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paper_benchmark.py
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paper_benchmark.py
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# This file is part of BurnMan - a thermoelastic and thermodynamic toolkit for the Earth and Planetary Sciences
# Copyright (C) 2012 - 2015 by the BurnMan team, released under the GNU
# GPL v2 or later.
"""
paper_benchmark
---------------
This script reproduces the benchmark in :cite:`Cottaar2014`, Figure 3.
"""
from __future__ import absolute_import
import os
import sys
import numpy as np
import matplotlib.pyplot as plt
if not os.path.exists("burnman") and os.path.exists("../../burnman"):
sys.path.insert(1, os.path.abspath("../.."))
sys.path.insert(1, os.path.abspath("."))
import burnman
figsize = (6, 5)
prop = {"size": 12}
plt.rc("text", usetex=True)
plt.rc("font", family="sans-serif")
figure = plt.figure(dpi=100, figsize=figsize)
def check_slb_fig7_txt():
"""
Calculates all values for forsterite and benchmarks with values from Stixrude and Lithgow-Bertelloni (personal communication)
"""
forsterite = burnman.Mineral()
forsterite.params = {
"name": "forsterite",
"V_0": 43.603e-6,
"K_0": 127.955e9,
"Kprime_0": 4.232,
"G_0": 81.6e9,
"Gprime_0": 1.4,
"molar_mass": 0.140695,
"n": 7.0,
"Debye_0": 809.183,
"grueneisen_0": 0.993,
"q_0": 2.093,
"eta_s_0": 2.364,
}
forsterite.set_method("slb3")
data = np.loadtxt("slb_benchmark.txt", skiprows=1)
temperature = np.array(data[:, 2])
pressure = np.array(data[:, 0])
rho = np.array(data[:, 3])
frho = np.empty_like(rho)
rho_comp = np.empty_like(rho)
Kt = np.array(data[:, 4])
fKt = np.empty_like(Kt)
Kt_comp = np.empty_like(Kt)
Ks = np.array(data[:, 5])
fKs = np.empty_like(Ks)
Ks_comp = np.empty_like(Ks)
G = np.array(data[:, 6])
fG = np.empty_like(G)
G_comp = np.empty_like(G)
VB = np.array(data[:, 7])
fVB = np.empty_like(VB)
VB_comp = np.empty_like(VB)
VS = np.array(data[:, 8])
fVS = np.empty_like(VS)
VS_comp = np.empty_like(VS)
VP = np.array(data[:, 9])
fVP = np.empty_like(VP)
VP_comp = np.empty_like(VP)
vol = np.array(data[:, 10])
fvol = np.empty_like(vol)
vol_comp = np.empty_like(vol)
alpha = np.array(data[:, 11])
falpha = np.empty_like(alpha)
alpha_comp = np.empty_like(alpha)
Cp = np.array(data[:, 12])
fCp = np.empty_like(Cp)
Cp_comp = np.empty_like(Cp)
gr = np.array(data[:, 13])
gr_comp = np.empty_like(gr)
for i in range(len(temperature)):
forsterite.set_state(pressure[i], temperature[i])
rho_comp[i] = 100.0 * (forsterite.density / 1000.0 - rho[i]) / rho[i]
Kt_comp[i] = (
100.0 * (forsterite.isothermal_bulk_modulus / 1.0e9 - Kt[i]) / Kt[i]
)
Ks_comp[i] = 100.0 * (forsterite.adiabatic_bulk_modulus / 1.0e9 - Ks[i]) / Ks[i]
G_comp[i] = 100.0 * (forsterite.shear_modulus / 1.0e9 - G[i]) / G[i]
VB_comp[i] = 100.0 * (forsterite.v_phi / 1000.0 - VB[i]) / VB[i]
VS_comp[i] = 100.0 * (forsterite.v_s / 1000.0 - VS[i]) / VS[i]
VP_comp[i] = 100.0 * (forsterite.v_p / 1000.0 - VP[i]) / VP[i]
vol_comp[i] = 100.0 * (forsterite.molar_volume * 1.0e6 - vol[i]) / vol[i]
alpha_comp[i] = (
100.0 * (forsterite.thermal_expansivity / 1.0e-5 - alpha[i]) / (alpha[-1])
)
Cp_comp[i] = (
100.0
* (
forsterite.molar_heat_capacity_p
/ forsterite.params["molar_mass"]
/ 1000.0
- Cp[i]
)
/ (Cp[-1])
)
gr_comp[i] = (forsterite.grueneisen_parameter - gr[i]) / gr[i]
plt.plot(temperature, rho_comp, label=r"$\rho$")
plt.plot(temperature, Kt_comp, label=r"$K_S$")
plt.plot(temperature, Ks_comp, label=r"$K_T$")
plt.plot(temperature, G_comp, label=r"$G$")
plt.plot(temperature, VS_comp, label=r"$V_S$")
plt.plot(temperature, VP_comp, label=r"$V_P$")
plt.plot(temperature, VB_comp, label=r"$V_\phi$")
plt.plot(temperature, vol_comp, label=r"$V$")
plt.plot(temperature, alpha_comp, label=r"$\alpha$")
plt.plot(temperature, Cp_comp, label=r"$c_P$")
plt.plot(temperature, gr_comp, label=r"$\gamma$")
plt.xlim([0, 2200])
plt.ylim([-0.002, 0.002])
plt.yticks([-0.002, -0.001, 0, 0.001, 0.002])
plt.xticks([0, 800, 1600, 2200])
plt.xlabel("Temperature (K)")
plt.ylabel("Difference (\%)")
plt.legend(loc="lower center", prop=prop, ncol=4)
if "RUNNING_TESTS" not in globals():
plt.savefig("benchmark1.pdf", bbox_inches="tight")
plt.show()
if __name__ == "__main__":
check_slb_fig7_txt()