Research data supporting "Exploring the internal structure of soot particles using nanoindentation: A reactive molecular dynamics study"

Research data supporting "Exploring the internal structure of soot particles using nanoindentation: A reactive molecular dynamics study"

Repository URI

https://www.repository.cam.ac.uk/handle/1810/305841

Repository DOI

https://doi.org/10.17863/CAM.52414

Files

data.zip (62.8 MB)

Type

Authors

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.

Software / Usage instructions

LAMMPS (for MD simulations) Matlab (for data processing)

Keywords

molecular dynamics, reactive force field, hardness, crosslinking, nanoindentation

Rights and licensing

Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)

Except where otherwised noted, this item's license is described as Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)

Relationships

Supplements:

https://www.repository.cam.ac.uk/handle/1810/304989

https://doi.org/10.1016/j.combustflame.2020.04.029

Collections

Research Data - Chemical Engineering and Biotechnology