Detailed Balance¶

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In [1]:

import matplotlib.pyplot as plt

%matplotlib widget
import numpy as np

from easydynamics.utils import _detailed_balance_factor as detailed_balance_factor

import matplotlib.pyplot as plt %matplotlib widget import numpy as np from easydynamics.utils import _detailed_balance_factor as detailed_balance_factor

In [2]:

temperatures = [1, 10, 100]
temperature_unit = 'K'
energy = np.linspace(-1, 1, 100)
# energy=1.0
energy_unit = 'meV'

plt.figure()
for temperature in temperatures:
    DBF = detailed_balance_factor(energy, temperature, energy_unit, temperature_unit)
    plt.plot(energy, DBF, label=f'T={temperature} K')
plt.legend()
plt.xlabel('Energy transfer (meV)')
plt.ylabel('Detailed balance factor')
plt.title(
    'Detailed balance factor for different temperatures, normalized to 1 at zero energy transfer'
)
plt.show()

temperatures = [1, 10, 100] temperature_unit = 'K' energy = np.linspace(-1, 1, 100) # energy=1.0 energy_unit = 'meV' plt.figure() for temperature in temperatures: DBF = detailed_balance_factor(energy, temperature, energy_unit, temperature_unit) plt.plot(energy, DBF, label=f'T={temperature} K') plt.legend() plt.xlabel('Energy transfer (meV)') plt.ylabel('Detailed balance factor') plt.title( 'Detailed balance factor for different temperatures, normalized to 1 at zero energy transfer' ) plt.show()

In [3]:

temperatures = [1, 10, 100]
temperature_unit = 'K'
energy = np.linspace(-1, 1, 100)
# energy=1.0
energy_unit = 'meV'

plt.figure()
for temperature in temperatures:
    DBF = detailed_balance_factor(
        energy, temperature, energy_unit, temperature_unit, divide_by_temperature=False
    )
    plt.plot(energy, DBF, label=f'T={temperature} K')
plt.legend()
plt.xlabel('Energy transfer (meV)')
plt.ylabel('Detailed balance factor')
plt.title('Detailed balance factor for different temperatures, not normalized')
plt.show()

temperatures = [1, 10, 100] temperature_unit = 'K' energy = np.linspace(-1, 1, 100) # energy=1.0 energy_unit = 'meV' plt.figure() for temperature in temperatures: DBF = detailed_balance_factor( energy, temperature, energy_unit, temperature_unit, divide_by_temperature=False ) plt.plot(energy, DBF, label=f'T={temperature} K') plt.legend() plt.xlabel('Energy transfer (meV)') plt.ylabel('Detailed balance factor') plt.title('Detailed balance factor for different temperatures, not normalized') plt.show()

In [4]:

import scipp as sc

temperatures = [1, 10, 100]
temperature_unit = 'K'
energy = np.linspace(-1, 1, 100)
# energy=1.0
energy_unit = 'meV'

plt.figure()
for temperature in temperatures:
    DBF = detailed_balance_factor(
        energy, temperature, sc.Unit('meV'), sc.Unit('K'), divide_by_temperature=False
    )
    plt.plot(energy, DBF, label=f'T={temperature} K')
plt.legend()
plt.xlabel('Energy transfer (meV)')
plt.ylabel('Detailed balance factor')
plt.title('Detailed balance factor for different temperatures, not normalized')
plt.show()

import scipp as sc temperatures = [1, 10, 100] temperature_unit = 'K' energy = np.linspace(-1, 1, 100) # energy=1.0 energy_unit = 'meV' plt.figure() for temperature in temperatures: DBF = detailed_balance_factor( energy, temperature, sc.Unit('meV'), sc.Unit('K'), divide_by_temperature=False ) plt.plot(energy, DBF, label=f'T={temperature} K') plt.legend() plt.xlabel('Energy transfer (meV)') plt.ylabel('Detailed balance factor') plt.title('Detailed balance factor for different temperatures, not normalized') plt.show()