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Published March 23, 2023 | Version v1
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Effect of cascade overlap and C15 clusters on the damage evolution in Fe: An OKMC study

Creators

  • 1. Department of Physics, University of Helsinki, P.O. Box 43, FIN-00014, Finland; NOMATEN Center of Excellence, National Centre for Nuclear Research, st. Andrzeja Soltana 7, Otwock, 05-400, Swierk, Poland
  • 2. Department of Physics, University of Helsinki, P.O. Box 43, FIN-00014, Finland
  • 3. Departamento de Fisica Aplicada, Universidad de Alicante, Alicante, E-03690, Spain

Description

The Cascade-OKMC dataset consists of a collection of text-based files that correspond to cascade simulations on Fe. These simulations were conducted using Object Kinetic Monte Carlo (OKMC) with the MMonCa code..

 

Cascade-OKMC Dataset Structure

There are four folders related to the four "Cases" mentioned in the paper: “Case1”, “Case2”, “Case3”, and “Case4”. For each case, there are four subfolders, each named according to the duration time between each cascade. Inside each subfolder, there are between 9-10 txt files that represent the number of different defects as a function of the number of cascades. Please refer to the readme file, which explains which column is related to which kind of properties. Additionally, you can find the input file (input.mc) and output files (lattice.xyz and MmonCa.log) of the MmonCa code for one of the simulations by inserting the last cascade. There is also a folder named “S-Iron” for implementing C15 that you should replace in the source code of MmonCa with the same name. There is a folder named "movie" which contains files related to the simulation visualization. Please refer to the readme file for information about the movie

Cascade-OKMC Dataset Description

  • Paper: A. Esfandiarpour, J. Byggmastar, J. P. Balbuena, M. J. Caturla, K. Nordlund and F. Granberg “Effect of cascade overlap and C15 clusters on the damage evolution in Fe: An OKMC study” , Materialia, vol. 21, pp. 101344, March. 2022

 

 

  • Contact: amin.esfandiarpour@ncbj.gov.pl  

 

Am.efandiyarpour@gmail.com

Files

OKMC-simulations.zip

Files (347.8 MB)

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md5:27eaf0073d25b5e1a2ea6b108e787950
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Additional details

Related works

Is supplement to
Journal article: 10.1016/j.mtla.2022.101344 (DOI)