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Title: Equations of state for polyethylene and its shock-driven decomposition products

Abstract

We construct new equations of state (EOS) for high density and ultrahigh molecular weight polyethylene and their chemical decomposition products under shock loading. The former were built using the SESAME framework, based in part on new specific heat and thermal expansion data reported here. The products EOS was based on thermochemical modeling under the assumption of full thermodynamic and chemical equilibrium. The products are represented as the ideal mixture of bulk carbon in the form of diamond, H2, H, and CH4. In the process of building a new EOS for the products, we recalibrated our exponential-6 pair potential for methane in order to better agree with data that have appeared since its original parameterization. The polyethylene EOS were calibrated to thermal, thermomechanical, and shock data, and their performance was evaluated in hydrodynamic modeling of deep release experiments reported previously.

Authors:
ORCiD logo [1];  [1]; ORCiD logo [1]; ORCiD logo [1];  [1]; ORCiD logo [1]
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  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1558973
Alternate Identifier(s):
OSTI ID: 1545909
Report Number(s):
LA-UR-19-23172
Journal ID: ISSN 0021-8979; TRN: US2000269
Grant/Contract Number:  
89233218CNA000001
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 126; Journal Issue: 4; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; polyethylene; shock physics; equation of state

Citation Formats

Maerzke, Katie A., Coe, Joshua Damon, Ticknor, Christopher, Leiding, Jeffery Allen, Gammel, J. Tinka, and Welch, Cynthia F. Equations of state for polyethylene and its shock-driven decomposition products. United States: N. p., 2019. Web. doi:10.1063/1.5099371.
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Maerzke, Katie A., Coe, Joshua Damon, Ticknor, Christopher, Leiding, Jeffery Allen, Gammel, J. Tinka, & Welch, Cynthia F. Equations of state for polyethylene and its shock-driven decomposition products. United States. doi:10.1063/1.5099371.
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Maerzke, Katie A., Coe, Joshua Damon, Ticknor, Christopher, Leiding, Jeffery Allen, Gammel, J. Tinka, and Welch, Cynthia F. Wed . "Equations of state for polyethylene and its shock-driven decomposition products". United States. doi:10.1063/1.5099371. https://www.osti.gov/servlets/purl/1558973.
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@article{osti_1558973,
title = {Equations of state for polyethylene and its shock-driven decomposition products},
author = {Maerzke, Katie A. and Coe, Joshua Damon and Ticknor, Christopher and Leiding, Jeffery Allen and Gammel, J. Tinka and Welch, Cynthia F.},
abstractNote = {We construct new equations of state (EOS) for high density and ultrahigh molecular weight polyethylene and their chemical decomposition products under shock loading. The former were built using the SESAME framework, based in part on new specific heat and thermal expansion data reported here. The products EOS was based on thermochemical modeling under the assumption of full thermodynamic and chemical equilibrium. The products are represented as the ideal mixture of bulk carbon in the form of diamond, H2, H, and CH4. In the process of building a new EOS for the products, we recalibrated our exponential-6 pair potential for methane in order to better agree with data that have appeared since its original parameterization. The polyethylene EOS were calibrated to thermal, thermomechanical, and shock data, and their performance was evaluated in hydrodynamic modeling of deep release experiments reported previously.},
doi = {10.1063/1.5099371},
journal = {Journal of Applied Physics},
number = 4,
volume = 126,
place = {United States},
year = {2019},
month = {7}
}
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DOI:  10.1063/1.5099371
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    Equation of state for a chemically dissociative, polyatomic system: Carbon dioxide
    journal, December 2019

    • Wu, Christine J.; Young, David A.; Sterne, Philip A.
    • The Journal of Chemical Physics, Vol. 151, Issue 22
    • DOI: 10.1063/1.5128127
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