Initial configurations for: A new equation for the mean free path of air
Initial configurations and LAMMPS scripts to simulate air
OPEN ACCESS
Downloads
Loading...
Author / Producer
Date
2024-02-20
Publication Type
Dataset
ETH Bibliography
yes
Citations
Altmetric
OPEN ACCESS
Downloads
Data
Rights / License
Abstract
Initial configurations of simulation cells comprised 50,000 air molecules (79% N2 and 21% O2). The dataset contains LAMMPS configuration files corresponding to pressures, P = 0.5, 1, 3, and 5 atm, and temperatures, T = 100 - 3000 K.
Permanent link
Publication status
External links
Editor
Contributors
Contact person : Tsalikis, Dimitrios G.
Data collector : Tsalikis, Dimitrios G.
Producer : Tsalikis, Dimitrios G.
Project leader: Pratsinis, Sotiris E.
Researcher : Tsalikis, Dimitrios G.
Book title
Journal / series
Volume
Pages / Article No.
Publisher
ETH Zurich
Event
Edition / version
Methods
Software
The configuration files are prepared for the molecular dynamics simulation engine LAMMPS (www.lammps.org).
Geographic location
Place name
Zurich
Zurich
Date collected
2023-03-01/2023-11-30
Date created
Subject
Organisational unit
03510 - Pratsinis, Sotiris E. (emeritus) / Pratsinis, Sotiris E. (emeritus)
Notes
The three ZIP files were added on 2024-03-05.
Funding
182668 - Tailor-made Carbonaceous Nanoparticles by Multiscale Combustion Design (SNF)