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Materials Algorithms Project
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  1. Provenance of code.
  2. Purpose of code.
  3. Specification.
  4. Description of program's operation.
  5. References.
  6. Parameter descriptions.
  7. Error indicators.
  8. Accuracy estimate.
  9. Any additional information.
  10. Example of code
  11. Auxiliary routines required.
  12. Keywords.
  13. Download source code.
  14. Links.

Provenance of Source Code

M. Murugananth,
Phase Transformations Group,
Department of Materials Science and Metallurgy,
University of Cambridge,
Cambridge CB2 3QZ, U.K.

E-mail: Ananth

Added to MAP: November 2002.

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Calculation of the yield and ultimate tensile strengths, elongation and Charpy toughness of ferritic steel welds made using arc welding. The inputs are chemical composition and welding conditions.

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Language: C, FORTRAN, Shell Scripts
Product form: Source code and executables
Platform: Linux

Complete program.

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binThis directory contains models and then accessory programs
anndata_exampleFile containing inputs that are to be varied. Format of this file is <base composition><minimum><maximum><step size><step (yes=1,no=0)><Input name>.
run_modelsScript to run the models. To execute type "./run_models" and press enter. Do not edit this script unless you know what you are doing.
CHP_unsorted_RESULT.datFile contains the predictions of Charpy impact toughness. Format of the file: <Variable stepped> <Predicted value><Error value><Prediction-error><Prediction+error>.
YS_unsorted_RESULT.datContains predictions of yield strength. File format same as CHP_unsorted_RESULT.dat.
UTS_unsorted_RESULT.datContains predictions of ultimate-tensile strength.
ELN_unsorted_RESULT.datContains predictions of elongation.
acc_progcontains accessory programs that program "run_models" script uses
data_no.cTo read the number of input data.
split_out.cTo split out the composition inputs for ys, uts, elongation and Charpy toughness models. Note that the oxygen and nitrogen concentrations do not affect the yield strength. Nitrogen does not affect ultimate tensile strength and elonation. Hence when varying these elements expect changes in only toughness predictions.
ysDirectory containing yield strength model
utsDirectory containing ultimate-tensile strength model
chpDirectory containing Charpy toughness model
elnDirectory containing Elogation model
chp_RESULT,eln_RESULT,ys_RESULT and uts_RESULTIn case you have stepped more than one variable in the anndata_example file, then the results for each variable are separated and placed in this directory.

Using the module :

  1. Download the module here
  2. tar --gunzip -xvf whole_of_this_module.tar.gz
  3. Change directory to ys_uts_chp_eln
  4. Modify anndata_example and save it in another name
  5. Type ./run_models to run the model

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Input parameters

Check file "anndata_example". The order of the input parameters is as follows :

  1. Carbon / wt%
  2. Silicon / wt%
  3. Manganese / wt%
  4. Sulphur / wt%
  5. Phosphorus / wt%
  6. Nickel / wt%
  7. Chromium / wt%
  8. Molybdenum / wt%
  9. Vanadium / wt%
  10. Copper / wt%
  11. Cobalt / wt%
  12. Tungsten
  13. Oxygen / ppmw
  14. Titanium / ppmw
  15. Nitrogen / ppmw
  16. Boron / ppmw
  17. Niobium / ppmw
  18. Heat input / kJ mm-1
  19. Interpass temperature / oC
  20. Post-weld heat treatment temperature / oC
  21. Post-weld heat treatment time / h
  22. Testing temperature for Charpy toughness / oC
You just need to modify the anndata_example file or a file of similar kind with the same format. An example of the file format is as follows :
Base value Minimum Maximum Step (1 to step and 0 not to step) Variable name
0.025 0.02 0.2 0.01 1 C
0.370.1 0.5 0.1 0 Si
0.650.1 5 0.2 0 Mn
0.0060 0 0 0 S
-60 -100 20 20 1 TT

Output parameters

Files CHP_unsorted_RESULT.dat, YS_unsorted_RESULT.dat, UTS_unsorted_RESULT.dat and ELN_unsorted_RESULT.dat. Format as specified earlier.

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Error Indicators

As provided by the error values in the result files.

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No information supplied.

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Further Comments


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1. Program text

Complete program.

2. Program data

Input data line 1
Input data line 2

3. Program results

An example of output in CHP_unsorted_RESULT.dat 

Variable Prediction Error Prediction-error Prediction+error

0.500000 77.4628500 15.3096900 62.1531600 92.7725400
0.600000 78.6107100 14.7398100 63.8709000 93.3505500
0.700000 79.7214000 14.2370100 65.4843900 93.9584100
0.800000 80.7942000 13.8014700 66.9927300 94.5956700

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Auxiliary Routines


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Charpy toughness, yield strength, ultimate-tensile strength, elongation, steels

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Download source code(Linux module)

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MAP originated from a joint project of the National Physical Laboratory and the University of Cambridge.