This file (README.txt) helps describe the file types and analysis performed. This data set is a companion to the following paper: A. Creuziger, L. Hu, T. Gnaeupel-Herold, A. D. Rollett "Crystallographic Texture Evolution in 1008 Steel Sheet During Multi-axial Tensile Strain Paths" accepted to Integrating Materials and Manufacturing Innovation ---------------------------- ------NIST Disclaimers------ ---------------------------- Certain commercial equipment, instruments, or materials are identified in this dataset in order to specify the experimental and computational procedure adequately. Such identification is not intended to imply recommendation or endorsement by the National Institute of Standards and Technology, nor is it intended to imply that the materials or equipment identified are necessarily the best available for the purpose. The software package "PF" was developed at the National Institute of Standards and Technology by employees of the Federal Government in the course of their official duties. Pursuant to title 17 Section 105 of the United States Code this software is not subject to copyright protection and is in the public domain. It is an experimental system. NIST assumes no responsibility whatsoever for its use by other parties, and makes no guarantees, expressed or implied, about its quality, reliability, or any other characteristic. We would appreciate acknowledgement if the software is used. This software can be redistributed and/or modified freely provided that any derivative works bear some notice that they are derived from it, and any modified versions bear some notice that they have been modified. --------------------------------- ------Directory Descriptions----- --------------------------------- This dataset is composed of 4 parts. Repository_Data.zip PF.zip README.txt Data_Analysis_Flowchart.pdf README.txt describes the directory contents and data analysis. Data_Analysis_Flowchart.pdf is a visual schematic of the data analysis and computational process. PF.zip contains the program PF as an executable (.exe) file, two data files (.dat) that PF requires and a manual for PF (PF_manual.pdf). This version of PF was downloaded on 06 Dec 2013 from: http://www.ncnr.nist.gov/instruments/bt8/BT8DataAnalysis.htm. Inside Repository_Data.zip there are 8 different directories: /Experimental_bt8_files /Experimental_COD_files /Experimental_epf_files /Manuals /VPSC_applied_stress /VPSC_COD_files /VPSC_input_files /VPSC_weights Copies of the README.txt and Data_Analysis_Flowchart.pdf files are also included in Repository_Data.zip. A copy of the PF manual (PF_manual.pdf) is also included in the directory /Manuals. --------------------------------- ------Process Descriptions----- --------------------------------- The data acquisition and analysis process is illustrated in the attached flowchart "Data_Analysis_Flowchart.pdf". Two separate tracks are identified: "Experimental" and "Computational (VPSC)". Four colors are used to show the location of the data and/or programs. In the flowchart, data provided in the paper are colored orange, files included in the repository data are colored cyan, and parts of the texture analysis subroutines at Anthony Rollett's web page (Rollett Web -> http://neon.materials.cmu.edu/rollett/texture_subroutines/) are highlighted in yellow. White icons are not included in any of these locations. "Samples" are individual cubes of strained sheet metal with edge lengths of approximately 5 mm. Five different strain paths were explored. They are described by a text string (RD, PSRD, BB, PSTD, TD) followed by a percent strain increment (10, 20, 30). Additionally, an as received (AR) sample was created. The file and directory names contained in this data set identify the strain path and strain increment associated with the data in the file. Samples were sectioned into squares from the strained sheet material. These squares were then stacked together to create a cube. Material and process properties of the samples are described in the paper. "Neutron Diffraction" was performed by the BT8 Residual Stress Diffractometer (http://www.ncnr.nist.gov/instruments/bt8/) at the NIST Center for Neutron Research (http://www.ncnr.nist.gov/). Three complete pole figures ({110}, {200} and {211} reflections) were recorded for each sample in the .bt8 data format. A hexagonal mesh was used to cover the pole figure, and line profiles (counts per channel) are recorded at each point. The program "PF" was written previously to analyze the .bt8 data files. For each of the line profiles recorded, the distributions are fit to determine the intensity (in counts) at each point. In this analysis a gaussian distribution with constant background was fit to each line profile. Orthotropic symmetry was applied to the data after appropriate rotation to correct any misalignment in mounting the sample. In the directory "/Experimental bt8 files" the files "BT8_filedescription.txt" and "BT8_filedescription.xlsx" describe the file name, sample description, number of points in the pole figure, 2-theta angle, estimated d spacing, plane reflecting, acquisition time, and applied rotation in PF to align the data with the X and Y plot axes. After analysis the pole figure data was exported in the .epf file type. Each pole figure was exported separately, and then the shell application 'cat' was used to combine the .epf files. The reflection plane (2nd line in .epf file) is not specified by the PF program, and needed to be manually entered. The program "BWIMV" performs pole figure to orientation distribution function (ODF) inversion using the WIMV algorithm. It requires an input file (.bwm) generated from the program "bwimvgen" to set the pole figure planes expected by BWIMV as well as files in the .epf format. As mentioned previously, these two programs are part of the texture analysis subroutines available at Anthony Rollett's web page (Rollett Web -> http://neon.materials.cmu.edu/rollett/texture_subroutines/). Many of these programs were originally part of the popLA texture analysis package, but have been re-compiled as standalone programs. As such some details of the use and application of the programs are contained in the popLA manual. The program BWIMV is interactive, but also permits the use of a text file as an input when run as a shell script. The file 'wimvbatch.sh' is a shell script that works with BWIMV to automate and make this portion of the analysis consistent. ODFs are output as sample orientation distribution (.SOD) files. These SOD files are converted to crystal orientation distribution (.COD) files with the popLA program "SOD2COD". From the .COD files, a perl script was written to translate the data to a format for gnuplot. Gnuplot version 4.4 patchlevel 3 was used to generate the figures shown in the paper. A popLA program "diff" was used to create difference maps between two .COD files. The ODF from the as received sample was processed using the program "weights" to generate a list of discrete orientations (.wts) that are required for an input to VPSC. After generation of the .wts file using the program "weights" additional modification of the file was required for the ODFs to match. On the computational tracks, the applied strains (.3), slip systems (.sxb) and input files (.in) were created to match the experimental conditions. These files were then used as input to the VPSC program. Running the VPSC program results in two output files: STR_STR.OUT and TEX_PH1.OUT, as well as log files. The TEX_PH1.OUT file was renamed to match the strain path and strain increment abbreviations used for experimental data with the file type .tex (same format at .wts). The program "wts2cod" was used to create a .COD file from the .tex files. ------------------------------ ------Manual Descriptions----- ------------------------------ Three manuals are included in the directories: PF_manual.pdf, popLA_Manual.pdf and VPSC7c_manual.pdf. The file PF_manual.pdf describes use of the program PF. This version of the PF_manual was downloaded on 06 Dec 2013 from: http://www.ncnr.nist.gov/instruments/bt8/BT8DataAnalysis.htm. The file popLA_Manual.pdf describes the popLA data format and texture analysis subroutines. popLA_Manual.pdf was located at http://neon.mems.cmu.edu/rollett/27750/popLA_Manual.pdf and downloaded on 25 Nov 2013. The VPSC manual describes the data formats in VPSC. The manual was included with the VPSC software and appears here to clarify the VPSC data formats. As the manual indicates, the authors of VPSC "distribute this code [VPSC] free of charge on a personal basis and ask you not to make it available to other users." As such the VPSC program is not included in this dataset. The VPSC manual is included in this data set with the permission of Carlos Tomé. Version 7c was used in the analysis presented here. ----------------------------------- ------File Format Descriptions----- ----------------------------------- There are 7 different data file types (.bt8, .epf, .COD, .3, .sxb, .in, .wts/.tex) files included in this package. .bt8 Files --------------------- Data format used in recording data at the BT8 Residual Stress Diffractometer (http://www.ncnr.nist.gov/instruments/bt8/) at the NIST Center for Neutron Research (http://www.ncnr.nist.gov/). The program PF was written specifically to interact and interpret these data and is the recommended way to read them. Files consist of a header that includes the filename and analysis parameters on lines 1 and 2. The sample description is listed on line 3 and the scan parameters listed on lines 4 through 8. Lines 9 through 29 describe the motor settings for the diffractometer. After line 29, blocks of comma delimited data describe the number of counts per channel for a given tilt (motor A25) and rotation (motor A24). .epf Files --------------------- Pole figures described in the .epf files are recorded in the general intensity file format developed for popLA. Appendix B2 on page 40 of the popLA_manual.pdf describes the data structure. .COD Files --------------------- Orientation distribution functions (ODFs) described in the .COD files are recorded in the general intensity file format developed for popLA. Appendix B2 on page 40 of the popLA_manual.pdf describes the data structure. .3 Files --------------------- File formats for process files to VPSC (.3) are described in the VPSC manual. This file describes the rotation tensor and stress tensor applied. For version VPSC 7c, section 2-6-2-1 on page 49 and 50 of the VPSC7c_manual.pdf describes the data structure. The manual was included with the VPSC software. .sxb Files --------------------- File formats for FILECRYS input to VPSC (.sxb) are described in the VPSC manual. These files describe the slip systems and interaction For version VPSC 7c, section 2-6-4 on page 52 and 53 of the VPSC7c_manual.pdf describes the data structure. .in Files --------------------- File formats for input files to VPSC (.in) are described in the VPSC manual. These files describe the approximate grain shape, types of grain interactions and the additional input files for VPSC. For version VPSC 7c, section 2-6-1 on page 44 of the VPSC7c_manual.pdf describes the data structure. .tex, .wts Files --------------------- The texture data output from VPSC is in the format of discrete grains files developed for popLA. Appendix B6 on page 44 of the popLA_manual.pdf describes the data structure.