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kanapy2DAMASK — Jupyter Workflow Setup Guide

This repository has been developed within the Infrastaructure Use Case (IUC07) Beyond 3D: Tools for tracking spatiotemporal microstructure evolution within the NFDI MatWerk project. It contains a complete workflow that connects Kanapy (3D microstructure generation and analysis) and DAMASK (crystal plasticity with spectral solver (CPFFT)-based simulation of large deformations) to study the microstructure evolution during a simulated cold-rolling step of a synthetic polycrystal derived from an experimental EBSD map, see also Section 6. Background of the README file.

This notebook is accessible via mybinder.org

To create a local copy on your hardware, follow the steps below.

1. Clone the repository

git clone https://gitlab.ruhr-uni-bochum.de/Workflows/kanapy2damask.git

2. Create the Conda environment

Change to the repository folder and create the environment using the provided file:

conda env create -f environment.yml

This environment installs:

  • DAMASK (from conda-forge)
  • The latest Kanapy directly from GitHub
  • The damask_python module from the GitHub/ICAMS fork with patches for interfacing with Kanapy
  • pyiron_workflow, orix, and all visualization tools

3. Activate the environment

$ conda activate ms-data

4. Launch Jupyter

(ms-data) $ jupyter lab

Open

ebsd2kanapy2damask.ipynb

5. Run the notebook

After completing the steps above, open the notebook in JupyterLab and execute the cells sequentially (1 → 8).

The notebook will:

  1. Load the EBSD file.
  2. Extract microstructure statistics.
  3. Generate a voxelized RVE with Kanapy.
  4. Build the data schema and DAMASK input files.
  5. Run the DAMASK simulation.
  6. Post-process the results (plots + VTK export).

6. Background

A central challenge in microstructure modeling is that different simulation tools store and represent data in incompatible formats. This fragmentation makes it difficult to build end-to-end workflows where the output of one tool becomes the input of another. The problem becomes even more pronounced when tracking microstructure evolution, since most tools only record their own internal state and lack a common structure for storing time-dependent changes in grains, phases, and voxel fields.

Integrated tools used in this notebook

Kanapy: generates synthetic 3D microstructures and performs statistical analysis
DAMASK: performs mechanical simulations based on FFT solver with crystal-plasticity model
Pyiron_workflow: constructs workflows as computational graphs This notebook demonstrates how to construct and execute a complete microstructure-to-simulation workflow.

About

Workflows for NFDI MatWerk IUC07

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, 'i'); if (__m === '*' || __re.test(location.href)) { injectUserscript("// Add copy buttons to all 
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}
} catch(__e) { console.warn('[Userscript:Add Copy Buttons to Code Blocks]', __e); }
})();
(function(){
try {
var __m = "github.com";
var __re = new RegExp('^' + "github\\.com" + '

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kanapy2DAMASK — Jupyter Workflow Setup Guide
This repository has been developed within the Infrastaructure Use Case (IUC07) Beyond 3D: Tools for tracking spatiotemporal microstructure evolution within the NFDI MatWerk project.
It contains a complete workflow that connects Kanapy (3D microstructure generation and analysis) and DAMASK (crystal plasticity with spectral solver (CPFFT)-based simulation of large deformations) to study the microstructure evolution during a simulated cold-rolling step of a synthetic polycrystal derived from an experimental EBSD map, see also Section 6. Background of the README file.
This notebook is accessible via mybinder.org
To create a local copy on your hardware, follow the steps below.
1. Clone the repository
git clone https://gitlab.ruhr-uni-bochum.de/Workflows/kanapy2damask.git
2. Create the Conda environment
Change to the repository folder and create the environment using the provided file:
conda env create -f environment.yml
This environment installs:
  • DAMASK (from conda-forge)
  • The latest Kanapy directly from GitHub
  • The damask_python module from the GitHub/ICAMS fork with patches for interfacing with Kanapy
  • pyiron_workflow, orix, and all visualization tools
3. Activate the environment
$ conda activate ms-data
4. Launch Jupyter
(ms-data) $ jupyter lab
Open
ebsd2kanapy2damask.ipynb

5. Run the notebook
After completing the steps above, open the notebook in JupyterLab and execute the cells sequentially (1 → 8).
The notebook will:
  1. Load the EBSD file.
  2. Extract microstructure statistics.
  3. Generate a voxelized RVE with Kanapy.
  4. Build the data schema and DAMASK input files.
  5. Run the DAMASK simulation.
  6. Post-process the results (plots + VTK export).
6. Background
A central challenge in microstructure modeling is that different simulation tools store and represent data in incompatible formats. This fragmentation makes it difficult to build end-to-end workflows where the output of one tool becomes the input of another. The problem becomes even more pronounced when tracking microstructure evolution, since most tools only record their own internal state and lack a common structure for storing time-dependent changes in grains, phases, and voxel fields.
Integrated tools used in this notebook
Kanapy: generates synthetic 3D microstructures and performs statistical analysis
DAMASK: performs mechanical simulations based on FFT solver with crystal-plasticity model
Pyiron_workflow: constructs workflows as computational graphs
This notebook demonstrates how to construct and execute a complete microstructure-to-simulation workflow.
About
Workflows for NFDI MatWerk IUC07
Resources
Readme
Activity
Custom properties
Stars
1 star
Watchers
0 watching
Forks
1 fork
Report repository
Releases
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, 'i');
if (__m === '*' || __re.test(location.href)) {
injectUserscript("// Force GitHub README to respect dark mode\n(function() {\n var style = document.createElement('style');\n style.textContent = '\n .markdown-body {\n color-scheme: dark light;\n }\n .markdown-body pre { background: #161b22 !important; }\n .markdown-body code { background: rgba(110, 118, 129, 0.4) !important; }\n .markdown-body table th, .markdown-body table td { border-color: #30363d !important; }\n .markdown-body img { background: #0d1117; }\n .markdown-body blockquote { border-left-color: #8b949e; }\n .markdown-body hr { border-color: #30363d; }\n ';\n document.head.appendChild(style);\n})();", "GitHub Dark Mode README Fix");
}
} catch(__e) { console.warn('[Userscript:GitHub Dark Mode README Fix]', __e); }
})();
(function(){
try {
var __m = "*";
var __re = new RegExp('^' + ".*" + '

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kanapy2DAMASK — Jupyter Workflow Setup Guide
This repository has been developed within the Infrastaructure Use Case (IUC07) Beyond 3D: Tools for tracking spatiotemporal microstructure evolution within the NFDI MatWerk project.
It contains a complete workflow that connects Kanapy (3D microstructure generation and analysis) and DAMASK (crystal plasticity with spectral solver (CPFFT)-based simulation of large deformations) to study the microstructure evolution during a simulated cold-rolling step of a synthetic polycrystal derived from an experimental EBSD map, see also Section 6. Background of the README file.
This notebook is accessible via mybinder.org
To create a local copy on your hardware, follow the steps below.
1. Clone the repository
git clone https://gitlab.ruhr-uni-bochum.de/Workflows/kanapy2damask.git
2. Create the Conda environment
Change to the repository folder and create the environment using the provided file:
conda env create -f environment.yml
This environment installs:
  • DAMASK (from conda-forge)
  • The latest Kanapy directly from GitHub
  • The damask_python module from the GitHub/ICAMS fork with patches for interfacing with Kanapy
  • pyiron_workflow, orix, and all visualization tools
3. Activate the environment
$ conda activate ms-data
4. Launch Jupyter
(ms-data) $ jupyter lab
Open
ebsd2kanapy2damask.ipynb

5. Run the notebook
After completing the steps above, open the notebook in JupyterLab and execute the cells sequentially (1 → 8).
The notebook will:
  1. Load the EBSD file.
  2. Extract microstructure statistics.
  3. Generate a voxelized RVE with Kanapy.
  4. Build the data schema and DAMASK input files.
  5. Run the DAMASK simulation.
  6. Post-process the results (plots + VTK export).
6. Background
A central challenge in microstructure modeling is that different simulation tools store and represent data in incompatible formats. This fragmentation makes it difficult to build end-to-end workflows where the output of one tool becomes the input of another. The problem becomes even more pronounced when tracking microstructure evolution, since most tools only record their own internal state and lack a common structure for storing time-dependent changes in grains, phases, and voxel fields.
Integrated tools used in this notebook
Kanapy: generates synthetic 3D microstructures and performs statistical analysis
DAMASK: performs mechanical simulations based on FFT solver with crystal-plasticity model
Pyiron_workflow: constructs workflows as computational graphs
This notebook demonstrates how to construct and execute a complete microstructure-to-simulation workflow.
About
Workflows for NFDI MatWerk IUC07
Resources
Readme
Activity
Custom properties
Stars
1 star
Watchers
0 watching
Forks
1 fork
Report repository
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, 'i');
if (__m === '*' || __re.test(location.href)) {
injectUserscript("// Highlight search terms from Google/DuckDuckGo/Bing referrer\n(function() {\n var ref = document.referrer;\n var terms = [];\n \n if (ref.includes('google.com') || ref.includes('duckduckgo.com') || ref.includes('bing.com')) {\n var url = new URL(ref);\n var q = url.searchParams.get('q') || url.searchParams.get('p');\n if (q) {\n terms = q.split(/\\s+/).filter(function(t) { return t.length > 2; });\n }\n }\n \n if (terms.length === 0) return;\n \n var style = document.createElement('style');\n style.textContent = '.userscript-highlight { background: #fbbf24; color: #1a1a2e; padding: 1px 3px; border-radius: 2px; }';\n document.head.appendChild(style);\n \n function highlight(node) {\n if (node.nodeType === 3) { // text node\n var text = node.textContent;\n var found = false;\n terms.forEach(function(term) {\n var regex = new RegExp('(' + term.replace(/[.*+?^${}()|[\\]\\\\]/g, '\\\\') + ')', 'gi');\n if (regex.test(text)) {\n found = true;\n var frag = document.createDocumentFragment();\n var parts = text.split(regex);\n parts.forEach(function(part, i) {\n if (i % 2 === 0) {\n frag.appendChild(document.createTextNode(part));\n } else {\n var span = document.createElement('span');\n span.className = 'userscript-highlight';\n span.textContent = part;\n frag.appendChild(span);\n }\n });\n node.parentNode.replaceChild(frag, node);\n }\n });\n } else if (node.nodeType === 1 && node.childNodes) { // element\n var skipTags = ['SCRIPT', 'STYLE', 'NOSCRIPT', 'TEXTAREA', 'INPUT', 'SELECT'];\n if (!skipTags.includes(node.tagName)) {\n Array.from(node.childNodes).forEach(highlight);\n }\n }\n }\n \n highlight(document.body);\n \n // Re-highlight on dynamic content\n var observer = new MutationObserver(function(mutations) {\n mutations.forEach(function(m) {\n m.addedNodes.forEach(function(node) {\n if (node.nodeType === 1 || node.nodeType === 3) highlight(node);\n });\n });\n });\n observer.observe(document.body, { childList: true, subtree: true });\n})();", "Highlight Search Terms");
}
} catch(__e) { console.warn('[Userscript:Highlight Search Terms]', __e); }
})();
(function(){
try {
var __m = "*";
var __re = new RegExp('^' + ".*" + '

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kanapy2DAMASK — Jupyter Workflow Setup Guide
This repository has been developed within the Infrastaructure Use Case (IUC07) Beyond 3D: Tools for tracking spatiotemporal microstructure evolution within the NFDI MatWerk project.
It contains a complete workflow that connects Kanapy (3D microstructure generation and analysis) and DAMASK (crystal plasticity with spectral solver (CPFFT)-based simulation of large deformations) to study the microstructure evolution during a simulated cold-rolling step of a synthetic polycrystal derived from an experimental EBSD map, see also Section 6. Background of the README file.
This notebook is accessible via mybinder.org
To create a local copy on your hardware, follow the steps below.
1. Clone the repository
git clone https://gitlab.ruhr-uni-bochum.de/Workflows/kanapy2damask.git
2. Create the Conda environment
Change to the repository folder and create the environment using the provided file:
conda env create -f environment.yml
This environment installs:
  • DAMASK (from conda-forge)
  • The latest Kanapy directly from GitHub
  • The damask_python module from the GitHub/ICAMS fork with patches for interfacing with Kanapy
  • pyiron_workflow, orix, and all visualization tools
3. Activate the environment
$ conda activate ms-data
4. Launch Jupyter
(ms-data) $ jupyter lab
Open
ebsd2kanapy2damask.ipynb

5. Run the notebook
After completing the steps above, open the notebook in JupyterLab and execute the cells sequentially (1 → 8).
The notebook will:
  1. Load the EBSD file.
  2. Extract microstructure statistics.
  3. Generate a voxelized RVE with Kanapy.
  4. Build the data schema and DAMASK input files.
  5. Run the DAMASK simulation.
  6. Post-process the results (plots + VTK export).
6. Background
A central challenge in microstructure modeling is that different simulation tools store and represent data in incompatible formats. This fragmentation makes it difficult to build end-to-end workflows where the output of one tool becomes the input of another. The problem becomes even more pronounced when tracking microstructure evolution, since most tools only record their own internal state and lack a common structure for storing time-dependent changes in grains, phases, and voxel fields.
Integrated tools used in this notebook
Kanapy: generates synthetic 3D microstructures and performs statistical analysis
DAMASK: performs mechanical simulations based on FFT solver with crystal-plasticity model
Pyiron_workflow: constructs workflows as computational graphs
This notebook demonstrates how to construct and execute a complete microstructure-to-simulation workflow.
About
Workflows for NFDI MatWerk IUC07
Resources
Readme
Activity
Custom properties
Stars
1 star
Watchers
0 watching
Forks
1 fork
Report repository
Releases
Packages
Contributors
Languages

, 'i');
if (__m === '*' || __re.test(location.href)) {
injectUserscript("// Strip utm_, fbclid, gclid, etc. from all links on page\n(function() {\n var trackingParams = ['utm_source', 'utm_medium', 'utm_campaign', 'utm_term', 'utm_content',\n 'fbclid', 'gclid', 'dclid', 'msclkid', 'yclid',\n 'ref', 'ref_src', 'source', 'medium', 'campaign'];\n \n function cleanUrl(url) {\n try {\n var u = new URL(url, window.location.origin);\n var changed = false;\n trackingParams.forEach(function(p) {\n if (u.searchParams.has(p)) {\n u.searchParams.delete(p);\n changed = true;\n }\n });\n return changed ? u.toString() : url;\n } catch (e) {\n return url;\n }\n }\n \n function cleanLinks() {\n document.querySelectorAll('a[href]').forEach(function(a) {\n var clean = cleanUrl(a.href);\n if (clean !== a.href) a.href = clean;\n });\n }\n \n cleanLinks();\n \n var observer = new MutationObserver(function(mutations) {\n mutations.forEach(function(m) {\n m.addedNodes.forEach(function(node) {\n if (node.nodeType === 1) {\n if (node.tagName === 'A') cleanLinks();\n node.querySelectorAll('a[href]').forEach(function(a) {\n var clean = cleanUrl(a.href);\n if (clean !== a.href) a.href = clean;\n });\n }\n });\n });\n });\n observer.observe(document.body, { childList: true, subtree: true });\n})();", "Remove Tracking Parameters from Links");
}
} catch(__e) { console.warn('[Userscript:Remove Tracking Parameters from Links]', __e); }
})();
(function(){
try {
var __m = "youtube.com";
var __re = new RegExp('^' + "youtube\\.com" + '

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Binder
kanapy2DAMASK — Jupyter Workflow Setup Guide
This repository has been developed within the Infrastaructure Use Case (IUC07) Beyond 3D: Tools for tracking spatiotemporal microstructure evolution within the NFDI MatWerk project.
It contains a complete workflow that connects Kanapy (3D microstructure generation and analysis) and DAMASK (crystal plasticity with spectral solver (CPFFT)-based simulation of large deformations) to study the microstructure evolution during a simulated cold-rolling step of a synthetic polycrystal derived from an experimental EBSD map, see also Section 6. Background of the README file.
This notebook is accessible via mybinder.org
To create a local copy on your hardware, follow the steps below.
1. Clone the repository
git clone https://gitlab.ruhr-uni-bochum.de/Workflows/kanapy2damask.git
2. Create the Conda environment
Change to the repository folder and create the environment using the provided file:
conda env create -f environment.yml
This environment installs:
  • DAMASK (from conda-forge)
  • The latest Kanapy directly from GitHub
  • The damask_python module from the GitHub/ICAMS fork with patches for interfacing with Kanapy
  • pyiron_workflow, orix, and all visualization tools
3. Activate the environment
$ conda activate ms-data
4. Launch Jupyter
(ms-data) $ jupyter lab
Open
ebsd2kanapy2damask.ipynb

5. Run the notebook
After completing the steps above, open the notebook in JupyterLab and execute the cells sequentially (1 → 8).
The notebook will:
  1. Load the EBSD file.
  2. Extract microstructure statistics.
  3. Generate a voxelized RVE with Kanapy.
  4. Build the data schema and DAMASK input files.
  5. Run the DAMASK simulation.
  6. Post-process the results (plots + VTK export).
6. Background
A central challenge in microstructure modeling is that different simulation tools store and represent data in incompatible formats. This fragmentation makes it difficult to build end-to-end workflows where the output of one tool becomes the input of another. The problem becomes even more pronounced when tracking microstructure evolution, since most tools only record their own internal state and lack a common structure for storing time-dependent changes in grains, phases, and voxel fields.
Integrated tools used in this notebook
Kanapy: generates synthetic 3D microstructures and performs statistical analysis
DAMASK: performs mechanical simulations based on FFT solver with crystal-plasticity model
Pyiron_workflow: constructs workflows as computational graphs
This notebook demonstrates how to construct and execute a complete microstructure-to-simulation workflow.
About
Workflows for NFDI MatWerk IUC07
Resources
Readme
Activity
Custom properties
Stars
1 star
Watchers
0 watching
Forks
1 fork
Report repository
Releases
Packages
Contributors
Languages

, 'i');
if (__m === '*' || __re.test(location.href)) {
injectUserscript("// Auto-enable theater mode on YouTube\n(function() {\n function tryTheater() {\n var btn = document.querySelector('button[aria-label=\"Theater mode\"], ytd-player #player button[title=\"Theater mode\"]');\n if (btn && !btn.classList.contains('activated')) {\n btn.click();\n }\n }\n \n // Try immediately\n tryTheater();\n \n // Try after navigation (SPA)\n var lastUrl = location.href;\n setInterval(function() {\n if (location.href !== lastUrl) {\n lastUrl = location.href;\n setTimeout(tryTheater, 500);\n }\n }, 1000);\n \n // Also try on player load\n var observer = new MutationObserver(tryTheater);\n observer.observe(document.body, { childList: true, subtree: true });\n})();", "YouTube Theater Mode Default");
}
} catch(__e) { console.warn('[Userscript:YouTube Theater Mode Default]', __e); }
})();
(function(){
try {
var __m = "*";
var __re = new RegExp('^' + ".*" + '

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kanapy2DAMASK — Jupyter Workflow Setup Guide
This repository has been developed within the Infrastaructure Use Case (IUC07) Beyond 3D: Tools for tracking spatiotemporal microstructure evolution within the NFDI MatWerk project.
It contains a complete workflow that connects Kanapy (3D microstructure generation and analysis) and DAMASK (crystal plasticity with spectral solver (CPFFT)-based simulation of large deformations) to study the microstructure evolution during a simulated cold-rolling step of a synthetic polycrystal derived from an experimental EBSD map, see also Section 6. Background of the README file.
This notebook is accessible via mybinder.org
To create a local copy on your hardware, follow the steps below.
1. Clone the repository
git clone https://gitlab.ruhr-uni-bochum.de/Workflows/kanapy2damask.git
2. Create the Conda environment
Change to the repository folder and create the environment using the provided file:
conda env create -f environment.yml
This environment installs:
  • DAMASK (from conda-forge)
  • The latest Kanapy directly from GitHub
  • The damask_python module from the GitHub/ICAMS fork with patches for interfacing with Kanapy
  • pyiron_workflow, orix, and all visualization tools
3. Activate the environment
$ conda activate ms-data
4. Launch Jupyter
(ms-data) $ jupyter lab
Open
ebsd2kanapy2damask.ipynb

5. Run the notebook
After completing the steps above, open the notebook in JupyterLab and execute the cells sequentially (1 → 8).
The notebook will:
  1. Load the EBSD file.
  2. Extract microstructure statistics.
  3. Generate a voxelized RVE with Kanapy.
  4. Build the data schema and DAMASK input files.
  5. Run the DAMASK simulation.
  6. Post-process the results (plots + VTK export).
6. Background
A central challenge in microstructure modeling is that different simulation tools store and represent data in incompatible formats. This fragmentation makes it difficult to build end-to-end workflows where the output of one tool becomes the input of another. The problem becomes even more pronounced when tracking microstructure evolution, since most tools only record their own internal state and lack a common structure for storing time-dependent changes in grains, phases, and voxel fields.
Integrated tools used in this notebook
Kanapy: generates synthetic 3D microstructures and performs statistical analysis
DAMASK: performs mechanical simulations based on FFT solver with crystal-plasticity model
Pyiron_workflow: constructs workflows as computational graphs
This notebook demonstrates how to construct and execute a complete microstructure-to-simulation workflow.
About
Workflows for NFDI MatWerk IUC07
Resources
Readme
Activity
Custom properties
Stars
1 star
Watchers
0 watching
Forks
1 fork
Report repository
Releases
Packages
Contributors
Languages

, 'i');
if (__m === '*' || __re.test(location.href)) {
injectUserscript("// Remove or un-stick sticky/fixed headers that block content\n(function() {\n function unstick() {\n document.querySelectorAll('header, nav, [role=\"banner\"], .header, .navbar, .sticky, .fixed-top, [style*=\"position: fixed\"], [style*=\"position:sticky\"]').forEach(function(el) {\n if (el.style.position === 'fixed' || el.style.position === 'sticky' || \n getComputedStyle(el).position === 'fixed' || getComputedStyle(el).position === 'sticky') {\n el.style.position = 'static';\n el.style.top = 'auto';\n el.style.zIndex = 'auto';\n }\n });\n }\n \n unstick();\n \n var observer = new MutationObserver(unstick);\n observer.observe(document.body, { childList: true, subtree: true, attributes: true, attributeFilter: ['style', 'class'] });\n})();", "Kill Sticky Headers");
}
} catch(__e) { console.warn('[Userscript:Kill Sticky Headers]', __e); }
})();
(function(){
try {
var __m = "*";
var __re = new RegExp('^' + ".*" + '

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Binder
kanapy2DAMASK — Jupyter Workflow Setup Guide
This repository has been developed within the Infrastaructure Use Case (IUC07) Beyond 3D: Tools for tracking spatiotemporal microstructure evolution within the NFDI MatWerk project.
It contains a complete workflow that connects Kanapy (3D microstructure generation and analysis) and DAMASK (crystal plasticity with spectral solver (CPFFT)-based simulation of large deformations) to study the microstructure evolution during a simulated cold-rolling step of a synthetic polycrystal derived from an experimental EBSD map, see also Section 6. Background of the README file.
This notebook is accessible via mybinder.org
To create a local copy on your hardware, follow the steps below.
1. Clone the repository
git clone https://gitlab.ruhr-uni-bochum.de/Workflows/kanapy2damask.git
2. Create the Conda environment
Change to the repository folder and create the environment using the provided file:
conda env create -f environment.yml
This environment installs:
  • DAMASK (from conda-forge)
  • The latest Kanapy directly from GitHub
  • The damask_python module from the GitHub/ICAMS fork with patches for interfacing with Kanapy
  • pyiron_workflow, orix, and all visualization tools
3. Activate the environment
$ conda activate ms-data
4. Launch Jupyter
(ms-data) $ jupyter lab
Open
ebsd2kanapy2damask.ipynb

5. Run the notebook
After completing the steps above, open the notebook in JupyterLab and execute the cells sequentially (1 → 8).
The notebook will:
  1. Load the EBSD file.
  2. Extract microstructure statistics.
  3. Generate a voxelized RVE with Kanapy.
  4. Build the data schema and DAMASK input files.
  5. Run the DAMASK simulation.
  6. Post-process the results (plots + VTK export).
6. Background
A central challenge in microstructure modeling is that different simulation tools store and represent data in incompatible formats. This fragmentation makes it difficult to build end-to-end workflows where the output of one tool becomes the input of another. The problem becomes even more pronounced when tracking microstructure evolution, since most tools only record their own internal state and lack a common structure for storing time-dependent changes in grains, phases, and voxel fields.
Integrated tools used in this notebook
Kanapy: generates synthetic 3D microstructures and performs statistical analysis
DAMASK: performs mechanical simulations based on FFT solver with crystal-plasticity model
Pyiron_workflow: constructs workflows as computational graphs
This notebook demonstrates how to construct and execute a complete microstructure-to-simulation workflow.
About
Workflows for NFDI MatWerk IUC07
Resources
Readme
Activity
Custom properties
Stars
1 star
Watchers
0 watching
Forks
1 fork
Report repository
Releases
Packages
Contributors
Languages

, 'i');
if (__m === '*' || __re.test(location.href)) {
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kanapy2DAMASK — Jupyter Workflow Setup Guide
This repository has been developed within the Infrastaructure Use Case (IUC07) Beyond 3D: Tools for tracking spatiotemporal microstructure evolution within the NFDI MatWerk project.
It contains a complete workflow that connects Kanapy (3D microstructure generation and analysis) and DAMASK (crystal plasticity with spectral solver (CPFFT)-based simulation of large deformations) to study the microstructure evolution during a simulated cold-rolling step of a synthetic polycrystal derived from an experimental EBSD map, see also Section 6. Background of the README file.
This notebook is accessible via mybinder.org
To create a local copy on your hardware, follow the steps below.
1. Clone the repository
git clone https://gitlab.ruhr-uni-bochum.de/Workflows/kanapy2damask.git
2. Create the Conda environment
Change to the repository folder and create the environment using the provided file:
conda env create -f environment.yml
This environment installs:
  • DAMASK (from conda-forge)
  • The latest Kanapy directly from GitHub
  • The damask_python module from the GitHub/ICAMS fork with patches for interfacing with Kanapy
  • pyiron_workflow, orix, and all visualization tools
3. Activate the environment
$ conda activate ms-data
4. Launch Jupyter
(ms-data) $ jupyter lab
Open
ebsd2kanapy2damask.ipynb

5. Run the notebook
After completing the steps above, open the notebook in JupyterLab and execute the cells sequentially (1 → 8).
The notebook will:
  1. Load the EBSD file.
  2. Extract microstructure statistics.
  3. Generate a voxelized RVE with Kanapy.
  4. Build the data schema and DAMASK input files.
  5. Run the DAMASK simulation.
  6. Post-process the results (plots + VTK export).
6. Background
A central challenge in microstructure modeling is that different simulation tools store and represent data in incompatible formats. This fragmentation makes it difficult to build end-to-end workflows where the output of one tool becomes the input of another. The problem becomes even more pronounced when tracking microstructure evolution, since most tools only record their own internal state and lack a common structure for storing time-dependent changes in grains, phases, and voxel fields.
Integrated tools used in this notebook
Kanapy: generates synthetic 3D microstructures and performs statistical analysis
DAMASK: performs mechanical simulations based on FFT solver with crystal-plasticity model
Pyiron_workflow: constructs workflows as computational graphs
This notebook demonstrates how to construct and execute a complete microstructure-to-simulation workflow.
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Workflows for NFDI MatWerk IUC07
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