# This file is part of BurnMan - a thermoelastic and thermodynamic toolkit
# for the Earth and Planetary Sciences
# Copyright (C) 2012 - 2017 by the BurnMan team, released under the GNU
# GPL v2 or later.
"""
Sundman 1991 models for iron
Written in the Holland and Powell, 2011 form
EoS terms for bcc are from HP_2011_ds62 for iron
EoS terms for fcc are from an unpublished calibration
(R. Myhill, 02/2017)
"""
from ..classes.mineral import Mineral
from ..utils.chemistry import formula_mass
"""
ENDMEMBERS
"""
[docs]
class bcc_iron(Mineral):
def __init__(self):
formula = {"Fe": 1.0}
self.params = {
"name": "BCC iron",
"formula": formula,
"equation_of_state": "hp_tmt",
"H_0": 9149.0,
"S_0": 36.868,
"V_0": 7.09e-06,
"Cp": [21.09, 0.0101455, -221508.0, 47.1947],
"a_0": 3.56e-05,
"K_0": 1.64e11,
"Kprime_0": 5.16,
"Kdprime_0": -3.1e-11,
"n": sum(formula.values()),
"molar_mass": formula_mass(formula),
}
self.property_modifiers = [
[
"magnetic_chs",
{
"structural_parameter": 0.4,
"curie_temperature": [1043.0, 0.0],
"magnetic_moment": [2.22, 0.0],
},
]
]
Mineral.__init__(self)
[docs]
class fcc_iron(Mineral):
def __init__(self):
formula = {"Fe": 1.0}
self.params = {
"name": "FCC iron",
"formula": formula,
"equation_of_state": "hp_tmt",
"H_0": 7973.0,
"S_0": 35.907,
"V_0": 6.93863394593e-06,
"Cp": [22.24, 0.0088656, -221517.0, 47.1998],
"a_0": 5.13e-05,
"K_0": 1.539e11,
"Kprime_0": 5.2,
"Kdprime_0": -3.37e-11,
"n": sum(formula.values()),
"molar_mass": formula_mass(formula),
}
self.property_modifiers = [
[
"magnetic_chs",
{
"structural_parameter": 0.28,
"curie_temperature": [201.0, 0.0],
"magnetic_moment": [2.1, 0.0],
},
]
]
Mineral.__init__(self)