Treffer: atoMEC: An open-source average-atom Python code

Title:
atoMEC: An open-source average-atom Python code
Authors:
Callow, Timothy J., Kotik, Daniel, Kraisler, Eli, Cangi, Attila
Source:
Proceedings of the 21st Python in Science Conference, pp. 37-45 (2022)
Publication Year:
2022
Collection:
Astrophysics
Condensed Matter
Physics (Other)
Subject Terms:
Physics - Plasma Physics, Astrophysics - Earth and Planetary Astrophysics, Astrophysics - Instrumentation and Methods for Astrophysics, Astrophysics - Solar and Stellar Astrophysics, Condensed Matter - Materials Science, Physics - Atomic Physics, Physics - Computational Physics
Document Type:
Report Working Paper
DOI:
10.25080/majora-212e5952-006
Access URL:
http://arxiv.org/abs/2206.01074
Accession Number:
edsarx.2206.01074
Database:
arXiv

Weitere Informationen

Average-atom models are an important tool in studying matter under extreme conditions, such as those conditions experienced in planetary cores, brown and white dwarfs, and during inertial confinement fusion. In the right context, average-atom models can yield results with similar accuracy to simulations which require orders of magnitude more computing time, and thus can greatly reduce financial and environmental costs. Unfortunately, due to the wide range of possible models and approximations, and the lack of open-source codes, average-atom models can at times appear inaccessible. In this paper, we present our open-source average-atom code, atoMEC. We explain the aims and structure of atoMEC to illuminate the different stages and options in an average-atom calculation, and to facilitate community contributions. We also discuss the use of various open-source Python packages in atoMEC, which have expedited its development.
Comment: 9 pages, 8 figures. Published in Proceedings of the 21st Python in Science Conference (SciPy 2022)