SPPARKS is an open-source parallel simulation code for developing and running various kinds of on-lattice Monte Carlo models at the atomic or meso scales. It can be used to study the properties of solid-state materials as well as model their dynamic evolution during processing. The modular nature of the code allows new models and diagnostic computations to be added without modification to its core functionality, including its parallel algorithms. A variety of models for microstructural evolution (grain growth), solid-state diffusion, thin film deposition, and additive manufacturing (AM) processes are included in the code. SPPARKS can also be used to implement grid-based algorithms such as phase field or cellular automata models, to run either in tandem with a Monte Carlo method or independently. For very large systems such as AM applications, the Stitch I/O library is included, which enables only a small portion of a huge system to be resident in memory. In this paper we describe SPPARKS and its parallel algorithms and performance, explain how new Monte Carlo models can be added, and highlight a variety of applications which have been developed within the code.
Mitchell, John A., et al. "Parallel simulation via SPPARKS of on-lattice kinetic and Metropolis Monte Carlo models for materials processing." Modelling and Simulation in Materials Science and Engineering, vol. 31, no. 5, May. 2023. https://doi.org/10.1088/1361-651X/accc4b
Mitchell, John A., Abdeljawad, Fadi, Battaile, Corbett, Garcia-Cardona, Cristina, Holm, Elizabeth A., Homer, Eric R., Madison, Jon, Rodgers, Theron M., Thompson, Aidan P., Tikare, Veena, Webb, Ed, & Plimpton, Steven J. (2023). Parallel simulation via SPPARKS of on-lattice kinetic and Metropolis Monte Carlo models for materials processing. Modelling and Simulation in Materials Science and Engineering, 31(5). https://doi.org/10.1088/1361-651X/accc4b
Mitchell, John A., Abdeljawad, Fadi, Battaile, Corbett, et al., "Parallel simulation via SPPARKS of on-lattice kinetic and Metropolis Monte Carlo models for materials processing," Modelling and Simulation in Materials Science and Engineering 31, no. 5 (2023), https://doi.org/10.1088/1361-651X/accc4b
@article{osti_1973040,
author = {Mitchell, John A. and Abdeljawad, Fadi and Battaile, Corbett and Garcia-Cardona, Cristina and Holm, Elizabeth A. and Homer, Eric R. and Madison, Jon and Rodgers, Theron M. and Thompson, Aidan P. and Tikare, Veena and others},
title = {Parallel simulation via SPPARKS of on-lattice kinetic and Metropolis Monte Carlo models for materials processing},
annote = {Abstract SPPARKS is an open-source parallel simulation code for developing and running various kinds of on-lattice Monte Carlo models at the atomic or meso scales. It can be used to study the properties of solid-state materials as well as model their dynamic evolution during processing. The modular nature of the code allows new models and diagnostic computations to be added without modification to its core functionality, including its parallel algorithms. A variety of models for microstructural evolution (grain growth), solid-state diffusion, thin film deposition, and additive manufacturing (AM) processes are included in the code. SPPARKS can also be used to implement grid-based algorithms such as phase field or cellular automata models, to run either in tandem with a Monte Carlo method or independently. For very large systems such as AM applications, the Stitch I/O library is included, which enables only a small portion of a huge system to be resident in memory. In this paper we describe SPPARKS and its parallel algorithms and performance, explain how new Monte Carlo models can be added, and highlight a variety of applications which have been developed within the code.},
doi = {10.1088/1361-651X/accc4b},
url = {https://www.osti.gov/biblio/1973040},
journal = {Modelling and Simulation in Materials Science and Engineering},
issn = {ISSN 0965-0393},
number = {5},
volume = {31},
place = {United Kingdom},
publisher = {IOP Publishing},
year = {2023},
month = {05}}
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Sponsoring Organization:
Air Force Office of Scientific Research (AFOSR); National Science Foundation (NSF); USDOE; USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
NA0003525
OSTI ID:
1973040
Alternate ID(s):
OSTI ID: 2311606 OSTI ID: 1969590
Report Number(s):
SAND--2023-07659J
Journal Information:
Modelling and Simulation in Materials Science and Engineering, Journal Name: Modelling and Simulation in Materials Science and Engineering Journal Issue: 5 Vol. 31; ISSN 0965-0393
SC '19: The International Conference for High Performance Computing, Networking, Storage, and Analysis, Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysishttps://doi.org/10.1145/3295500.3356165