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separate boundary grad and value extrapolation, make grad default quadratic #4614

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merged 8 commits into from
Nov 27, 2024
Merged

separate boundary grad and value extrapolation, make grad default quadratic #4614

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0967316
separate boundary grad and val, make grad default quadratic
Nov 25, 2024
0fdecec
Merge branch 'develop' into quadratic-boundary-gradient
aabills Nov 25, 2024
a9c5b8e
fix script
Nov 25, 2024
5c7b69a
document and changelog
Nov 26, 2024
5495dbf
Merge branch 'develop' into quadratic-boundary-gradient
kratman Nov 27, 2024
e3031a6
Update CHANGELOG.md
kratman Nov 27, 2024
bd8c94a
Merge branch 'develop' into quadratic-boundary-gradient
kratman Nov 27, 2024
8af9587
Update CHANGELOG.md
kratman Nov 27, 2024
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7 changes: 6 additions & 1 deletion examples/scripts/compare_extrapolations.py
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Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,12 @@
sim_lin.solve([0, 3600])

model_quad = pybamm.lead_acid.Full()
method_options = {"extrapolation": {"order": "quadratic", "use bcs": False}}
method_options = {
"extrapolation": {
"order": {"gradient": "quadratic", "value": "quadratic"},
"use bcs": False,
}
}
spatial_methods = {
"negative particle": pybamm.FiniteVolume(method_options),
"positive particle": pybamm.FiniteVolume(method_options),
Expand Down
19 changes: 10 additions & 9 deletions src/pybamm/spatial_methods/finite_volume.py
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Original file line number Diff line number Diff line change
Expand Up @@ -824,7 +824,8 @@ def boundary_value_or_flux(self, symbol, discretised_child, bcs=None):
if bcs is None:
bcs = {}

extrap_order = self.options["extrapolation"]["order"]
extrap_order_gradient = self.options["extrapolation"]["order"]["gradient"]
extrap_order_value = self.options["extrapolation"]["order"]["value"]
use_bcs = self.options["extrapolation"]["use bcs"]

nodes = submesh.nodes
Expand All @@ -850,7 +851,7 @@ def boundary_value_or_flux(self, symbol, discretised_child, bcs=None):
additive = bcs[child][symbol.side][0]

elif symbol.side == "left":
if extrap_order == "linear":
if extrap_order_value == "linear":
# to find value at x* use formula:
# f(x*) = f_1 - (dx0 / dx1) (f_2 - f_1)

Expand All @@ -868,7 +869,7 @@ def boundary_value_or_flux(self, symbol, discretised_child, bcs=None):
)
additive = pybamm.Scalar(0)

elif extrap_order == "quadratic":
elif extrap_order_value == "quadratic":
if use_bcs and pybamm.has_bc_of_form(
child, symbol.side, bcs, "Neumann"
):
Expand All @@ -895,7 +896,7 @@ def boundary_value_or_flux(self, symbol, discretised_child, bcs=None):
raise NotImplementedError

elif symbol.side == "right":
if extrap_order == "linear":
if extrap_order_value == "linear":
if use_bcs and pybamm.has_bc_of_form(
child, symbol.side, bcs, "Neumann"
):
Expand All @@ -917,7 +918,7 @@ def boundary_value_or_flux(self, symbol, discretised_child, bcs=None):
shape=(1, prim_pts),
)
additive = pybamm.Scalar(0)
elif extrap_order == "quadratic":
elif extrap_order_value == "quadratic":
if use_bcs and pybamm.has_bc_of_form(
child, symbol.side, bcs, "Neumann"
):
Expand Down Expand Up @@ -958,14 +959,14 @@ def boundary_value_or_flux(self, symbol, discretised_child, bcs=None):
additive = bcs[child][symbol.side][0]

elif symbol.side == "left":
if extrap_order == "linear":
if extrap_order_gradient == "linear":
# f'(x*) = (f_2 - f_1) / dx1
sub_matrix = (1 / dx1) * csr_matrix(
([-1, 1], ([0, 0], [0, 1])), shape=(1, prim_pts)
)
additive = pybamm.Scalar(0)

elif extrap_order == "quadratic":
elif extrap_order_gradient == "quadratic":
a = -(2 * dx0 + 2 * dx1 + dx2) / (dx1**2 + dx1 * dx2)
b = (2 * dx0 + dx1 + dx2) / (dx1 * dx2)
c = -(2 * dx0 + dx1) / (dx1 * dx2 + dx2**2)
Expand All @@ -978,7 +979,7 @@ def boundary_value_or_flux(self, symbol, discretised_child, bcs=None):
raise NotImplementedError

elif symbol.side == "right":
if extrap_order == "linear":
if extrap_order_gradient == "linear":
# use formula:
# f'(x*) = (f_N - f_Nm1) / dxNm1
sub_matrix = (1 / dxNm1) * csr_matrix(
Expand All @@ -987,7 +988,7 @@ def boundary_value_or_flux(self, symbol, discretised_child, bcs=None):
)
additive = pybamm.Scalar(0)

elif extrap_order == "quadratic":
elif extrap_order_gradient == "quadratic":
a = (2 * dxN + 2 * dxNm1 + dxNm2) / (dxNm1**2 + dxNm1 * dxNm2)
b = -(2 * dxN + dxNm1 + dxNm2) / (dxNm1 * dxNm2)
c = (2 * dxN + dxNm1) / (dxNm1 * dxNm2 + dxNm2**2)
Expand Down
7 changes: 6 additions & 1 deletion src/pybamm/spatial_methods/spatial_method.py
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Original file line number Diff line number Diff line change
Expand Up @@ -13,7 +13,12 @@ class SpatialMethod:
"""

def __init__(self, options=None):
self.options = {"extrapolation": {"order": "linear", "use bcs": False}}
self.options = {
"extrapolation": {
"order": {"gradient": "quadratic", "value": "linear"},
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"use bcs": False,
}
}

# update double-layered dict
if options:
Expand Down
7 changes: 6 additions & 1 deletion ...ation/test_models/test_full_battery_models/test_lead_acid/test_asymptotics_convergence.py
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Expand Up @@ -28,7 +28,12 @@ def test_leading_order_convergence(self):
var_pts = {"x_n": 3, "x_s": 3, "x_p": 3}
mesh = pybamm.Mesh(geometry, full_model.default_submesh_types, var_pts)

method_options = {"extrapolation": {"order": "linear", "use bcs": False}}
method_options = {
"extrapolation": {
"order": {"gradient": "linear", "value": "linear"},
"use bcs": False,
}
}
spatial_methods = {
"macroscale": pybamm.FiniteVolume(method_options),
"current collector": pybamm.ZeroDimensionalSpatialMethod(method_options),
Expand Down
62 changes: 52 additions & 10 deletions tests/unit/test_spatial_methods/test_finite_volume/test_extrapolation.py
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Expand Up @@ -59,8 +59,10 @@ def get_errors(function, method_options, pts, bcs=None):
class TestExtrapolation:
def test_convergence_without_bcs(self):
# all tests are performed on x in [0, 1]
linear = {"extrapolation": {"order": "linear"}}
quad = {"extrapolation": {"order": "quadratic"}}
linear = {"extrapolation": {"order": {"gradient": "linear", "value": "linear"}}}
quad = {
"extrapolation": {"order": {"gradient": "quadratic", "value": "quadratic"}}
}

def x_squared(x):
y = x**2
Expand Down Expand Up @@ -147,8 +149,18 @@ def x_cubed(x):

bcs = {"left": (left_val, "Dirichlet"), "right": (right_flux, "Neumann")}

linear = {"extrapolation": {"order": "linear", "use bcs": True}}
quad = {"extrapolation": {"order": "quadratic", "use bcs": True}}
linear = {
"extrapolation": {
"order": {"gradient": "linear", "value": "linear"},
"use bcs": True,
}
}
quad = {
"extrapolation": {
"order": {"gradient": "quadratic", "value": "quadratic"},
"use bcs": True,
}
}
l_errors_lin_no_bc, r_errors_lin_no_bc = get_errors(x_cubed, linear, pts)
l_errors_quad_no_bc, r_errors_quad_no_bc = get_errors(x_cubed, quad, pts)

Expand Down Expand Up @@ -202,8 +214,18 @@ def x_cubed(x):

bcs = {"left": (left_flux, "Neumann"), "right": (right_val, "Dirichlet")}

linear = {"extrapolation": {"order": "linear", "use bcs": True}}
quad = {"extrapolation": {"order": "quadratic", "use bcs": True}}
linear = {
"extrapolation": {
"order": {"gradient": "linear", "value": "linear"},
"use bcs": True,
}
}
quad = {
"extrapolation": {
"order": {"gradient": "quadratic", "value": "quadratic"},
"use bcs": True,
}
}
l_errors_lin_no_bc, r_errors_lin_no_bc = get_errors(x_cubed, linear, pts)
l_errors_quad_no_bc, r_errors_quad_no_bc = get_errors(x_cubed, quad, pts)

Expand Down Expand Up @@ -237,7 +259,12 @@ def x_cubed(x):
def test_linear_extrapolate_left_right(self):
# create discretisation
mesh = get_mesh_for_testing()
method_options = {"extrapolation": {"order": "linear", "use bcs": True}}
method_options = {
"extrapolation": {
"order": {"gradient": "linear", "value": "linear"},
"use bcs": True,
}
}
spatial_methods = {
"macroscale": pybamm.FiniteVolume(method_options),
"negative particle": pybamm.FiniteVolume(method_options),
Expand Down Expand Up @@ -308,7 +335,12 @@ def test_linear_extrapolate_left_right(self):
def test_quadratic_extrapolate_left_right(self):
# create discretisation
mesh = get_mesh_for_testing()
method_options = {"extrapolation": {"order": "quadratic", "use bcs": False}}
method_options = {
"extrapolation": {
"order": {"gradient": "quadratic", "value": "quadratic"},
"use bcs": False,
}
}
spatial_methods = {
"macroscale": pybamm.FiniteVolume(method_options),
"negative particle": pybamm.FiniteVolume(method_options),
Expand Down Expand Up @@ -402,7 +434,12 @@ def test_extrapolate_on_nonuniform_grid(self):
rpts = 10
var_pts = {"r_n": rpts, "r_p": rpts}
mesh = pybamm.Mesh(geometry, submesh_types, var_pts)
method_options = {"extrapolation": {"order": "linear", "use bcs": False}}
method_options = {
"extrapolation": {
"order": {"gradient": "linear", "value": "linear"},
"use bcs": False,
}
}
spatial_methods = {"negative particle": pybamm.FiniteVolume(method_options)}
disc = pybamm.Discretisation(mesh, spatial_methods)

Expand All @@ -429,7 +466,12 @@ def test_extrapolate_on_nonuniform_grid(self):
def test_extrapolate_2d_models(self):
# create discretisation
mesh = get_p2d_mesh_for_testing()
method_options = {"extrapolation": {"order": "linear", "use bcs": False}}
method_options = {
"extrapolation": {
"order": {"gradient": "linear", "value": "linear"},
"use bcs": False,
}
}
spatial_methods = {
"macroscale": pybamm.FiniteVolume(method_options),
"negative particle": pybamm.FiniteVolume(method_options),
Expand Down