Skip to content

Commit

Permalink
Added example data for demonstration
Browse files Browse the repository at this point in the history
  • Loading branch information
Sven Jachalke committed Jan 5, 2018
1 parent cdd7017 commit 423d286
Show file tree
Hide file tree
Showing 4 changed files with 126 additions and 50 deletions.
3 changes: 1 addition & 2 deletions .gitignore
View file
Original file line number Diff line number Diff line change
Expand Up @@ -19,5 +19,4 @@ DEF-DissCode.py
*.csv

# Output Files
*.pdf
*.txt
*.pdf
54 changes: 6 additions & 48 deletions DEF.py
View file
Original file line number Diff line number Diff line change
Expand Up @@ -127,54 +127,11 @@ def Temp2eV(temperature):
# vary_factor: True = factor will be fitted, False = factor remains untouched
# vary_temperatures: True = temperatur will be fitted, False = temperature remains untouched

#Lines:1977 params (only on low T data!) -- use of 2x Einstein without Debye
#factors = [ 1e-10, 2.556e-5, 1.4337e-4, 0, 0, 0, 0]
#temperatures = [ 0.1, 116.54, 313.669, 0, 0, 0, 0]
#vary_factors = [ False, True, True, False, False, False, False]
#vary_temperatures =[ False, False, False, False, False, False, False]
#redX2: 5.061385e-11

##1x Einstein
factors = [ 1.4755e-4, 7.42261e-4, 0, 0, 0, 0, 0]
temperatures = [ 339.061, 2030,71, 0, 0, 0, 0, 0]
vary_factors = [ True, True, False, False, False, False, False]
vary_temperatures =[ True, True, False, False, False, False, False]
##redX2: 4.481420e-12 --> T_D näher an CV Daten!

##1x Einstein mit ThomasDaten
#factors = [ 1.563e-4, 8.90189e-4, 0, 0, 0, 0, 0]
#temperatures = [ 358.969, 2189.93, 0, 0, 0, 0, 0]
#vary_factors = [ True, True, False, False, False, False, False]
#vary_temperatures =[ True, False, False, False, False, False, False]
##redX2: 7.405409e-12 --> etwas schlechter

#1x Einstein mit 1522cm und mittlerer Debye-Temperatur aus Literatur (451K)
#factors = [ 1.563e-4, 8.36e-4, 0, 0, 0, 0, 0]
#temperatures = [ 451, 2189.93, 0, 0, 0, 0, 0]
#vary_factors = [ True, True, True, False, False, False, False]
#vary_temperatures =[ False, False, False, False, False, False, False]
#redX2: 7.405409e-12 --> etwas schlechter

#2x Einstein
#factors = [ 3.996e-4, 7.396e-4, 1.071e-4, 0, 0, 0, 0]
#temperatures = [ 214.18, 2026,33, 286.31, 0, 0, 0, 0]
#vary_factors = [ True, True, True, False, False, False, False]
#vary_temperatures =[ True, True, True, False, False, False, False]
#redX2: 4.541127e-12

#2x Einstein mit ThomasDaten -- 1755cm-1 Bande sinnlos!
#factors = [ 1.563e-4, 8.90189e-4, 5.6997e-10, 0, 0, 0, 0]
#temperatures = [ 358.969, 2189.93, 2525.17, 0, 0, 0, 0]
#vary_factors = [ True, True, True, False, False, False, False]
#vary_temperatures =[ False, False, False, False, False, False, False]
#redX2: 7.405409e-12 --> etwas schlechter

#2x Einstein mit ThomasDaten -- 600cm-1 Bande sinnlos!
#factors = [ 1.563e-4, 1e-4, 8.90189e-4, 0, 0, 0, 0]
#temperatures = [ 287.76, 863.3, 2189.93, 0, 0, 0, 0]
#vary_factors = [ True, True, True, False, False, False, False]
#vary_temperatures =[ False, False, False, False, False, False, False]
#redX2: 7.405409e-12 --> etwas schlechter

T = linspace(T_start,T_end,T_step)

Expand All @@ -187,11 +144,11 @@ def Temp2eV(temperature):
# literature and own data. In the end a combined pandas DataFrame is created)

# Literature data
Lit_data = pd.read_csv("LT-LandB-77L2-Lines1977.txt",skiprows=1,names=['temp','p'],delimiter=',',decimal='.')
Lit_data = pd.read_csv("ExampleData/LT-LandB-77L2-Lines1977.txt",skiprows=1,names=['temp','p'],delimiter=',',decimal='.')
Lit_data['p'] = -abs(Lit_data.p)

# own data
Own_data = pd.read_csv("2017-06-27_15-30_LiTaO3-C-LT-F1_SineWave+LinRamp_PyroData.txt",skiprows=1,usecols=[1,2,8],names=['temp','p','perror'],delimiter='\t')
Own_data = pd.read_csv("ExampleData/2017-06-27_15-30_LiTaO3-C-LT-F1_SineWave+LinRamp_PyroData.txt",skiprows=1,usecols=[1,2,8],names=['temp','p','perror'],delimiter='\t')
Own_data['p'] = -abs(Own_data.p) #+ 5e-6

# fit combined data set of Shaldin and own data
Expand Down Expand Up @@ -236,15 +193,14 @@ def Temp2eV(temperature):

# experimental data
ax.plot(Lit_data.temp,Lit_data.p*1e6,color=tubafblue(),linestyle='',marker='o',label=r'\textsc{Lines} \textit{et al.}, Phys. Rev. Lett., Vol. 39(21), pp. 1362--1365, 1977')
#ax.plot(LN_Shaldin_air.temp,LN_Shaldin_air.p*1e6,color=tubafred(),linestyle='',marker='o',label='Shaldin2008 - air (1000 K, 7h)')
#ax.plot(LN_init.temp,LN_init.p*1e6,color=tubafgreen(),linestyle='',marker='o',label='own data ($+\SI{5}{\micro\coulomb\per\kelvin\per\square\meter}$)')
ax.plot(Own_data.temp,Own_data.p*1e6,color=tubafgreen(),linestyle='',marker='o',label='own data')

# plot contributions
for i in range(n):
# calculate simulated p --------------------------------------------------
p_simulation = Debye_Einstein_Modell(fitted_params,T,data=None,n_Einstein=i)-fitted_params['A'].value*Debye(fitted_params['T_D']/T)

# plot and labels for each contribution
if i==0:
p_simulation = Debye_Einstein_Modell(fitted_params,T,data=None,n_Einstein=i)
B = ('%.2e'%fitted_params['A']).split('e-')
Expand Down Expand Up @@ -278,12 +234,14 @@ def Temp2eV(temperature):
# plot complete fit
p_simulation = Debye_Einstein_Modell(fitted_params,T,data=None,n_Einstein=n_Einstein)
ax.plot(T,-p_simulation*1e6,label=r'complete fit',color='k')


# plot adjustments
ax.legend(loc=3)
ax.grid()
ax.set_xlabel(r'$T$ (K)')
ax.set_ylabel(r'$p$ (\si{\micro\coulomb\per\kelvin\per\square\meter})')
ax.set_ylim(-450,0)

# figure layout and saving
f.tight_layout()
f.savefig(name+'.pdf')
Loading

0 comments on commit 423d286

Please sign in to comment.