Binary Ultracold Neutral Plasma Mixture
Contents
Binary Ultracold Neutral Plasma Mixture#
Prelude#
The YAML input file can be found at input_file and this notebook at notebook.
[1]:
# Import the usual libraries
%pylab
%matplotlib inline
import os
plt.style.use('MSUstyle')
# Import sarkas
from sarkas.processes import Simulation, PostProcess, PreProcess
# Create the file path to the YAML input file
input_file_name = os.path.join('input_files', 'Binary_UNP.yaml')
Using matplotlib backend: <object object at 0x7fc7a4460710>
Populating the interactive namespace from numpy and matplotlib
[2]:
sim = Simulation(input_file_name)
sim.setup(read_yaml=True)
sim.run()
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An open-source pure-python molecular dynamics suite for non-ideal plasmas.
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Simulation
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Job ID: YbCa_fmm
Job directory: Simulations/YbCa_fmm
Equilibration dumps directory:
{'Simulations/YbCa_fmm/Simulation/Equilibration/dumps'}
Production dumps directory:
{'Simulations/YbCa_fmm/Simulation/Production/dumps'}
Equilibration Thermodynamics file:
Simulations/YbCa_fmm/Simulation/Equilibration/EquilibrationEnergy_YbCa_fmm.csv
Production Thermodynamics file:
Simulations/YbCa_fmm/Simulation/Production/ProductionEnergy_YbCa_fmm.csv
PARTICLES:
Total No. of particles = 7055
No. of species = 2
Species ID: 0
Name: Yb
No. of particles = 5000
Number density = 2.920000e+16 [N/m^3]
Atomic weight = 1.740000e+02 [a.u.]
Mass = 2.910362e-25 [kg]
Mass density = 8.498257e-09 [kg/m^3]
Charge number/ionization degree = 1.0000
Charge = 1.602177e-19 [C]
Temperature = 2.000000e-03 [K] = 1.723467e-07 [eV]
Debye Length = 1.806048e-08 [m]
Plasma Frequency = 1.705509e+07 [rad/s]
Species ID: 1
Name: Ca
No. of particles = 2055
Number density = 1.200000e+16 [N/m^3]
Atomic weight = 4.000000e+01 [a.u.]
Mass = 6.690488e-26 [kg]
Mass density = 8.028585e-10 [kg/m^3]
Charge number/ionization degree = 1.0000
Charge = 1.602177e-19 [C]
Temperature = 2.000000e-03 [K] = 1.723467e-07 [eV]
Debye Length = 2.817280e-08 [m]
Plasma Frequency = 2.280330e+07 [rad/s]
ELECTRON BACKGROUND PROPERTIES:
Number density: n_e = 4.120000e+16 [N/m^3]
Wigner-Seitz radius: a_e = 1.796131e-06 [m]
Temperature: T_e = 9.600000e+01 [K] = 8.272640e-03 [eV]
de Broglie wavelength: lambda_deB = 7.607542e-09 [m]
Thomas-Fermi length: lambda_TF = 3.331138e-06 [m]
Fermi wave number: k_F = 1.068496e+06 [1/m]
Fermi Energy: E_F = 4.349791e-08 [eV]
Relativistic parameter: x_F = 4.126095e-07 --> E_F = 4.345693e-08 [eV]
Degeneracy parameter: Theta = 1.901848e+05
Coupling: r_s = 33941.960621, Gamma_e = 0.096910
Warm Dense Matter Parameter: W = 2.0193e-06
Chemical potential: mu = -1.8518e+01 k_B T_e = -3.5219e+06 E_F
SIMULATION AND INITIAL PARTICLE BOX:
Units: mks
No. of non-zero box dimensions = 3
Wigner-Seitz radius = 1.796131e-06 [m]
Box side along x axis = 3.091685e+01 a_ws = 5.553072e-05 [m]
Box side along y axis = 3.091685e+01 a_ws = 5.553072e-05 [m]
Box side along z axis = 3.091685e+01 a_ws = 5.553072e-05 [m]
Box Volume = 1.712379e-13 [m^3]
Initial particle box side along x axis = 3.091685e+01 a_ws = 5.553072e-05 [m]
Initial particle box side along y axis = 3.091685e+01 a_ws = 5.553072e-05 [m]
Initial particle box side along z axis = 3.091685e+01 a_ws = 5.553072e-05 [m]
Initial particle box Volume = 1.712379e-13 [m^3]
Boundary conditions: open
Equilibration:
No. of equilibration steps = 0
Total equilibration time = 0.0000e+00 [s] ~ 0 w_p T_eq
snapshot interval step = 1
snapshot interval time = 7.0235e-11 [s] = 0.0020 w_p T_snap
Total number of snapshots = 0
Magnetization:
No. of magnetization steps = 0
Total magnetization time = 0.0000e+00 [s] ~ 0 w_p T_eq
snapshot interval step = 1
snapshot interval time = 7.0235e-11 [s] = 0.0020 w_p T_snap
Total number of snapshots = 0
Production:
No. of production steps = 500
Total production time = 3.5118e-08 [s] ~ 0 w_p T_eq
snapshot interval step = 50
snapshot interval time = 3.5118e-09 [s] = 0.1000 w_p T_snap
Total number of snapshots = 10
POTENTIAL: yukawa
screening type : thomas-fermi
screening length = 3.331138e-06 [m]
kappa = 0.5392
Gamma_eff = 4651.69
ALGORITHM: fmm
Tot Force Error = 1.000000e-07
INTEGRATOR:
Equilibration Integrator Type: verlet
Production Integrator Type: verlet
Time step = 7.023527e-11 [s]
Total plasma frequency = 2.847572e+07 [rad/s]
w_p dt = 0.0020 ~ 1/500
-------------------------Initialization Times-------------------------
Potential Initialization Time: 0 sec 13 msec 676 usec 631 nsec
Particles Initialization Time: 0 sec 1 msec 238 usec 927 nsec
Total Simulation Initialization Time: 0 sec 13 msec 676 usec 631 nsec
----------------------------Equilibration-----------------------------
Equilibration Time: 0 sec 15 msec 567 usec 933 nsec
------------------------------Production------------------------------
Production Time: 0 hrs 19 min 17 sec
Total Time: 0 hrs 19 min 17 sec
[3]:
sim.io.dump_xyz(phase ="production")
[4]:
postproc = PostProcess(input_file_name)
postproc.setup(read_yaml=True)
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Postprocessing
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Job ID: YbCa_fmm
Job directory: Simulations/YbCa_fmm
PostProcessing directory:
Simulations/YbCa_fmm/PostProcessing
Equilibration dumps directory: Simulations/YbCa_fmm/Simulation/Equilibration/dumps
Production dumps directory:
Simulations/YbCa_fmm/Simulation/Production/dumps
Equilibration Thermodynamics file:
Simulations/YbCa_fmm/Simulation/Equilibration/EquilibrationEnergy_YbCa_fmm.csv
Production Thermodynamics file:
Simulations/YbCa_fmm/Simulation/Production/ProductionEnergy_YbCa_fmm.csv
[5]:
postproc.therm.setup(postproc.parameters)
[6]:
postproc.therm.temp_energy_plot(postproc)
