Note
Go to the end to download the full example code.
2D Microstructure analysis#
This example shows how to use PyAdditive to determine the two-dimensional microstructure in the XY, XZ, and YZ planes for a sample coupon with given material and machine parameters.
Units are SI (m, kg, s, K) unless otherwise noted.
Perform required import and connect#
Perform the required import and connect to the Additive service.
from ansys.additive.core import (
Additive,
AdditiveMachine,
MicrostructureInput,
SimulationError,
)
additive = Additive()
Select material#
Select a material. You can use the materials_list()
method to
obtain a list of available materials.
print("Available material names: {}".format(additive.materials_list()))
Available material names: ['IN625', '316L', 'Al357', 'CoCr', 'AlSi10Mg', 'Ti64', '17-4PH', 'IN718']
You can obtain the parameters for a single material by passing a name
from the materials list to the material()
method.
material = additive.material("17-4PH")
Specify machine parameters#
Specify machine parameters by first creating an AdditiveMachine
object
and then assigning the desired values. All values are in SI units (m, kg, s, K)
unless otherwise noted.
machine = AdditiveMachine()
# Show available parameters
print(machine)
AdditiveMachine
laser_power: 195 W
scan_speed: 1.0 m/s
heater_temperature: 80 °C
layer_thickness: 5e-05 m
beam_diameter: 0.0001 m
starting_layer_angle: 57 °
layer_rotation_angle: 67 °
hatch_spacing: 0.0001 m
slicing_stripe_width: 0.01 m
Set laser power and scan speed#
Set the laser power and scan speed.
machine.scan_speed = 1 # m/s
machine.laser_power = 500 # W
Specify inputs for microstructure simulation#
Microstructure simulation inputs can include thermal parameters.
Thermal parameters consist of cooling_rate
, thermal_gradient
,
melt_pool_width
, and melt_pool_depth
. If thermal parameters are not
specified, the thermal solver is used to obtain the parameters prior
to running the microstructure solver.
# Specify microstructure inputs with thermal parameters
input_with_thermal = MicrostructureInput(
machine=machine,
material=material,
sensor_dimension=0.0005,
sample_size_x=0.001, # in meters (1 mm), must be >= sensor_dimension + 0.0005
sample_size_y=0.001, # in meters (1 mm), must be >= sensor_dimension + 0.0005
sample_size_z=0.0015, # in meters (1 mm), must be >= sensor_dimension + 0.001
use_provided_thermal_parameters=True,
cooling_rate=1.1e6, # °K/s
thermal_gradient=1.2e7, # °K/m
melt_pool_width=1.5e-4, # meters (150 microns)
melt_pool_depth=1.1e-4, # meters (110 microns)
)
# Specify microstructure inputs without thermal parameters
input_without_thermal = MicrostructureInput(
machine=machine,
material=material,
sensor_dimension=0.0005,
sample_size_x=0.001, # in meters (1 mm), must be >= sensor_dimension + 0.0005
sample_size_y=0.001, # in meters (1 mm), must be >= sensor_dimension + 0.0005
sample_size_z=0.0015, # in meters (1 mm), must be >= sensor_dimension + 0.001
# use_provided_thermal_parameters defaults to False
)
Run simulation#
Use the simulate()
method of the additive
object to run the simulation.
The returned object is either a MicrostructureSummary
object or a
SimulationError
object.
summary = additive.simulate(input_with_thermal)
if isinstance(summary, SimulationError):
raise Exception(summary.message)
Plot results#
The summary`
object includes three VTK files, one for each of the
XY, XZ, and YZ planes. Each VTK file contains data sets for grain orientation,
boundaries, and number. In addition, the summary
object
includes circle equivalence data and average grain size for each plane.
See MicrostructureSummary
for details.
import matplotlib.pyplot as plt
import pandas as pd
import pyvista as pv
from matplotlib import colors
from matplotlib.colors import LinearSegmentedColormap as colorMap
from matplotlib.ticker import PercentFormatter
from ansys.additive.core import CircleEquivalenceColumnNames
Plot 2D grain visualizations#
Plot the planar data, read VTK data in data set objects, and create a color map to use with the boundary map.
# Function to plot the planar data
def plot_microstructure(
xy_data: any,
xz_data: any,
yz_data: any,
scalars: str,
cmap: colors.LinearSegmentedColormap,
):
"""Convenience function to plot microstructure VTK data."""
font_size = 8
plotter = pv.Plotter(shape=(2, 2), lighting="three lights")
plotter.show_axes_all()
plotter.add_mesh(xy_data, cmap=cmap, scalars=scalars)
plotter.add_title("XY Plane", font_size=font_size)
plotter.subplot(0, 1)
plotter.add_mesh(xz_data, cmap=cmap, scalars=scalars)
plotter.add_title("XZ Plane", font_size=font_size)
plotter.subplot(1, 0)
plotter.add_mesh(yz_data, cmap=cmap, scalars=scalars)
plotter.add_title("YZ Plane", font_size=font_size)
plotter.subplot(1, 1)
plotter.add_mesh(xy_data, cmap=cmap, scalars=scalars)
plotter.add_mesh(xz_data, cmap=cmap, scalars=scalars)
plotter.add_mesh(yz_data, cmap=cmap, scalars=scalars)
plotter.add_title("Combined", font_size=font_size)
return plotter
# Read VTK data into pyvista.DataSet objects
xy = pv.read(summary.xy_vtk)
xz = pv.read(summary.xz_vtk)
yz = pv.read(summary.yz_vtk)
# Create a color map to use with the boundary plot
white_black_cmap = colorMap.from_list("whiteblack", ["white", "black"])
plot_microstructure(xy, xz, yz, "GrainBoundaries", white_black_cmap).show(
title="Grain Boundaries"
)
plot_microstructure(xy, xz, yz, "Orientation_(deg)", "spectral").show(
title="Orientation °"
)
plot_microstructure(xy, xz, yz, "GrainNumber", None).show(title="Grain Number")
Plot grain statistics#
Add grain statistic plots to a figure, create a figure for grain statistics, and then plot the figure.
# Function to simplify plotting grain statistics
def add_grain_statistics_to_figure(
plane_data: pd.DataFrame,
plane_str: str,
plane_ave_grain_size: float,
diameter_axes: plt.Axes,
orientation_axes: plt.Axes,
):
"""Convenience function to add grain statistic plots to a figure."""
xmax = len(plane_data[CircleEquivalenceColumnNames.DIAMETER])
diameter_axes.hist(
plane_data[CircleEquivalenceColumnNames.DIAMETER], bins=20, rwidth=0.75
)
diameter_axes.set_xlabel("Grain Diameter (µm)")
diameter_axes.set_ylabel("Area Fraction")
diameter_axes.set_title(
plane_str.upper()
+ f" Grain Size Distribution, ave: {plane_ave_grain_size:.2f} µm"
)
diameter_axes.yaxis.set_major_formatter(PercentFormatter(xmax=xmax))
orientation_axes.hist(
plane_data[CircleEquivalenceColumnNames.ORIENTATION_ANGLE], bins=9, rwidth=0.75
)
orientation_axes.yaxis.set_major_formatter(PercentFormatter(xmax=xmax))
orientation_axes.set_xlabel("Orientation Angle (°)")
orientation_axes.set_ylabel("Number Fraction")
orientation_axes.set_title(plane_str.upper() + " Orientation Angle")
# Create figure for grain statistics
fig, axs = plt.subplots(3, 2, figsize=(10, 15), tight_layout=True)
fig.suptitle("Circle Equivalence Grain Data", fontsize=16)
add_grain_statistics_to_figure(
summary.xy_circle_equivalence,
"xy",
summary.xy_average_grain_size,
axs[0][0],
axs[0][1],
)
add_grain_statistics_to_figure(
summary.xz_circle_equivalence,
"xz",
summary.xz_average_grain_size,
axs[1][0],
axs[1][1],
)
add_grain_statistics_to_figure(
summary.yz_circle_equivalence,
"yz",
summary.yz_average_grain_size,
axs[2][0],
axs[2][1],
)
plt.show()

Print the simulation logs#
To print the simulation logs, use the logs()
property.
print(summary.logs)
File: microstructure-log.log
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: MeshSpacing: 1.000000e-06
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: LaserSpeed: 1.000000e+00
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: DepositLayerThickness: 5.000000e-05
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: BoundaryMultiplier: 1.000000e+00
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: BorderGrainBoundaries: 10
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: KineticAnisotropy: 7.000000e-01
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: InterfaceKinematicCoefficient: 2.000000e-03
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: GibbsThomsonCoefficient: 1.700000e-07
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: NucleationConstantInterface: 2.377834e+00
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: NucleationConstantBulk: 2.844440e+04
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: b0: 0.800000
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: XYPlaneRotationAngleInfluence: 1
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: ScanFilePath: /tmp/additive/5e374e493718d/hatch-files/LaserPosition
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: OutputPath:
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: sensorid: 1
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: x: 5.000000e-04
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: y: 5.000000e-04
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: z: 5.000000e-04
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: length: 5.000000e-04
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: meltpoolwidth: 1.500000e-04
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: meltpooldepth: 1.100000e-04
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: thermalgradient: 1.200000e+07
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: coolingrate: 1.100000e+06
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: SensorOutputPrefix: /tmp/additive/5e374e493718d/microstructure/Microstructure
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: OracleType: uniform-parallel
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: OracleNumberFile: ./randnum.csv
Wed Apr 2 08:43:27 2025 -> SOLVERINFO: RNGSeed: 2050319311
Wed Apr 2 08:43:29 2025 -> DESKTOPINFO: License successfully obtained.
Wed Apr 2 08:43:29 2025 -> SOLVERINFO: Skipping HPC license checkout as 4 are being requested.
Wed Apr 2 08:43:29 2025 -> USERINFO: Starting MicrostructureSolver v15.1.1-dev, SolverCommon v14.108.0
Wed Apr 2 08:43:29 2025 -> SOLVERINFO: Begin Run
Wed Apr 2 08:43:29 2025 -> DESKTOPINFO: Using 4 threads for solver
Wed Apr 2 08:43:29 2025 -> SOLVERINFO: Total Number of Sensors: 1
Wed Apr 2 08:43:29 2025 -> SOLVERINFO: Run Sensor 1
Wed Apr 2 08:43:29 2025 -> SOLVERINFO: Layers to read:
Wed Apr 2 08:43:29 2025 -> SOLVERINFO: Bottom of sensor layer index = 0
Wed Apr 2 08:43:29 2025 -> SOLVERINFO: Top of sensor layer index = 9
Wed Apr 2 08:43:29 2025 -> SOLVERINFO: Layer index for remelting sensor = 11
Wed Apr 2 08:43:29 2025 -> SOLVERINFO: Oracle for plane id 0 received seed of 2050322744
Wed Apr 2 08:43:29 2025 -> SOLVERINFO: Thread 0 gets seed: 2050322744
Wed Apr 2 08:43:29 2025 -> SOLVERINFO: Thread 1 gets seed: 2050322823
Wed Apr 2 08:43:29 2025 -> SOLVERINFO: Thread 2 gets seed: 2050322902
Wed Apr 2 08:43:29 2025 -> SOLVERINFO: Thread 3 gets seed: 2050322981
Wed Apr 2 08:43:30 2025 -> SOLVERINFO: Longitude Line Solver took 260 steps out of 5656 max allowed.
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Wed Apr 2 08:43:32 2025 -> SOLVERINFO: PercentComplete: 33.3
Wed Apr 2 08:43:32 2025 -> SOLVERINFO: Oracle for plane id 1 received seed of 2050322745
Wed Apr 2 08:43:32 2025 -> SOLVERINFO: Thread 0 gets seed: 2050322745
Wed Apr 2 08:43:32 2025 -> SOLVERINFO: Thread 1 gets seed: 2050322824
Wed Apr 2 08:43:32 2025 -> SOLVERINFO: Thread 2 gets seed: 2050322903
Wed Apr 2 08:43:32 2025 -> SOLVERINFO: Thread 3 gets seed: 2050322982
Wed Apr 2 08:43:32 2025 -> SOLVERINFO: Starting layer (relative index): 0
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Wed Apr 2 08:43:33 2025 -> SOLVERINFO: Starting layer (relative index): 4
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Wed Apr 2 08:43:36 2025 -> SOLVERINFO: Oracle for plane id 2 received seed of 2050322746
Wed Apr 2 08:43:36 2025 -> SOLVERINFO: Thread 0 gets seed: 2050322746
Wed Apr 2 08:43:36 2025 -> SOLVERINFO: Thread 1 gets seed: 2050322825
Wed Apr 2 08:43:36 2025 -> SOLVERINFO: Thread 2 gets seed: 2050322904
Wed Apr 2 08:43:36 2025 -> SOLVERINFO: Thread 3 gets seed: 2050322983
Wed Apr 2 08:43:36 2025 -> SOLVERINFO: Starting layer (relative index): 0
Wed Apr 2 08:43:36 2025 -> SOLVERINFO: Latitude Line Solver took 368 steps out of 1982 max allowed.
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Wed Apr 2 08:43:38 2025 -> SOLVERINFO: Latitude Line Solver took 221 steps out of 1276 max allowed.
Wed Apr 2 08:43:38 2025 -> SOLVERINFO: Latitude Line Solver took 215 steps out of 1276 max allowed.
Wed Apr 2 08:43:38 2025 -> SOLVERINFO: Latitude Line Solver took 241 steps out of 1276 max allowed.
Wed Apr 2 08:43:38 2025 -> SOLVERINFO: PercentComplete: 88.8
Wed Apr 2 08:43:38 2025 -> SOLVERINFO: Starting layer (relative index): 8
Wed Apr 2 08:43:38 2025 -> SOLVERINFO: Latitude Line Solver took 320 steps out of 1822 max allowed.
Wed Apr 2 08:43:38 2025 -> SOLVERINFO: Latitude Line Solver took 308 steps out of 1822 max allowed.
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: Latitude Line Solver took 294 steps out of 1822 max allowed.
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: Latitude Line Solver took 313 steps out of 1822 max allowed.
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: PercentComplete: 91.6
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: Starting layer (relative index): 9
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: Latitude Line Solver took 380 steps out of 2138 max allowed.
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: Latitude Line Solver took 370 steps out of 2138 max allowed.
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: Latitude Line Solver took 375 steps out of 2138 max allowed.
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: Latitude Line Solver took 322 steps out of 2138 max allowed.
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: PercentComplete: 94.4
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: Starting layer (relative index): 10
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: Latitude Line Solver took 259 steps out of 1254 max allowed.
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: Latitude Line Solver took 209 steps out of 1254 max allowed.
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: Latitude Line Solver took 207 steps out of 1254 max allowed.
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: Latitude Line Solver took 227 steps out of 1254 max allowed.
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: Latitude Line Solver took 229 steps out of 1254 max allowed.
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: Latitude Line Solver took 260 steps out of 1254 max allowed.
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: Latitude Line Solver took 220 steps out of 1254 max allowed.
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: PercentComplete: 97.2
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: Starting layer (relative index): 11
Wed Apr 2 08:43:39 2025 -> SOLVERINFO: Latitude Line Solver took 432 steps out of 3706 max allowed.
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: Latitude Line Solver took 420 steps out of 3706 max allowed.
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: PercentComplete: 100
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: SolverManager: = 10.535 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: XYPlaneMSSolver: = 2.468 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: I/O: = 0.199 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: MicroStructureLineSolver: = 2.239 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Init Latitude: = 0.000 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Init Longitude: = 0.004 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Line Terminator: = 0.023 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Prep Latitude Step Solver: = 0.000 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Prep Longitude Step Solver: = 0.017 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: SolidificationSolver: = 2.171 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Grain Boundary Identification: = 0.807 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Nucleation: = 0.792 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Variable Update: = 0.347 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Velocity: = 0.222 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: XZPlaneMSSolver: = 3.789 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: I/O: = 0.242 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: VerticalPlaneSolutionGenerator: = 3.547 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: MicroStructureLineSolver: = 3.492 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Init Latitude: = 0.007 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Init Longitude: = 0.000 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Line Terminator: = 0.067 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Prep Latitude Step Solver: = 0.040 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Prep Longitude Step Solver: = 0.003 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: SolidificationSolver: = 3.358 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Grain Boundary Identification: = 1.119 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Nucleation: = 1.364 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Variable Update: = 0.568 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Velocity: = 0.286 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: YZPlaneMSSolver: = 4.257 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: I/O: = 0.232 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: VerticalPlaneSolutionGenerator: = 4.026 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: MicroStructureLineSolver: = 3.975 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Init Latitude: = 0.008 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Init Longitude: = 0.000 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Line Terminator: = 0.078 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Prep Latitude Step Solver: = 0.042 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Prep Longitude Step Solver: = 0.005 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: SolidificationSolver: = 3.824 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Grain Boundary Identification: = 1.281 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Nucleation: = 1.539 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Variable Update: = 0.655 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: TIME: Velocity: = 0.327 s
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: End Run
Wed Apr 2 08:43:40 2025 -> USERINFO: Microstructure Solver run completed
Wed Apr 2 08:43:40 2025 -> SOLVERINFO: License successfully returned.
Total running time of the script: (0 minutes 43.682 seconds)