Changelog

0.2.0 (unreleased)

0.1.0 (2024-06-21)

New Features

• Port over existing work for elastic cylinder. Includes hodgepodge of workflows for RatelF83 upscaling that needs to be improved and properly incorporated (ARCHIVED-ISSUE-1, ARCHIVED-MERGE-1). By Thomas Allard.

• For Abaqus elastic cylinder, build implicit dynamic workflow and fix aspects of the quasi-static workflow (ARCHIVED-ISSUE-2, ARCHIVED-ISSUE-6, ARCHIVED-MERGE-2). By Thomas Allard.

• Create a new “tard-ex-env” environment hosted on aea servers using the environment.yml file. This environment will only work with the html target for now and future implementation of workflows using the new micromorphic filter. Existing workflows may be run using a local conda environment built with the environment.txt file (ARCHIVED-ISSUE-14, ARCHIVED-MERGE-3). By Thomas Allard.

• Duplicate workflows for Abaqus elastic cylinder simulations (quasi-static and dynamic) and modify to use new micromorphic filter implementation. It is likely that previous workflows using old filter will be removed (ARCHIVED-ISSUE-8, ARCHIVED-MERGE-5). By Thomas Allard.

• Implement multidomain upscaling for Abaqus elastic cylinder DNS studies (ARCHIVED-ISSUE-15, ARCHIVED-MERGE-6). By Thomas Allard.

• Implement method of interpolating Abaqus nodal fields to integration points. New method compares well with previous (for displacements) and now velocity and acceleration fields may be upscaled (ARCHIVED-ISSUE-17, ARCHIVED-MERGE-7). By Thomas Allard.

• Post-processing filter results refactored to build specific plot and csv targets. Plots for deviatoric stress norms added. Csv files now generated to summarize statistics (mean, min, max, standard deviation) of various stress and deformation measures. Stress statistics for multi-domain workflows collected and summarized across parameter studies (ARCHIVED-ISSUE-16, ARCHIVED-MERGE-8). By Thomas Allard.

• Build Ratel locally and hook into SConstruct (ARCHIVED-ISSUE-3, ARCHIVED-MERGE-9). By Thomas Allard.

• Implement upscaling workflows for Ratel quasi-static elastic cylinder DNS through Micromorphic Filter including single and multiple filter domains (ARCHIVED-ISSUE-4, ARCHIVED-MERGE-10). By Thomas Allard.

• Implement upscaling workflow for Ratel F83 heterogeneous DNS through Micromorphic Filter for multiple filter domains (including single) (ARCHIVED-ISSUE-18, ARCHIVED-MERGE-11). By Thomas Allard.

• Create new calibration script (calibrate_element.py) to calibrate micromorphic linear elasticity using averaged fields only for a specified element of the macroscale mesh filter domain. Updated multi domain workflows to use this script using a second nested parameter study to loop through each element. (ARCHIVED-ISSUE-19, ARCHIVED-MERGE-12). By Thomas Allard.

• Create script for parsing balance equation errors from Micromorphic Filter standard output which creates csv and plot files and added to workflows. Additional script for collecting output across multiple filtering domain studies (ARCHIVED-ISSUE-23, ARCHIVED-MERGE-13). By Thomas Allard.

• Added Ratel I41.02 elastic upscaling workflow (ARCHIVED-ISSUE-26, ARCHIVED-MERGE-14). By Thomas Allard.

• Added Tardigrade-MOOSE simulations to all workflows (ARCHIVED-ISSUE-10, ARCHIVED-MERGE-15). By Thomas Allard.

• Implemented better SConscript strategy to allow workflows to make use of common filter, calibration, and macroscale simulation steps (ARCHIVED-ISSUE-20, ARCHIVED-MERGE-17). By Thomas Allard.

• Add new joint probability distrbution plotting script and improve use of common SConscripts for upscaling workflows. Cleanup old meshes and DNS files. Add config file to specify program locations to be read by SConstruct (ARCHIVED-MERGE-19). By Thomas Allard.

• Migrate all steps for summarizing multi domain studies into a dedicated SConscript. Add CLI option to run this task (ARCHIVED-ISSUE-33, ARCHIVED-MERGE-20). By Thomas Allard.

• Migrate all “old” workflow associated with old Micromorphic Filter and rename all “new” workflows and scripts (ARCHIVED-ISSUE-24, ARCHIVED-MERGE-21). By Thomas Allard.

• Replace “options” argument in calibration and visualization scripts with explicit arguments for plotting, averaging, and calibration case. Remove unused “datacheck” target from all workflows (ARCHIVED-ISSUE-26, ARCHIVED-MERGE-22). By Thomas Allard.

• Migrate all SConscripts and workflows to a dedicated directory to declutter root (ARCHIVED-ISSUE-34, ARCHIVED-MERGE-23). By Thomas Allard.

• Implement –peta-data-copy local option to copy DNS files from the CU Peta library using the peta.py script throug SCP (ARCHIVED-ISSUE-30, ARCHIVED-MERGE-24). By Thomas Allard.

• Generate template meshes for users without access to Cubit and update workflows to handle this option (ARCHIVED-ISSUE-29 and ARCHIVED-MERGE-25). By Thomas Allard.

• Add new script to make a copy of Micromorphic Filter XDMF results file where absolute paths are replaced with local paths to allow results to be visualized by Paraview without crashing (ARCHIVED-ISSUE-35, ARCHIVED-MERGE-27). By Thomas Allard.

• Add new studies for Abaqus and Ratel with clamped boundary conditions (ARCHIVED-ISSUE-36, ARCHIVED-MERGE-28). By Thomas Allard.

• Add new scripts and associated workflows to plot Ratel DNS and Tardigrade-MOOSE force vs displacement results. Additional summary script to summarize force vs displacement results together for multi domain workflows (ARCHIVED-ISSUE-37, ARCHIVED-MERGE-29). By Thomas Allard.

• Add new script to be used with “–config-software” to configure paths to various software. Replace previous config.yml file with a template. (ARCHIVED-ISSUE-31, ARCHIVED-MERGE-33). By Thomas Allard.

• Add new study for single filter domains “RVE” study for Ratel I41_02 elastic DNS (ARCHIVED-ISSUE-9, ARCHIVED-MERGE-35). By Thomas Allard.

• Add capability to apply “best” calibration results to Tardigrade-MOOSE simulations determined from peak values from a kernel density estimate to elements located on the boundary (ARCHIVED-ISSUE-42, ARCHIVED-MERGE-35). By Thomas Allard.

• Update Abaqus dynamic cylinder workflow to run basic macroscale simulation in Tardigrade-MOOSe (ARCHIVED-ISSUE-46, ARCHIVED-MERGE-38). By Thomas Allard.

• Add github workflow to deploy static documentation content to Pages for upcoming relesae (ARCHIVED-ISSUE-44, ARCHIVED-MERGE-41). By Thomas Allard.

Documentation

• Port over existing documentation (ARCHIVED-ISSUE-1, ARCHIVED-MERGE-1). By Thomas Allard.

• Overhaul documentation for entire repository and document Abaqus elastic cylinder dynamic implicit and quasi-static workflows through direct numerical simulation (ARCHIVED-ISSUE-2, ARCHIVED-ISSUE-6, ARCHIVED-MERGE-2). By Thomas Allard.

• Update README.rst with environment activation instructions for local and AEA usage of new environment (ARCHIVED-ISSUE-14, ARCHIVED-MERGE-3). By Thomas Allard.

• Improve documentation for Abaqus dynamic elastic cylinder and include calculation of series convergence term to prescribe a load resulting in 1% strain (ARCHIVED-ISSUE-8, ARCHIVED-MERGE-5). By Thomas Allard.

• Provide basic instructions for building and using Ratel in WAVES worklow (ARCHIVED-ISSUE-3, ARCHIVED-MERGE-9). By Thomas Allard.

• Add docstrings for all relevant scripts used in current workflows and add to API/CLI (ARCHIVED-ISSUE-12, ARCHIVED-MERGE-18). By Thomas Allard.

• Updating all documentation: improve uniaxial stress solutions, add pictures for Abaqus and Ratel elastic cylinder homogenization, improve formatting for software requirements and workflow overview, begin sections for all other upscaling studies (ARCHIVED-ISSUE-13, ARCHIVED-MERGE-26). By Thomas Allard.

• Document setup and use of all linked software. Add BSD-3 license file and add copyright and LANL code number O4375 to README (ARCHIVED-ISSUE-9, ARCHIVED-MERGE-35). By Thomas Allard.

• Document calibration workflow (ARCHIVED-ISSUE-47, ARCHIVED-MERGE-36). By Thomas Allard.

• Document macroscale simulation workflow (ARCHIVED-ISSUE-48, ARCHIVED-MERGE-37). By Thomas Allard.

• Create new image depicting the micromorphic reference and current configuration spaces. Document relevant micromorphic theory in appendix (ARCHIVED-ISSUE-11, ARCHIVED-MERGE-39). By Thomas Allard.

• Add and/or update all documentation for quasi-static verification, dynamic verification, and Ratel I41.02 upscaling studies (ARCHIVED-ISSUE-43, ARCHIVED-MERGE-40). By Thomas Allard.