63. * Tg 3C24 Es Tmelt C53 C54 H0 C41
  64. *aneos3 0.73015 2 2.5e11 0.1871 0 0 0 0
  65. * rhomin D1 D2 D3 D4 D5 Hf -rholiq
  66. *aneos4 0 3.7778 4.1516 4.25e11 4.3627e12 2.e12 0 0
  67. * Up Lo alpha beta gamma C60 C61 C62
  68. * alpha, beta, gamma <1/2; gamma>beta
  69. *aneos5 0. 0 0 0 0 0. 0. 0
  70. * Flag Eshift Sshift
  71. *aneos6 1 0 0 0 0 0 0 0
  72. * Zi fi (composition Mg3Si2O5(OH)4)
  73. *aneos7 12 3./18.
  74. *aneos8 14 2./18.
  75. *aneos8 8 9./18.
  76. *aneos8 1 4./18.
  77. **************************************************************************
  78. ANEOS -4 'ANEOS DUNITE WITH MOLECULES' RHUG=-1 THUG=-1. LONG
  79. * includes solid-solid, and so does not include solid-liquid melt
  80. * nelem type rho0 temp0(eV) press0 B0/-Cbulk Grun Tdebye(eV)
  81. ANEOS2 3 4 3.32 0. 0. -6.6E5 .82 0.057
  82. *
  83. * Critical Pt. Adj Thermal Conduction
  84. * S 3*C24 Esep Tmelt C53 C54 H0 C41
  85. ANEOS3 0.86 2. 1.3E11 0.19 0. 0. 0. 0.
  86. *
  87. * Solid-solid phase transition data
  88. * rhomin D1 D2 D3 D4 D5 Hfusion -rholiq
  89. ANEOS4 0. 4.65 4.9 6.6E11 3.5E12 1.3E13 0. 0.
  90. *
  91. * Cold comp. limits Liquid EOS params Interpolation params
  92. * Up L0 alpha beta gamma C60 C61 C62
  93. ANEOS5 0. 0. 0. 0. 0. 0. 0. 0.
  94. *
  95. * Ionization model Reactive chemistry Molecular Clusters Pc
  96. * Flag Eshift Sshift Rbond Ebind IntDOF flag exp
  97. ANEOS6 1 0. 0. 1.5E-8 8. 0. 1. 1.25
  98. *
  99. * Elements in material (number must = nelem)
  100. * Z Atomic Fraction
  101. ANEOS7 8 0.571
  102. ANEOS8 12 0.286
  103. ANEOS9 14 0.143
  104. **************************************************************************
  105. * new LONG version of IRON 11-2-01
  106. * ANEOS parameters for Iron (using LONG option, but setting extra parameters
  107. * to zero)
  108. *ANEOS 'IRON 2 - GAMMA IRON MELT' TUNIT=EV
  109. ANEOS1 -5 'IRON-2' RHUG=-1 THUG=-1 LONG
  110. ANEOS2 1. 4. 7.85 0. 0. 1.45E12 1.690 -.0400
  111. ANEOS3 0.0 2. 8.200E10 .15588 0.0 0.0 0.0 0.0
  112. ANEOS4 0.0 0.0 0.0 0.0 0.0 0.0 2.471E9 0.955
  113. ANEOS5 0. 0. 0. 0. 0. 0. 0. 0.
  114. ANEOS6 0 0. 0. 0. 0. 0. 0. 0.
  115. ANEOS5 26. 1.
  116. *
  117. *ANEOS1 -5 'IRON-2' RHUG=-1 THUG=-1
  118. * V1 V2 V3 V4 V5 V6 V7 V8
  119. *ANEOS2 1 4 7.85 0. 0. 1.45E12 1.690 -.0400
  120. * V9 V10 V11 V12 V13 V14 V15 V16
  121. *ANEOS3 0.0 2. 8.200E10 .15588 0.0 0.0 0.0 0.0
  122. * V17 V18 V19 V20 V21 V22 V23 V24
  123. *ANEOS4 0.0 0.0 0.0 0.0 0.0 0.0 2.471E9 0.955
  124. * Z(I) F(I)
  125. *ANEOS5 26. 1.