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Title: ATOMIC Simulations and Experimental Data for Sodium and Copper Mixtures

Abstract

This data consists of simulations and experimental measurements of laser-induced breakdown spectroscopy (LIBS). The simulations are produced by ATOMIC, a general purpose plasma modeling and kinetics code that has been designed to compute emission (or absorption) spectra from plasmas [1]. Our overall suite of simulations contains 12 sets of simulations: training and validation sets of simulations for each of two resolutions of each of sodium, copper, and mixtures of the two. The training data were produced using a 500-run design that varies input parameters temperature (T), electron density (Ne), proportion of sodium (pNa), and proportion of copper (pCu). The latter two variables sum to one and are unused in the single-element simulations. The validation data was produced with a 25-run design. The coarse simulations produce spectra over a range of 240nm - 880nm that roughly mimics the range collected by the ChemCam instrument on the Mars rover Curiosity. The fine resolution simulations produce spectra over a range of 550nm to 600nm and were produced to mimic the included experimental results. The experimental results cover four mixtures of sodium and copper. All data sets are kept in zip files whose names indicate the elemental composition (NaCu, Na, or Cu), resolution (coarsemore » or fine), and purpose (training or validation) with file names numbered to indicate the line in the design files used to produce the simulation. The designs are provided as text files with names indicating their purpose. The experimental data is provided as a CSV file. See attached abstract for figures.« less

Authors:
ORCiD logo ; ORCiD logo ; ORCiD logo ; ORCiD logo ; ORCiD logo
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Other Number(s):
LA-UR-20-23189
DOE Contract Number:  
89233218CNA000001
Product Type:
Dataset
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); USDOE Laboratory Directed Research and Development (LDRD) Program
Subject:
70 PLASMA PHYSICS AND FUSION TECHNOLOGY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
OSTI Identifier:
1616321
DOI:
https://doi.org/10.25583/1616321

Citation Formats

Colgan, James, Judge, Elizabeth, Bhat, Kabekode, Myers, Kary, and Lawrence, Earl. ATOMIC Simulations and Experimental Data for Sodium and Copper Mixtures. United States: N. p., 2020. Web. doi:10.25583/1616321.
Colgan, James, Judge, Elizabeth, Bhat, Kabekode, Myers, Kary, & Lawrence, Earl. ATOMIC Simulations and Experimental Data for Sodium and Copper Mixtures. United States. doi:https://doi.org/10.25583/1616321
Colgan, James, Judge, Elizabeth, Bhat, Kabekode, Myers, Kary, and Lawrence, Earl. 2020. "ATOMIC Simulations and Experimental Data for Sodium and Copper Mixtures". United States. doi:https://doi.org/10.25583/1616321. https://www.osti.gov/servlets/purl/1616321. Pub date:Tue Apr 28 00:00:00 EDT 2020
@article{osti_1616321,
title = {ATOMIC Simulations and Experimental Data for Sodium and Copper Mixtures},
author = {Colgan, James and Judge, Elizabeth and Bhat, Kabekode and Myers, Kary and Lawrence, Earl},
abstractNote = {This data consists of simulations and experimental measurements of laser-induced breakdown spectroscopy (LIBS). The simulations are produced by ATOMIC, a general purpose plasma modeling and kinetics code that has been designed to compute emission (or absorption) spectra from plasmas [1]. Our overall suite of simulations contains 12 sets of simulations: training and validation sets of simulations for each of two resolutions of each of sodium, copper, and mixtures of the two. The training data were produced using a 500-run design that varies input parameters temperature (T), electron density (Ne), proportion of sodium (pNa), and proportion of copper (pCu). The latter two variables sum to one and are unused in the single-element simulations. The validation data was produced with a 25-run design. The coarse simulations produce spectra over a range of 240nm - 880nm that roughly mimics the range collected by the ChemCam instrument on the Mars rover Curiosity. The fine resolution simulations produce spectra over a range of 550nm to 600nm and were produced to mimic the included experimental results. The experimental results cover four mixtures of sodium and copper. All data sets are kept in zip files whose names indicate the elemental composition (NaCu, Na, or Cu), resolution (coarse or fine), and purpose (training or validation) with file names numbered to indicate the line in the design files used to produce the simulation. The designs are provided as text files with names indicating their purpose. The experimental data is provided as a CSV file. See attached abstract for figures.},
doi = {10.25583/1616321},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}