Merge pull request #607 from bobmyhill/add_calibs

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

burnman/calibrants/Anderson_1989.py

@@ -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)