Dataset for publication: Parametrically Upscaled Model-based Predictive Platform for Fatigue with Location-Specific Microstructural Linkages

PUCM/PUCNM for DENT (in-house code repository) The zip file Coupon_Load315_CaseIV.zip contains the inputs used to generate results shown in Figures 3, and 6a &6b. The description of key files in the capsule is provided below: Input Files File Name Description MS_*.inp contain mesh details and feature properties materialPHCMTi64.inp Data file containing RAMPS and PUCM parameters bcs*.inp Defines boundary conditions elementsets.inp/nodesets.inp Defines element and node sets assignment*.inp Assigns boundary conditions to element/node sets form_coeffs_primAlpha.dat Functional form coefficients for primary alpha phase form_coeffs_transBeta.dat Functional form coefficients for transformed beta phase inputMain.inp Contains necessary input parameters timeIncrementation*.inp Contains time stepping information Executable Files required to run the simulation (Executables provided separately) File Name Description MainFiniteElementCMRL.exe This is the executable FEA code that should be used to run the preprocessing simulations to obtain the necessary initial guess for wavelet coefficients and their rate of evolution. convertProcessorBasedOutputsWatmus This is used to collate the output data from individual processors into a single unit. gencsdatCMRL This file operates on the output generated by MainFiniteElementCMRL.exe to compute the initial guess for wavelet coefficients and their rate of evolution ProgramWatmus.exe This file should be used to run the cycle scale simulations. reconDwellCMRL Reconstructs the outputs writeRAMPs.py This file generates RAMPs.out file that contains element IDs and their corresponding RAMPs for postprocessing. getRmacroUQ_withEpVM Calculates the probability of crack nucleation and the outputs the value of crack nucleation life. tpConv This can be used to plot the contours of stress or probability. Running the Analysis Prerequisites Intel Fortran Compiler (IFORT) 2021.7.0 20220726 Intel(R) MPI Library for Linux* OS, Version 2021.7 Build 20220909 (id: 6b6f6425df) Python Step-by-Step Procedure Setup Environment ###### Download required files#####Place the folder containing input files inside ./data/#####Place all the required codes inside ./code/- data/Coupon_Load315_CaseIV- code/*The folder structure should look as follows:.├── code/│ ├── convertProcessorBasedOutputsWatmus│ ├── gencsdatCMRL│ ├── getRmacroUQ_withEpVM.m│ ├── MainFiniteElementCmrl.exe│ ├── ProgramWatmus.exe│ ├── reconDwellCMRL│ ├── tpConv│ ├── writeRamps.py│ └── PUCNM_DISK_ABAQUSUMAT/│ ├── abaqus_v6.env│ ├── computePNucl.py│ ├── forFIP.py│ └── PUCMabaqus.o├── data/│ ├── Coupon_Load315_CaseIV/│ │ ├── Step1_finescale/│ │ ├── Step2_postProcess/│ │ └── Step3_coarsescale/│ │ └── Step4_CrackNuclAnalysis/│ └── PUCNM_DISK_ABAQUSUMAT/ Preprocessing Steps ##### Change directory to **Step1_finescale**cd Step1_finescale##### Run the preprocessing simulation ./run_job_step1.sh ##### Change directory to **Step2_postProcess** cd Step2_postProcess##### Run the postprocessing simulation ./run_job_step2.sh Execution ##### Change directory to **Step3_coarsescale** cd Step3_coarsescale ##### Run the postprocessing simulation ./run_job_step3.sh Output Generation ##### Change directory to **Step4_CrackNuclAnalysis** cd Step4_CrackNuclAnalysis ##### Run the postprocessing simulation ./run_job_step4.sh The crack nucleation life with its upper and lower bounds will be written to the file named "NuclElems.out". The file "MaxPnucl.out" contains the maximum probability of crack nucleation in the domain for every cycle step in the simulation. Post-Processing ##### Generate Contours ##### Change directory to **Step4_CrackNuclAnalysis** cd Step4_CrackNuclAnalysis ##### Run the postprocessing simulation ./generateContours.sh This will generate contour plots with .plt files which can be visualized in TecPlot. PUCM/PUCNM FOR THE DISK USING ABAQUS UMAT The zip file PUCNM_DISK_ABAQUSUMAT.zip contains the input files used to generate results shown in Figures 4, 5 and 6c &6d. The description of each file in the capsule is provided below: Input Files File Name Description diskJob.inp ABAQUS input file containing mesh details and boundary conditions for disk simulations fld_g.inp Data file containing RAMPS for each element in different zones of the disk fld_SF.inp Data file containing RAMPS for each element in different zones of the disk form_coeffs_primAlpha.dat Functional form coefficients for primary alpha phase (used by UMAT at runtime) form_coeffs_transBeta.dat Functional form coefficients for transformed beta phase (used by UMAT at runtime) Executable Files required to run the simulation (Executables provided separately) File Name Description abaqus_v6.env ABAQUS environment file PUCMabaqus.o Compiled UMAT object file for ABAQUS computePNucl.py Python script for PUCNM crack nucleation life calculation forFIP.py Python script for FIP-based crack nucleation life calculation Running the Analysis Prerequisites Access to ABAQUS license server ABAQUS 2023 (compatible version) Intel Fortran Compiler 2023 Step-by-Step Procedure Setup Environment ###### Download required files- data/PUCNM_DISK_ABAQUSUMAT/Disk_RPM8300_MS-1432/- code/PUCNM_DISK_ABAQUSUMAT/PUCMabaqus.o- code/PUCNM_DISK_ABAQUSUMAT/abaqus_v6.env- code/PUCNM_DISK_ABAQUSUMAT/*.py File Placement ##### Place the compiled UMAT and ABAQUS environment file in the simulation foldercp PUCMabaqus.o abaqus_v6.env *.py Disk_RPM8300_MS-1432/cd Disk_RPM8300_MS-1432/ Execute Simulation abaqus Job=diskJob.inp user=PUCMabaqus.o Output Generation Upon completion, generates diskJob.odb for post-processing Contains all field outputs and state variables Post-Processing 1. Visualization in ABAQUS/CAE Open the output database file: abaqus cae diskJob.odb Key State Variables (SDVs) SDV ID Variable Name SDV3 Equivalent Plastic Strain SDV33 Probability of Nucleation SDV47 MTR Intensity SDV48 Grain Size SDV49 Mean Misorientation 2. PUCNM Crack Nucleation Analysis Command: abaqus python computePNucl.py diskJob.odb 1 Output File: maxPnucl.out contains 8 columns as follows: Cycles | MaxProb | FailedElemID | MTRIntensity | gL | EquivalentPlasticStrain | Misorientation | GrainSize Crack Nucleation Criterion: MaxProb > 0.9 3. FIP-Based Crack Nucleation Analysis Command: abaqus python forFIP.py diskJob.odb 1 Output File: maxPnucl.out contains 4 columns as follows: Cycles | FailedElemID | FIPValue | MaxProb Crack Nucleation Criterion: MaxProb > 0.9