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Title: An uncertainty-aware strategy for plasma mechanism reduction with directed weighted graphs

Journal Article · · Physics of Plasmas
DOI:https://doi.org/10.1063/5.0142726· OSTI ID:1974432

In this work, we present a framework for the analysis and reduction of plasma mechanisms by means of weighted directed graphs, in which reactions and species are both treated as nodes. The methodology consists of two distinct analyses. The first, which is qualitative, relies on graph spatializations via force-directed algorithms to discover the predominant global patterns in the chemical model. The second ranks the reactions based on their shortest paths' lengths from/to the species of interest and their relative contributions to the power balance. Further, this quantitative investigation enables a strategy for mechanism reduction that is fully automatized, as it does not require any expert knowledge, highly effective, as it generates reduced mechanisms that are highly accurate while relying on a small number of processes, and easily interpretable, as the algorithm justifies the importance of the retained reactions by outputting their related chemical pathways. Additionally, the work proposes a methodology extension that employs ensembles of graphs to improve the robustness of the reduced mechanism to reaction parameter uncertainties. The approach, here tested for steady-state predictions of a plasma system characterizing negative hydrogen ion sources, is general and can be used in a wide variety of applications outside the particular nuclear fusion context demonstrated in this work.

Research Organization:
Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ (United States); Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Fusion Energy Sciences (FES); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC); National Natural Science Foundation of China (NSFC)
Grant/Contract Number:
NA0003525; AC02-09CH11466; 12105041
OSTI ID:
1974432
Journal Information:
Physics of Plasmas, Vol. 30, Issue 4; ISSN 1070-664X
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English

References (37)

Benchmarking and validation of global model code for negative hydrogen ion sources journal November 2018
A note on two problems in connexion with graphs journal December 1959
Chemical model reduction under uncertainty journal May 2017
Does a reduced model reproduce the uncertainty of the original full-size model? journal April 2021
Statistical mechanics of complex networks journal January 2002
Combustion kinetic model uncertainty quantification, propagation and minimization journal April 2015
Construction and assessment of reduced oxidation mechanisms using global sensitivity analysis and uncertainty analysis journal January 2019
Recent improvements to the ITER neutral beam system design journal November 2012
Analysis of the chemical network in a volume-production high-current negative hydrogen ion source journal June 2021
Gephi: An Open Source Software for Exploring and Manipulating Networks journal March 2009
A directed relation graph method for mechanism reduction journal January 2005
Simplification of plasma chemistry by means of vital nodes identification journal September 2021
Topic-sensitive pagerank: A context-sensitive ranking algorithm for web search journal July 2003
Spectral uncertainty quantification, propagation and optimization of a detailed kinetic model for ethylene combustion journal January 2009
Dynamic graph models journal April 1997
Rescaling the complex network of low-temperature plasma chemistry through graph-theoretical analysis journal November 2020
A path flux analysis method for the reduction of detailed chemical kinetic mechanisms journal July 2010
A global pathway selection algorithm for the reduction of detailed chemical kinetic mechanisms journal May 2016
PumpKin: A tool to find principal pathways in plasma chemical models journal October 2014
Reaction Network Viewer (ReNView): An open-source framework for reaction path visualization of chemical reaction systems journal January 2020
A review of multiscale modeling of metal-catalyzed reactions: Mechanism development for complexity and emergent behavior journal October 2011
An efficient error-propagation-based reduction method for large chemical kinetic mechanisms journal July 2008
A taxonomy of integral reaction path analysis journal August 2006
Analysis of weblike network structures of directed graphs for chemical reactions in methane plasmas journal October 2015
ForceAtlas2, a Continuous Graph Layout Algorithm for Handy Network Visualization Designed for the Gephi Software journal June 2014
An Algorithm for the Determination of All Significant Pathways in Chemical Reaction Systems journal January 2004
Vital nodes identification in complex networks journal September 2016
Accounting for uncertainty in RCCE species selection journal October 2019
Skeletal reaction model generation, uncertainty quantification and minimization: Combustion of butane journal December 2014
Uncertainty analysis in mechanism reduction via active subspace and transition state analyses journal May 2021
The anatomy of a large-scale hypertextual Web search engine journal April 1998
Negative hydrogen ion source for TOKAMAK neutral beam injector (invited) journal February 2000
Graph Theory Applied to Plasma Chemical Reaction Engineering journal January 2021
How to balance computational cost and accuracy of the model for negative hydrogen ion sources? A level-lumping strategy journal July 2021
Convenient analytical solution for vibrational distribution function of molecules colliding with a wall journal October 2019
Graphical Classification in Multi-Centrality-Index Diagrams for Complex Chemical Networks journal December 2017
Graph neural networks: A review of methods and applications journal January 2020