Machball

Machball is a package for solving reactive transport inside nanostructured and high surface area materials in presence of self-limited surface kinetics, such as in the case of atomic layer deposition and atomic layer etching.

Installation

Machball is a package writen in Python, and it requires Python 3. There are two simple ways of installing Machball:

  1. Using Python’s pip:

    pip install machball

  2. From github:

    git clone https://github.com/aldsim/machball.git
cd machball/
pip install -e .

Getting started

Once it has been installed, Machball is trivial to use. Here is a simple snippet to model the transport inside a circular via:

from machball import ALDIdeal
from machball.ballistic import Via
ald = ALDIdeal(1e-2, 100, 473, 10, 10e-20, betarec=0)
st = Via(50, 100) # Aspect ratio, and number of segments
dose_times, coverages = ald.saturation_ballistic(st)

The variables dose_times and coverages are 1D array with dose times and a 2D array with the fractional coverage profile inside the via for each of the times.

About

Machball was developed at Argonne National Laboratory. Currently the team comprises:

  • Angel Yanguas-Gil, ayg@anl.gov, Lead and founder.
  • Jeffrey W Elam

Citing

If you are referencing Machball in a publication, please cite the following paper:

  • Ballistic transport model:

    A. Yanguas-Gil and J. W. Elam, A Markov chain approach to simulate Atomic Layer Deposition chemistry and transport inside nanostructured substrates, Theoretical Chemistry Accounts 133, Article number: 1465 (2014). http://dx.doi.org/10.1007/s00214-014-1465-x

Acknowledgements

Machball development was partially funded through Argonne’s Laboratory Directed Research and Development program.

Indices and tables