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added Anderson (1989) and Dorogokupets and Oganov (2007) calibrants #607

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49 changes: 49 additions & 0 deletions burnman/calibrants/Anderson_1989.py
Original file line number Diff line number Diff line change
@@ -0,0 +1,49 @@
# This file is part of BurnMan - a thermoelastic and thermodynamic toolkit for
# the Earth and Planetary Sciences
# Copyright (C) 2012 - 2024 by the BurnMan team, released under the GNU
# GPL v2 or later.

import numpy as np
from burnman.eos.birch_murnaghan import BirchMurnaghanBase as BM3
from burnman.classes.calibrant import Calibrant
from burnman.utils.unitcell import molar_volume_from_unit_cell_volume

"""
Anderson_1989
^^^^^^^^^^^^^
"""


class Au(Calibrant):
"""
The Au pressure standard reported by
Anderson et al. (1989; https://doi.org/10.1063/1.342969).
"""

def __init__(self):
def _pressure(volume, temperature, params):

# Isothermal pressure (GPa)
pressure_model = BM3()
P0 = pressure_model.pressure(params["T_0"], volume, params)

# Thermal pressure
Pth_rel = (7.14e6 + params["dKTdT"] * np.log(params["V_0"] / volume)) * (
temperature - 300.0
)

return P0 + Pth_rel

Z = 4.0
_params = {
"V_0": molar_volume_from_unit_cell_volume(67.850, Z),
"K_0": 166.65e9,
"Kprime_0": 5.4823,
"dKTdT": -11.5e6,
"n": 1.0,
"T_0": 300.0,
"P_0": 0.0,
"Z": Z,
}

Calibrant.__init__(self, _pressure, "pressure", _params)
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