/INPUT/aneos.input
https://bitbucket.org/NeilMiller/h5tbuilder · Unknown · 125 lines · 125 code · 0 blank · 0 comment · 0 complexity · a1f6e62e029032bbc4a2f05d810e1a64 MD5 · raw file
- *materials=5
- *ANEOS 'Water, Ice, Serpentine, Dunite, Iron'
- ************************************************************************
- aneos1 -1 'test for water' THUG=-1 RHUG=-1 LONG
- * nel neos rhoref tref pref Bref Grun. Tdebye
- **aneos2 2 4 1.08 0.02009 0 -1.6e5 0.3 -0.045
- aneos2 2 4 1.11 0.02008 0 -1.8e5 0.58 -0.045
- * Tg 3C24 Es Tmelt C53 C54 H0 C41
- *aneos3 1.3 2 5.e10 0.0207 0 0 0 0
- aneos3 1.3 2 4.7e10 0.0210 0 0 0 0
- * rhomin D1 D2 D3 D4 D5 Hf -rholiq
- aneos4 0 0 0 0 0 0 2.05e9 -1.
- * Up Lo alpha beta gamma C60 C61 C62
- aneos5 0 0 0. 0. 0. 0.4 0. 0.3
- * Ionization model Reactive chemistry Molecular Clusters Pc
- * Flag Eshift Sshift Rbond Ebind IntDOF flag exp
- ANEOS6 0 0. 0. 5.E-8 3.2 0. 1. 2.4
- *ANEOS6 1 0. 0. 5.E-8 3.2 0. 1. 2.4
- *ANEOS6 1 0. 0. 0 0 0. 0 0
- * Zi fi
- aneos7 1 2./3.
- aneos8 8 1./3.
- *************************************************************************
- aneos1 -2 'test for ice' THUG=-1 RHUG=-1 LONG
- * nel neos rhoref tref pref Bref Grun. Tdebye
- *wataneos2 2 4 1.11 0.02008 0 -1.8e5 0.58 -0.045
- aneos2 2 4 1.11 0.02008 0 -1.7e5 0.58 -0.045
- * Tg 3C24 Es Tmelt C53 C54 H0 C41
- *wataneos3 1.3 2 4.7e10 0.0210 0 0 0 0
- aneos3 .9 2 3.34e10 0.0224 0 0 0 0
- * rhomin D1 D2 D3 D4 D5 Hf -rholiq
- aneos4 0 0 0 0 0 0 4.85e9 -1.
- * Up Lo alpha beta gamma C60 C61 C62
- aneos5 0 0 0. 0. 0. 0.8 0. 0.26
- * Ionization model Reactive chemistry Molecular Clusters Pc
- * Flag Eshift Sshift Rbond Ebind IntDOF flag exp
- ANEOS6 0 0. 0. 0.E-8 3.2 0. 1. 1.8
- *ANEOS6 1 0. 0. 0.E-8 3.2 0. 1. 1.8
- *ANEOS6 1 0. 0. 0 0 0. 0 0
- * Zi fi
- aneos7 1 2./3.
- aneos8 8 1./3.
- **************************************************************************
- * ANEOS parameters for serpentine (using LONG option, but setting extra
- * parameters to zero)
- aneos1 -3 'Serpentine' THUG=-1 RHUG=-1 LONG
- aneos2 4 4 2.5 0 0 -5.352e5 0.51 3.892e-2
- aneos3 0.73015 2 2.5e11 0.1871 0 0 0 0
- aneos4 0 3.7778 4.1516 4.25e11 4.3627e12 2.e12 0 0
- aneos5 0. 0 0 0 0 0. 0. 0
- aneos6 0 0 0 0 0 0 0 0
- * Zi fi (composition Mg3Si2O5(OH)4)
- aneos7 12 3./18.
- aneos8 14 2./18.
- aneos8 8 9./18.
- aneos8 1 4./18.
- ******** END input for ANEOS
- *
- *aneos1 -3 'Serpentine' THUG=-1 RHUG=-1
- * includes solid-solid transition, and so does not include solid-liquid melt
- * nel neos rhoref tref pref Bref Grun. Tdebye
- *aneos2 4 4 2.5 0 0 -5.352e5 0.51 3.892e-2
- * Tg 3C24 Es Tmelt C53 C54 H0 C41
- *aneos3 0.73015 2 2.5e11 0.1871 0 0 0 0
- * rhomin D1 D2 D3 D4 D5 Hf -rholiq
- *aneos4 0 3.7778 4.1516 4.25e11 4.3627e12 2.e12 0 0
- * Up Lo alpha beta gamma C60 C61 C62
- * alpha, beta, gamma <1/2; gamma>beta
- *aneos5 0. 0 0 0 0 0. 0. 0
- * Flag Eshift Sshift
- *aneos6 1 0 0 0 0 0 0 0
- * Zi fi (composition Mg3Si2O5(OH)4)
- *aneos7 12 3./18.
- *aneos8 14 2./18.
- *aneos8 8 9./18.
- *aneos8 1 4./18.
- **************************************************************************
- ANEOS -4 'ANEOS DUNITE WITH MOLECULES' RHUG=-1 THUG=-1. LONG
- * includes solid-solid, and so does not include solid-liquid melt
- * nelem type rho0 temp0(eV) press0 B0/-Cbulk Grun Tdebye(eV)
- ANEOS2 3 4 3.32 0. 0. -6.6E5 .82 0.057
- *
- * Critical Pt. Adj Thermal Conduction
- * S 3*C24 Esep Tmelt C53 C54 H0 C41
- ANEOS3 0.86 2. 1.3E11 0.19 0. 0. 0. 0.
- *
- * Solid-solid phase transition data
- * rhomin D1 D2 D3 D4 D5 Hfusion -rholiq
- ANEOS4 0. 4.65 4.9 6.6E11 3.5E12 1.3E13 0. 0.
- *
- * Cold comp. limits Liquid EOS params Interpolation params
- * Up L0 alpha beta gamma C60 C61 C62
- ANEOS5 0. 0. 0. 0. 0. 0. 0. 0.
- *
- * Ionization model Reactive chemistry Molecular Clusters Pc
- * Flag Eshift Sshift Rbond Ebind IntDOF flag exp
- ANEOS6 1 0. 0. 1.5E-8 8. 0. 1. 1.25
- *
- * Elements in material (number must = nelem)
- * Z Atomic Fraction
- ANEOS7 8 0.571
- ANEOS8 12 0.286
- ANEOS9 14 0.143
- **************************************************************************
- * new LONG version of IRON 11-2-01
- * ANEOS parameters for Iron (using LONG option, but setting extra parameters
- * to zero)
- *ANEOS 'IRON 2 - GAMMA IRON MELT' TUNIT=EV
- ANEOS1 -5 'IRON-2' RHUG=-1 THUG=-1 LONG
- ANEOS2 1. 4. 7.85 0. 0. 1.45E12 1.690 -.0400
- ANEOS3 0.0 2. 8.200E10 .15588 0.0 0.0 0.0 0.0
- ANEOS4 0.0 0.0 0.0 0.0 0.0 0.0 2.471E9 0.955
- ANEOS5 0. 0. 0. 0. 0. 0. 0. 0.
- ANEOS6 0 0. 0. 0. 0. 0. 0. 0.
- ANEOS5 26. 1.
- *
- *ANEOS1 -5 'IRON-2' RHUG=-1 THUG=-1
- * V1 V2 V3 V4 V5 V6 V7 V8
- *ANEOS2 1 4 7.85 0. 0. 1.45E12 1.690 -.0400
- * V9 V10 V11 V12 V13 V14 V15 V16
- *ANEOS3 0.0 2. 8.200E10 .15588 0.0 0.0 0.0 0.0
- * V17 V18 V19 V20 V21 V22 V23 V24
- *ANEOS4 0.0 0.0 0.0 0.0 0.0 0.0 2.471E9 0.955
- * Z(I) F(I)
- *ANEOS5 26. 1.