Kinetic surface model#
This MMS case verifies the implementation of the SurfaceKinetics boundary condition in FESTIM. We will consider a time-dependent case of hydrogen diffusion on domain \(\Omega: x\in[0,1] \cup t\in[0, 5]\) with a homogeneous diffusion coefficient \(D\), and a Dirichlet boundary condition on the rear domain side.
The problem is:
with \(J_{\mathrm{bs}} = k_{\mathrm{bs}} c_{\mathrm{m}} \lambda_{\mathrm{abs}} \left(1 - \dfrac{c_\mathrm{s}}{n_{\mathrm{surf}}}\right)\), \(J_{\mathrm{sb}} = k_{\mathrm{sb}} c_{\mathrm{s}} \left(1 - \dfrac{c_{\mathrm{m}}}{n_\mathrm{IS}}\right)\), \(\lambda_{\mathrm{abs}}=n_\mathrm{surf}/n_\mathrm{IS}\).
The manufactured exact solution for mobile concentration is:
For this problem, we choose:
Injecting these parameters and the exact solution for solute H, we obtain:
We can then run a FESTIM model with these values and compare the numerical solutions with \(c_\mathrm{m, exact}\) and \(c_\mathrm{s, exact}\).
FESTIM code#
Show code cell source
import festim as F
import matplotlib.pyplot as plt
import numpy as np
n_IS = 20
n_surf = 5
D = 5
lambda_IS = 2
k_bs = n_IS / n_surf
k_sb = 2 * n_IS / n_surf
solute_source = 2 * (1 - 2 * D)
exact_solution_cm = lambda x, t: 1 + 2 * x**2 + x + 2 * t
exact_solution_cs = (
lambda t: n_surf * (1 + 2 * t + 2 * lambda_IS - D) / (2 * n_IS - 1 - 2 * t)
)
solute_source = 2 * (1 - 2 * D)
def run_sim(export_times=None):
# Create the FESTIM model
my_model = F.Simulation()
my_model.mesh = F.MeshFromVertices(np.linspace(0, 1, 1000))
my_model.sources = [F.Source(solute_source, volume=1, field="solute")]
def J_vs(T, surf_conc, t):
return (
2 * n_surf * (2 * n_IS + 2 * lambda_IS - D) / (2 * n_IS - 1 - 2 * t) ** 2
+ 2 * lambda_IS
- D
)
my_model.boundary_conditions = [
F.DirichletBC(
surfaces=[2], value=exact_solution_cm(x=F.x, t=F.t), field="solute"
),
F.SurfaceKinetics(
k_sb=k_sb,
k_bs=k_bs,
lambda_IS=lambda_IS,
n_surf=n_surf,
n_IS=n_IS,
J_vs=J_vs,
surfaces=1,
initial_condition=exact_solution_cs(t=0),
t=F.t,
),
]
my_model.initial_conditions = [
F.InitialCondition(field="solute", value=exact_solution_cm(x=F.x, t=F.t))
]
my_model.materials = F.Material(id=1, D_0=D, E_D=0)
my_model.T = 300 # this is ignored since no parameter is T-dependent
my_model.settings = F.Settings(
absolute_tolerance=1e-10, relative_tolerance=1e-10, transient=True, final_time=5
)
my_model.dt = F.Stepsize(initial_value=5e-3, milestones=export_times)
derived_quantities = F.DerivedQuantities(
[F.AdsorbedHydrogen(surface=1)], show_units=True
)
my_model.exports = [
F.TXTExport("solute", filename="./mobile_conc.txt", times=export_times),
derived_quantities,
]
my_model.initialise()
my_model.run()
return derived_quantities
Comparison with exact solution#
Show code cell source
def norm(x, c_comp, c_ex):
return np.sqrt(np.trapz(y=(c_comp - c_ex) ** 2, x=x))
export_times = [1, 2, 3, 4, 5]
adsorbed_data = run_sim(export_times)
solute_data = np.genfromtxt("mobile_conc.txt", names=True, delimiter=",")
Show code cell output
Defining initial values
Defining variational problem
Defining source terms
Defining boundary conditions
Time stepping...
Calling FFC just-in-time (JIT) compiler, this may take some time.
Calling FFC just-in-time (JIT) compiler, this may take some time.
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30.0 % 1.5e+00 s Elapsed time so far: 3.0 s
30.1 % 1.5e+00 s Elapsed time so far: 3.0 s
30.2 % 1.5e+00 s Elapsed time so far: 3.0 s
30.3 % 1.5e+00 s Elapsed time so far: 3.1 s
30.4 % 1.5e+00 s Elapsed time so far: 3.1 s
30.5 % 1.5e+00 s Elapsed time so far: 3.1 s
30.6 % 1.5e+00 s Elapsed time so far: 3.1 s
30.7 % 1.5e+00 s Elapsed time so far: 3.1 s
30.8 % 1.5e+00 s Elapsed time so far: 3.1 s
30.9 % 1.5e+00 s Elapsed time so far: 3.1 s
31.0 % 1.5e+00 s Elapsed time so far: 3.1 s
31.1 % 1.6e+00 s Elapsed time so far: 3.1 s
31.2 % 1.6e+00 s Elapsed time so far: 3.1 s
31.3 % 1.6e+00 s Elapsed time so far: 3.1 s
31.4 % 1.6e+00 s Elapsed time so far: 3.1 s
31.5 % 1.6e+00 s Elapsed time so far: 3.1 s
31.6 % 1.6e+00 s Elapsed time so far: 3.1 s
31.7 % 1.6e+00 s Elapsed time so far: 3.1 s
31.8 % 1.6e+00 s Elapsed time so far: 3.1 s
31.9 % 1.6e+00 s Elapsed time so far: 3.2 s
32.0 % 1.6e+00 s Elapsed time so far: 3.2 s
32.1 % 1.6e+00 s Elapsed time so far: 3.2 s
32.2 % 1.6e+00 s Elapsed time so far: 3.2 s
32.3 % 1.6e+00 s Elapsed time so far: 3.2 s
32.4 % 1.6e+00 s Elapsed time so far: 3.2 s
32.5 % 1.6e+00 s Elapsed time so far: 3.2 s
32.6 % 1.6e+00 s Elapsed time so far: 3.2 s
32.7 % 1.6e+00 s Elapsed time so far: 3.2 s
32.8 % 1.6e+00 s Elapsed time so far: 3.2 s
32.9 % 1.6e+00 s Elapsed time so far: 3.2 s
33.0 % 1.6e+00 s Elapsed time so far: 3.2 s
33.1 % 1.7e+00 s Elapsed time so far: 3.2 s
33.2 % 1.7e+00 s Elapsed time so far: 3.2 s
33.3 % 1.7e+00 s Elapsed time so far: 3.2 s
33.4 % 1.7e+00 s Elapsed time so far: 3.2 s
33.5 % 1.7e+00 s Elapsed time so far: 3.3 s
33.6 % 1.7e+00 s Elapsed time so far: 3.3 s
33.7 % 1.7e+00 s Elapsed time so far: 3.3 s
33.8 % 1.7e+00 s Elapsed time so far: 3.3 s
33.9 % 1.7e+00 s Elapsed time so far: 3.3 s
34.0 % 1.7e+00 s Elapsed time so far: 3.3 s
34.1 % 1.7e+00 s Elapsed time so far: 3.3 s
34.2 % 1.7e+00 s Elapsed time so far: 3.3 s
34.3 % 1.7e+00 s Elapsed time so far: 3.3 s
34.4 % 1.7e+00 s Elapsed time so far: 3.3 s
34.5 % 1.7e+00 s Elapsed time so far: 3.3 s
34.6 % 1.7e+00 s Elapsed time so far: 3.3 s
34.7 % 1.7e+00 s Elapsed time so far: 3.3 s
34.8 % 1.7e+00 s Elapsed time so far: 3.4 s
34.9 % 1.7e+00 s Elapsed time so far: 3.4 s
35.0 % 1.7e+00 s Elapsed time so far: 3.4 s
35.1 % 1.8e+00 s Elapsed time so far: 3.4 s
35.2 % 1.8e+00 s Elapsed time so far: 3.4 s
35.3 % 1.8e+00 s Elapsed time so far: 3.4 s
35.4 % 1.8e+00 s Elapsed time so far: 3.4 s
35.5 % 1.8e+00 s Elapsed time so far: 3.4 s
35.6 % 1.8e+00 s Elapsed time so far: 3.4 s
35.7 % 1.8e+00 s Elapsed time so far: 3.4 s
35.8 % 1.8e+00 s Elapsed time so far: 3.4 s
35.9 % 1.8e+00 s Elapsed time so far: 3.4 s
36.0 % 1.8e+00 s Elapsed time so far: 3.4 s
36.1 % 1.8e+00 s Elapsed time so far: 3.4 s
36.2 % 1.8e+00 s Elapsed time so far: 3.4 s
36.3 % 1.8e+00 s Elapsed time so far: 3.5 s
36.4 % 1.8e+00 s Elapsed time so far: 3.5 s
36.5 % 1.8e+00 s Elapsed time so far: 3.5 s
36.6 % 1.8e+00 s Elapsed time so far: 3.5 s
36.7 % 1.8e+00 s Elapsed time so far: 3.5 s
36.8 % 1.8e+00 s Elapsed time so far: 3.5 s
36.9 % 1.8e+00 s Elapsed time so far: 3.5 s
37.0 % 1.8e+00 s Elapsed time so far: 3.5 s
37.1 % 1.9e+00 s Elapsed time so far: 3.5 s
37.2 % 1.9e+00 s Elapsed time so far: 3.5 s
37.3 % 1.9e+00 s Elapsed time so far: 3.5 s
37.4 % 1.9e+00 s Elapsed time so far: 3.5 s
37.5 % 1.9e+00 s Elapsed time so far: 3.5 s
37.6 % 1.9e+00 s Elapsed time so far: 3.5 s
37.7 % 1.9e+00 s Elapsed time so far: 3.6 s
37.8 % 1.9e+00 s Elapsed time so far: 3.6 s
37.9 % 1.9e+00 s Elapsed time so far: 3.6 s
38.0 % 1.9e+00 s Elapsed time so far: 3.6 s
38.1 % 1.9e+00 s Elapsed time so far: 3.6 s
38.2 % 1.9e+00 s Elapsed time so far: 3.6 s
38.3 % 1.9e+00 s Elapsed time so far: 3.6 s
38.4 % 1.9e+00 s Elapsed time so far: 3.6 s
38.5 % 1.9e+00 s Elapsed time so far: 3.6 s
38.6 % 1.9e+00 s Elapsed time so far: 3.6 s
38.7 % 1.9e+00 s Elapsed time so far: 3.6 s
38.8 % 1.9e+00 s Elapsed time so far: 3.6 s
38.9 % 1.9e+00 s Elapsed time so far: 3.6 s
39.0 % 1.9e+00 s Elapsed time so far: 3.6 s
39.1 % 2.0e+00 s Elapsed time so far: 3.7 s
39.2 % 2.0e+00 s Elapsed time so far: 3.7 s
39.3 % 2.0e+00 s Elapsed time so far: 3.7 s
39.4 % 2.0e+00 s Elapsed time so far: 3.7 s
39.5 % 2.0e+00 s Elapsed time so far: 3.7 s
39.6 % 2.0e+00 s Elapsed time so far: 3.7 s
39.7 % 2.0e+00 s Elapsed time so far: 3.7 s
39.8 % 2.0e+00 s Elapsed time so far: 3.7 s
39.9 % 2.0e+00 s Elapsed time so far: 3.7 s
40.0 % 2.0e+00 s Elapsed time so far: 3.7 s
40.1 % 2.0e+00 s Elapsed time so far: 3.7 s
40.2 % 2.0e+00 s Elapsed time so far: 3.7 s
40.3 % 2.0e+00 s Elapsed time so far: 3.7 s
40.4 % 2.0e+00 s Elapsed time so far: 3.7 s
40.5 % 2.0e+00 s Elapsed time so far: 3.8 s
40.6 % 2.0e+00 s Elapsed time so far: 3.8 s
40.7 % 2.0e+00 s Elapsed time so far: 3.8 s
40.8 % 2.0e+00 s Elapsed time so far: 3.8 s
40.9 % 2.0e+00 s Elapsed time so far: 3.8 s
41.0 % 2.0e+00 s Elapsed time so far: 3.8 s
41.1 % 2.1e+00 s Elapsed time so far: 3.8 s
41.2 % 2.1e+00 s Elapsed time so far: 3.8 s
41.3 % 2.1e+00 s Elapsed time so far: 3.8 s
41.4 % 2.1e+00 s Elapsed time so far: 3.8 s
41.5 % 2.1e+00 s Elapsed time so far: 3.8 s
41.6 % 2.1e+00 s Elapsed time so far: 3.8 s
41.7 % 2.1e+00 s Elapsed time so far: 3.8 s
41.8 % 2.1e+00 s Elapsed time so far: 3.8 s
41.9 % 2.1e+00 s Elapsed time so far: 3.9 s
42.0 % 2.1e+00 s Elapsed time so far: 3.9 s
42.1 % 2.1e+00 s Elapsed time so far: 3.9 s
42.2 % 2.1e+00 s Elapsed time so far: 3.9 s
42.3 % 2.1e+00 s Elapsed time so far: 3.9 s
42.4 % 2.1e+00 s Elapsed time so far: 3.9 s
42.5 % 2.1e+00 s Elapsed time so far: 3.9 s
42.6 % 2.1e+00 s Elapsed time so far: 3.9 s
42.7 % 2.1e+00 s Elapsed time so far: 3.9 s
42.8 % 2.1e+00 s Elapsed time so far: 3.9 s
42.9 % 2.1e+00 s Elapsed time so far: 3.9 s
43.0 % 2.1e+00 s Elapsed time so far: 3.9 s
43.1 % 2.2e+00 s Elapsed time so far: 3.9 s
43.2 % 2.2e+00 s Elapsed time so far: 3.9 s
43.3 % 2.2e+00 s Elapsed time so far: 4.0 s
43.4 % 2.2e+00 s Elapsed time so far: 4.0 s
43.5 % 2.2e+00 s Elapsed time so far: 4.0 s
43.6 % 2.2e+00 s Elapsed time so far: 4.0 s
43.7 % 2.2e+00 s Elapsed time so far: 4.0 s
43.8 % 2.2e+00 s Elapsed time so far: 4.0 s
43.9 % 2.2e+00 s Elapsed time so far: 4.0 s
44.0 % 2.2e+00 s Elapsed time so far: 4.0 s
44.1 % 2.2e+00 s Elapsed time so far: 4.0 s
44.2 % 2.2e+00 s Elapsed time so far: 4.0 s
44.3 % 2.2e+00 s Elapsed time so far: 4.0 s
44.4 % 2.2e+00 s Elapsed time so far: 4.0 s
44.5 % 2.2e+00 s Elapsed time so far: 4.0 s
44.6 % 2.2e+00 s Elapsed time so far: 4.0 s
44.7 % 2.2e+00 s Elapsed time so far: 4.0 s
44.8 % 2.2e+00 s Elapsed time so far: 4.0 s
44.9 % 2.2e+00 s Elapsed time so far: 4.1 s
45.0 % 2.2e+00 s Elapsed time so far: 4.1 s
45.1 % 2.3e+00 s Elapsed time so far: 4.1 s
45.2 % 2.3e+00 s Elapsed time so far: 4.1 s
45.3 % 2.3e+00 s Elapsed time so far: 4.1 s
45.4 % 2.3e+00 s Elapsed time so far: 4.1 s
45.5 % 2.3e+00 s Elapsed time so far: 4.1 s
45.6 % 2.3e+00 s Elapsed time so far: 4.1 s
45.7 % 2.3e+00 s Elapsed time so far: 4.1 s
45.8 % 2.3e+00 s Elapsed time so far: 4.1 s
45.9 % 2.3e+00 s Elapsed time so far: 4.1 s
46.0 % 2.3e+00 s Elapsed time so far: 4.1 s
46.1 % 2.3e+00 s Elapsed time so far: 4.1 s
46.2 % 2.3e+00 s Elapsed time so far: 4.2 s
46.3 % 2.3e+00 s Elapsed time so far: 4.2 s
46.4 % 2.3e+00 s Elapsed time so far: 4.2 s
46.5 % 2.3e+00 s Elapsed time so far: 4.2 s
46.6 % 2.3e+00 s Elapsed time so far: 4.2 s
46.7 % 2.3e+00 s Elapsed time so far: 4.2 s
46.8 % 2.3e+00 s Elapsed time so far: 4.2 s
46.9 % 2.3e+00 s Elapsed time so far: 4.2 s
47.0 % 2.3e+00 s Elapsed time so far: 4.2 s
47.1 % 2.4e+00 s Elapsed time so far: 4.2 s
47.2 % 2.4e+00 s Elapsed time so far: 4.2 s
47.3 % 2.4e+00 s Elapsed time so far: 4.2 s
47.4 % 2.4e+00 s Elapsed time so far: 4.2 s
47.5 % 2.4e+00 s Elapsed time so far: 4.2 s
47.6 % 2.4e+00 s Elapsed time so far: 4.2 s
47.7 % 2.4e+00 s Elapsed time so far: 4.2 s
47.8 % 2.4e+00 s Elapsed time so far: 4.3 s
47.9 % 2.4e+00 s Elapsed time so far: 4.3 s
48.0 % 2.4e+00 s Elapsed time so far: 4.3 s
48.1 % 2.4e+00 s Elapsed time so far: 4.3 s
48.2 % 2.4e+00 s Elapsed time so far: 4.3 s
48.3 % 2.4e+00 s Elapsed time so far: 4.3 s
48.4 % 2.4e+00 s Elapsed time so far: 4.3 s
48.5 % 2.4e+00 s Elapsed time so far: 4.3 s
48.6 % 2.4e+00 s Elapsed time so far: 4.3 s
48.7 % 2.4e+00 s Elapsed time so far: 4.3 s
48.8 % 2.4e+00 s Elapsed time so far: 4.3 s
48.9 % 2.4e+00 s Elapsed time so far: 4.3 s
49.0 % 2.4e+00 s Elapsed time so far: 4.3 s
49.1 % 2.5e+00 s Elapsed time so far: 4.4 s
49.2 % 2.5e+00 s Elapsed time so far: 4.4 s
49.3 % 2.5e+00 s Elapsed time so far: 4.4 s
49.4 % 2.5e+00 s Elapsed time so far: 4.4 s
49.5 % 2.5e+00 s Elapsed time so far: 4.4 s
49.6 % 2.5e+00 s Elapsed time so far: 4.4 s
49.7 % 2.5e+00 s Elapsed time so far: 4.4 s
49.8 % 2.5e+00 s Elapsed time so far: 4.4 s
49.9 % 2.5e+00 s Elapsed time so far: 4.4 s
50.0 % 2.5e+00 s Elapsed time so far: 4.4 s
50.1 % 2.5e+00 s Elapsed time so far: 4.4 s
50.2 % 2.5e+00 s Elapsed time so far: 4.4 s
50.3 % 2.5e+00 s Elapsed time so far: 4.4 s
50.4 % 2.5e+00 s Elapsed time so far: 4.4 s
50.5 % 2.5e+00 s Elapsed time so far: 4.5 s
50.6 % 2.5e+00 s Elapsed time so far: 4.5 s
50.7 % 2.5e+00 s Elapsed time so far: 4.5 s
50.8 % 2.5e+00 s Elapsed time so far: 4.5 s
50.9 % 2.5e+00 s Elapsed time so far: 4.5 s
51.0 % 2.5e+00 s Elapsed time so far: 4.5 s
51.1 % 2.6e+00 s Elapsed time so far: 4.5 s
51.2 % 2.6e+00 s Elapsed time so far: 4.5 s
51.3 % 2.6e+00 s Elapsed time so far: 4.5 s
51.4 % 2.6e+00 s Elapsed time so far: 4.5 s
51.5 % 2.6e+00 s Elapsed time so far: 4.5 s
51.6 % 2.6e+00 s Elapsed time so far: 4.5 s
51.7 % 2.6e+00 s Elapsed time so far: 4.5 s
51.8 % 2.6e+00 s Elapsed time so far: 4.5 s
51.9 % 2.6e+00 s Elapsed time so far: 4.6 s
52.0 % 2.6e+00 s Elapsed time so far: 4.6 s
52.1 % 2.6e+00 s Elapsed time so far: 4.6 s
52.2 % 2.6e+00 s Elapsed time so far: 4.6 s
52.3 % 2.6e+00 s Elapsed time so far: 4.6 s
52.4 % 2.6e+00 s Elapsed time so far: 4.6 s
52.5 % 2.6e+00 s Elapsed time so far: 4.6 s
52.6 % 2.6e+00 s Elapsed time so far: 4.6 s
52.7 % 2.6e+00 s Elapsed time so far: 4.6 s
52.8 % 2.6e+00 s Elapsed time so far: 4.6 s
52.9 % 2.6e+00 s Elapsed time so far: 4.6 s
53.0 % 2.6e+00 s Elapsed time so far: 4.6 s
53.1 % 2.7e+00 s Elapsed time so far: 4.6 s
53.2 % 2.7e+00 s Elapsed time so far: 4.6 s
53.3 % 2.7e+00 s Elapsed time so far: 4.6 s
53.4 % 2.7e+00 s Elapsed time so far: 4.7 s
53.5 % 2.7e+00 s Elapsed time so far: 4.7 s
53.6 % 2.7e+00 s Elapsed time so far: 4.7 s
53.7 % 2.7e+00 s Elapsed time so far: 4.7 s
53.8 % 2.7e+00 s Elapsed time so far: 4.7 s
53.9 % 2.7e+00 s Elapsed time so far: 4.7 s
54.0 % 2.7e+00 s Elapsed time so far: 4.7 s
54.1 % 2.7e+00 s Elapsed time so far: 4.7 s
54.2 % 2.7e+00 s Elapsed time so far: 4.7 s
54.3 % 2.7e+00 s Elapsed time so far: 4.7 s
54.4 % 2.7e+00 s Elapsed time so far: 4.7 s
54.5 % 2.7e+00 s Elapsed time so far: 4.7 s
54.6 % 2.7e+00 s Elapsed time so far: 4.7 s
54.7 % 2.7e+00 s Elapsed time so far: 4.7 s
54.8 % 2.7e+00 s Elapsed time so far: 4.8 s
54.9 % 2.7e+00 s Elapsed time so far: 4.8 s
55.0 % 2.7e+00 s Elapsed time so far: 4.8 s
55.1 % 2.8e+00 s Elapsed time so far: 4.8 s
55.2 % 2.8e+00 s Elapsed time so far: 4.8 s
55.3 % 2.8e+00 s Elapsed time so far: 4.8 s
55.4 % 2.8e+00 s Elapsed time so far: 4.8 s
55.5 % 2.8e+00 s Elapsed time so far: 4.8 s
55.6 % 2.8e+00 s Elapsed time so far: 4.8 s
55.7 % 2.8e+00 s Elapsed time so far: 4.8 s
55.8 % 2.8e+00 s Elapsed time so far: 4.8 s
55.9 % 2.8e+00 s Elapsed time so far: 4.8 s
56.0 % 2.8e+00 s Elapsed time so far: 4.8 s
56.1 % 2.8e+00 s Elapsed time so far: 4.8 s
56.2 % 2.8e+00 s Elapsed time so far: 4.8 s
56.3 % 2.8e+00 s Elapsed time so far: 4.9 s
56.4 % 2.8e+00 s Elapsed time so far: 4.9 s
56.5 % 2.8e+00 s Elapsed time so far: 4.9 s
56.6 % 2.8e+00 s Elapsed time so far: 4.9 s
56.7 % 2.8e+00 s Elapsed time so far: 4.9 s
56.8 % 2.8e+00 s Elapsed time so far: 4.9 s
56.9 % 2.8e+00 s Elapsed time so far: 4.9 s
57.0 % 2.8e+00 s Elapsed time so far: 4.9 s
57.1 % 2.9e+00 s Elapsed time so far: 4.9 s
57.2 % 2.9e+00 s Elapsed time so far: 4.9 s
57.3 % 2.9e+00 s Elapsed time so far: 4.9 s
57.4 % 2.9e+00 s Elapsed time so far: 4.9 s
57.5 % 2.9e+00 s Elapsed time so far: 4.9 s
57.6 % 2.9e+00 s Elapsed time so far: 4.9 s
57.7 % 2.9e+00 s Elapsed time so far: 4.9 s
57.8 % 2.9e+00 s Elapsed time so far: 5.0 s
57.9 % 2.9e+00 s Elapsed time so far: 5.0 s
58.0 % 2.9e+00 s Elapsed time so far: 5.0 s
58.1 % 2.9e+00 s Elapsed time so far: 5.0 s
58.2 % 2.9e+00 s Elapsed time so far: 5.0 s
58.3 % 2.9e+00 s Elapsed time so far: 5.0 s
58.4 % 2.9e+00 s Elapsed time so far: 5.0 s
58.5 % 2.9e+00 s Elapsed time so far: 5.0 s
58.6 % 2.9e+00 s Elapsed time so far: 5.0 s
58.7 % 2.9e+00 s Elapsed time so far: 5.0 s
58.8 % 2.9e+00 s Elapsed time so far: 5.0 s
58.9 % 2.9e+00 s Elapsed time so far: 5.0 s
59.0 % 2.9e+00 s Elapsed time so far: 5.0 s
59.1 % 3.0e+00 s Elapsed time so far: 5.0 s
59.2 % 3.0e+00 s Elapsed time so far: 5.0 s
59.3 % 3.0e+00 s Elapsed time so far: 5.1 s
59.4 % 3.0e+00 s Elapsed time so far: 5.1 s
59.5 % 3.0e+00 s Elapsed time so far: 5.1 s
59.6 % 3.0e+00 s Elapsed time so far: 5.1 s
59.7 % 3.0e+00 s Elapsed time so far: 5.1 s
59.8 % 3.0e+00 s Elapsed time so far: 5.1 s
59.9 % 3.0e+00 s Elapsed time so far: 5.1 s
60.0 % 3.0e+00 s Elapsed time so far: 5.1 s
60.1 % 3.0e+00 s Elapsed time so far: 5.1 s
60.2 % 3.0e+00 s Elapsed time so far: 5.1 s
60.3 % 3.0e+00 s Elapsed time so far: 5.1 s
60.4 % 3.0e+00 s Elapsed time so far: 5.1 s
60.5 % 3.0e+00 s Elapsed time so far: 5.1 s
60.6 % 3.0e+00 s Elapsed time so far: 5.1 s
60.7 % 3.0e+00 s Elapsed time so far: 5.2 s
60.8 % 3.0e+00 s Elapsed time so far: 5.2 s
60.9 % 3.0e+00 s Elapsed time so far: 5.2 s
61.0 % 3.0e+00 s Elapsed time so far: 5.2 s
61.1 % 3.1e+00 s Elapsed time so far: 5.2 s
61.2 % 3.1e+00 s Elapsed time so far: 5.2 s
61.3 % 3.1e+00 s Elapsed time so far: 5.2 s
61.4 % 3.1e+00 s Elapsed time so far: 5.2 s
61.5 % 3.1e+00 s Elapsed time so far: 5.2 s
61.6 % 3.1e+00 s Elapsed time so far: 5.2 s
61.7 % 3.1e+00 s Elapsed time so far: 5.2 s
61.8 % 3.1e+00 s Elapsed time so far: 5.2 s
61.9 % 3.1e+00 s Elapsed time so far: 5.2 s
62.0 % 3.1e+00 s Elapsed time so far: 5.2 s
62.1 % 3.1e+00 s Elapsed time so far: 5.2 s
62.2 % 3.1e+00 s Elapsed time so far: 5.2 s
62.3 % 3.1e+00 s Elapsed time so far: 5.2 s
62.4 % 3.1e+00 s Elapsed time so far: 5.3 s
62.5 % 3.1e+00 s Elapsed time so far: 5.3 s
62.6 % 3.1e+00 s Elapsed time so far: 5.3 s
62.7 % 3.1e+00 s Elapsed time so far: 5.3 s
62.8 % 3.1e+00 s Elapsed time so far: 5.3 s
62.9 % 3.1e+00 s Elapsed time so far: 5.3 s
63.0 % 3.1e+00 s Elapsed time so far: 5.3 s
63.1 % 3.2e+00 s Elapsed time so far: 5.3 s
63.2 % 3.2e+00 s Elapsed time so far: 5.3 s
63.3 % 3.2e+00 s Elapsed time so far: 5.3 s
63.4 % 3.2e+00 s Elapsed time so far: 5.3 s
63.5 % 3.2e+00 s Elapsed time so far: 5.3 s
63.6 % 3.2e+00 s Elapsed time so far: 5.3 s
63.7 % 3.2e+00 s Elapsed time so far: 5.4 s
63.8 % 3.2e+00 s Elapsed time so far: 5.4 s
63.9 % 3.2e+00 s Elapsed time so far: 5.4 s
64.0 % 3.2e+00 s Elapsed time so far: 5.4 s
64.1 % 3.2e+00 s Elapsed time so far: 5.4 s
64.2 % 3.2e+00 s Elapsed time so far: 5.4 s
64.3 % 3.2e+00 s Elapsed time so far: 5.4 s
64.4 % 3.2e+00 s Elapsed time so far: 5.4 s
64.5 % 3.2e+00 s Elapsed time so far: 5.4 s
64.6 % 3.2e+00 s Elapsed time so far: 5.4 s
64.7 % 3.2e+00 s Elapsed time so far: 5.4 s
64.8 % 3.2e+00 s Elapsed time so far: 5.4 s
64.9 % 3.2e+00 s Elapsed time so far: 5.4 s
65.0 % 3.2e+00 s Elapsed time so far: 5.4 s
65.1 % 3.3e+00 s Elapsed time so far: 5.4 s
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Mobile H#
Show code cell source
plot_times = [1, 3, 5]
for t in plot_times:
x = solute_data["x"]
y = solute_data[f"t{t:.2e}s".replace(".", "").replace("+", "")]
# order y by x
x, y = zip(*sorted(zip(x, y)))
(l1,) = plt.plot(
x,
exact_solution_cm(np.array(x), t),
label=f"exact t = {t}",
)
plt.scatter(
x[::100],
y[::100],
label=f"t = {t}",
color=l1.get_color(),
alpha=0.6,
)
print(
f"L2 error for mobile H at t = {t}: {norm(np.array(x), np.array(y), exact_solution_cm(x=np.array(x), t=t))}"
)
plt.legend(reverse=True, ncols=3, loc=9, frameon=False)
plt.ylabel("$c_m$")
plt.xlabel("$x$")
plt.ylim(2, 16)
plt.show()
L2 error for mobile H at t = 1: 6.6901461844272124e-06
L2 error for mobile H at t = 3: 1.1040758395056417e-05
L2 error for mobile H at t = 5: 1.59299833608968e-05
Adsorbed H#
Show code cell source
c_s_computed = adsorbed_data[0].data
t = adsorbed_data[0].t
print(
f"L2 error for adsorbed H: {norm(t, c_s_computed, exact_solution_cs(t=np.array(t)))}"
)
plt.figure()
plt.scatter(t[::50], c_s_computed[::50], label="computed", alpha=0.6)
plt.plot(t, exact_solution_cs(np.array(t)), label="exact")
plt.ylabel("$c_s$")
plt.xlabel("$t$")
plt.legend()
plt.ylim(-0.05, 1.8)
plt.show()
L2 error for adsorbed H: 4.285475874092749e-05