Research data supporting "Exploring the internal structure of soot particles using nanoindentation: A reactive molecular dynamics study"
Repository URI
Repository DOI
Change log
Authors
Pascazio, L
Martin, Jacob https://orcid.org/0000-0002-7514-4549
Bowal, Kimberly https://orcid.org/0000-0002-2815-6280
Akroyd, Jethro https://orcid.org/0000-0002-2143-8656
Kraft, Markus https://orcid.org/0000-0002-4293-8924
Description
Input files for molecular dynamics simulations of cross-linked clusters of molecules. See the readme.txt file for detailed instructions.
Version
Software / Usage instructions
LAMMPS (for MD simulations)
Matlab (for data processing)
Keywords
molecular dynamics, reactive force field, hardness, crosslinking, nanoindentation