U.S. Department of EnergyOffice of Scientific and Technical Information
ATOMIC Simulations and Experimental Data for Basalt-like Compounds
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 [2]. The makeup of the plasma was considered to be divided into some proportion water, some proportion Martian atmosphere (CO2), and some proportion target (from the rock or object impacted by the laser), where these proportions add to 1. Based on expert knowledge, the proportion of water was kept in the range [0.0,0.5] and the proportion of atmosphere was kept in the range [0.02, 0.9]. Our overall suite of simulations contains six sets of simulations that differ in which elements were considered to make up the target. Within each set, we used uniformly drawn temperatures and log mass densities within pre-specified ranges. The temperature range was [0.5,1.5] eV and the log (base 10) mass density range was [-7,-4]. The proportion of water, atmosphere, and target were drawn from a symmetric Dirichlet distribution, but draws in which the propor- tion of water or atmosphere exceeded the pre-specified limits were rejected from the design. Up to eleven constituent elements (Si, Al, Fe, Mg,more »
- Authors:
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;
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- Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Los Alamos National Laboratory
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Publication Date:
- Other Number(s):
- LA-UR-20-27924
- DOE Contract Number:
- 89233218CNA000001
- Research Org.:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE Laboratory Directed Research and Development (LDRD) Program
- Subject:
- 70 PLASMA PHYSICS AND FUSION TECHNOLOGY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
- OSTI Identifier:
- 1670467
- DOI:
- https://doi.org/10.25583/1670467
Citation Formats
Klein, Natalie, Colgan, James, Judge, Elizabeth, Bhat, Kabekode, Myers, Kary, and Lawrence, Earl. ATOMIC Simulations and Experimental Data for Basalt-like Compounds. United States: N. p., 2020.
Web. doi:10.25583/1670467.
Klein, Natalie, Colgan, James, Judge, Elizabeth, Bhat, Kabekode, Myers, Kary, & Lawrence, Earl. ATOMIC Simulations and Experimental Data for Basalt-like Compounds. United States. doi:https://doi.org/10.25583/1670467
Klein, Natalie, Colgan, James, Judge, Elizabeth, Bhat, Kabekode, Myers, Kary, and Lawrence, Earl. 2020.
"ATOMIC Simulations and Experimental Data for Basalt-like Compounds". United States. doi:https://doi.org/10.25583/1670467. https://www.osti.gov/servlets/purl/1670467. Pub date:Tue Oct 06 04:00:00 UTC 2020
@article{osti_1670467,
title = {ATOMIC Simulations and Experimental Data for Basalt-like Compounds},
author = {Klein, Natalie and 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 [2]. The makeup of the plasma was considered to be divided into some proportion water, some proportion Martian atmosphere (CO2), and some proportion target (from the rock or object impacted by the laser), where these proportions add to 1. Based on expert knowledge, the proportion of water was kept in the range [0.0,0.5] and the proportion of atmosphere was kept in the range [0.02, 0.9]. Our overall suite of simulations contains six sets of simulations that differ in which elements were considered to make up the target. Within each set, we used uniformly drawn temperatures and log mass densities within pre-specified ranges. The temperature range was [0.5,1.5] eV and the log (base 10) mass density range was [-7,-4]. The proportion of water, atmosphere, and target were drawn from a symmetric Dirichlet distribution, but draws in which the propor- tion of water or atmosphere exceeded the pre-specified limits were rejected from the design. Up to eleven constituent elements (Si, Al, Fe, Mg, Ca, O, Ti, Mn, Na, K, P) were considered for the target, as they are the most common elements found in basalt compounds and were used in [1]. For each run, the proportions of the constituent elements making up the target were drawn from a symmetric Dirichlet distribution. We ran 1,350 simulations that included nonzero proportions of all eleven elements. We also ran simulations which excluded some of these elements. In particular, we ran 1,000 simulations that only included nonzero proportions for the six most common elements (Si, Al, Fe, Mg, Ca, O). We also ran five sets, each with 500 simulations, that only included nonzero proportions for five of the six most common elements (but where all sets included O). Thus, we generated a total of 4,850 spectra representing basalt-like compounds in which the target was comprised of oxygen and between four and ten other elements. The ATOMIC code produced spectra over a range of 240nm - 880nm that roughly mimics the range collected by the ChemCam instrument on the Mars rover Curiosity. Each spectra had 32,000 wavelengths split across three spectrometer ranges (to mimic ChemCam). The experimental data, described in [1], measures a prepared basalt sample. All files are kept in directories whose names indicate the set of elements considered for the target 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 which contains a header with measurement information, followed by a collection of 50 shots across a collection of wavelengths, along with the computed median and mean across shots.},
doi = {10.25583/1670467},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Oct 06 04:00:00 UTC 2020},
month = {Tue Oct 06 04:00:00 UTC 2020}
}