Pass particles as arg to compute stress

Author: chahak13

diffmpm/materials/_base.py

@@ -6,6 +6,7 @@ class _Material(abc.ABC):
     """Base material class."""
 
     _props: Tuple[str, ...]
+    properties: dict
 
     def __init__(self, material_properties):
         """Initialize material properties.
@@ -35,7 +36,7 @@ def __repr__(self):
         ...
 
     @abc.abstractmethod
-    def compute_stress(self):
+    def compute_stress(self, particles):
         """Compute stress for the material."""
         ...
 

diffmpm/materials/linear_elastic.py

@@ -9,6 +9,7 @@ class LinearElastic(_Material):
     """Linear Elastic Material."""
 
     _props = ("density", "youngs_modulus", "poisson_ratio")
+    state_vars = ()
 
     def __init__(self, material_properties):
         """Create a Linear Elastic material.
@@ -63,7 +64,7 @@ def _compute_elastic_tensor(self):
             ]
         )
 
-    def compute_stress(self, dstrain):
+    def compute_stress(self, particles):
         """Compute material stress."""
-        dstress = self.de @ dstrain
+        dstress = self.de @ particles.dstrain
         return dstress

diffmpm/materials/simple.py

@@ -6,6 +6,7 @@
 @register_pytree_node_class
 class SimpleMaterial(_Material):
     _props = ("E", "density")
+    state_vars = ()
 
     def __init__(self, material_properties):
         self.validate_props(material_properties)
@@ -14,5 +15,5 @@ def __init__(self, material_properties):
     def __repr__(self):
         return f"SimpleMaterial(props={self.properties})"
 
-    def compute_stress(self, dstrain):
-        return dstrain * self.properties["E"]
+    def compute_stress(self, particles):
+        return particles.dstrain * self.properties["E"]

diffmpm/particle.py

@@ -69,6 +69,11 @@ def __init__(
             self.reference_loc = jnp.zeros_like(self.loc)
             self.dvolumetric_strain = jnp.zeros((self.loc.shape[0], 1))
             self.volumetric_strain_centroid = jnp.zeros((self.loc.shape[0], 1))
+            self.state_vars = {}
+            if self.material.state_vars:
+                self.state_vars = self.material.initialize_state_variables(
+                    self.loc.shape[0]
+                )
         else:
             (
                 self.mass,
@@ -87,6 +92,7 @@ def __init__(
                 self.reference_loc,
                 self.dvolumetric_strain,
                 self.volumetric_strain_centroid,
+                self.state_vars,
             ) = data  # type: ignore
         self.initialized = True
 
@@ -112,6 +118,7 @@ def tree_flatten(self):
             self.reference_loc,
             self.dvolumetric_strain,
             self.volumetric_strain_centroid,
+            self.state_vars,
         )
         aux_data = (self.material,)
         return (children, aux_data)
@@ -319,7 +326,7 @@ def compute_stress(self, *args):
         particles. The stress calculated by the material is then
         added to the particles current stress values.
         """
-        self.stress = self.stress.at[:].add(self.material.compute_stress(self.dstrain))
+        self.stress = self.stress.at[:].add(self.material.compute_stress(self))
 
     def update_volume(self, *args):
         """Update volume based on central strain rate."""

tests/test_material.py

@@ -1,27 +1,48 @@
 import jax.numpy as jnp
 import pytest
 from diffmpm.materials import LinearElastic, SimpleMaterial
+from diffmpm.particle import Particles
 
-material_dstrain_stress_targets = [
+particles_dstrain_stress_targets = [
     (
-        SimpleMaterial({"E": 10, "density": 1}),
+        Particles(
+            jnp.array([[0.5, 0.5]]).reshape(1, 1, 2),
+            SimpleMaterial({"E": 10, "density": 1}),
+            jnp.array([0]),
+        ),
         jnp.ones((1, 6, 1)),
         jnp.ones((1, 6, 1)) * 10,
     ),
     (
-        LinearElastic({"density": 1, "youngs_modulus": 10, "poisson_ratio": 1}),
+        Particles(
+            jnp.array([[0.5, 0.5]]).reshape(1, 1, 2),
+            LinearElastic({"density": 1, "youngs_modulus": 10, "poisson_ratio": 1}),
+            jnp.array([0]),
+        ),
         jnp.ones((1, 6, 1)),
         jnp.array([-10, -10, -10, 2.5, 2.5, 2.5]).reshape(1, 6, 1),
     ),
     (
-        LinearElastic({"density": 1000, "youngs_modulus": 1e7, "poisson_ratio": 0.3}),
+        Particles(
+            jnp.array([[0.5, 0.5]]).reshape(1, 1, 2),
+            LinearElastic(
+                {"density": 1000, "youngs_modulus": 1e7, "poisson_ratio": 0.3}
+            ),
+            jnp.array([0]),
+        ),
         jnp.array([0.001, 0.0005, 0, 0, 0, 0]).reshape(1, 6, 1),
         jnp.array([1.63461538461538e4, 12500, 0.86538461538462e4, 0, 0, 0]).reshape(
             1, 6, 1
         ),
     ),
     (
-        LinearElastic({"density": 1000, "youngs_modulus": 1e7, "poisson_ratio": 0.3}),
+        Particles(
+            jnp.array([[0.5, 0.5]]).reshape(1, 1, 2),
+            LinearElastic(
+                {"density": 1000, "youngs_modulus": 1e7, "poisson_ratio": 0.3}
+            ),
+            jnp.array([0]),
+        ),
         jnp.array([0.001, 0.0005, 0, 0.00001, 0, 0]).reshape(1, 6, 1),
         jnp.array(
             [1.63461538461538e4, 12500, 0.86538461538462e4, 3.84615384615385e01, 0, 0]
@@ -30,7 +51,8 @@
 ]
 
 
-@pytest.mark.parametrize("material, dstrain, target", material_dstrain_stress_targets)
-def test_compute_stress(material, dstrain, target):
-    stress = material.compute_stress(dstrain)
+@pytest.mark.parametrize("particles, dstrain, target", particles_dstrain_stress_targets)
+def test_compute_stress(particles, dstrain, target):
+    particles.dstrain = dstrain
+    stress = particles.material.compute_stress(particles)
     assert jnp.allclose(stress, target)