A robust three-parameter reference curve for condensed phase materials

Lozano, Eduardo; Aslam, Tariq D.

doi:10.1063/5.0076897

Title: A robust three-parameter reference curve for condensed phase materials

Journal Article · 02 January 2022 · Journal of Applied Physics

DOI: https://doi.org/10.1063/5.0076897 · OSTI ID:1862813

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Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Many isothermal equations of state lead to numerical problems under tension conditions due to negative bulk modulus. We summarize the properties of four existing models and devise a continuous non-piecewise reference curve to address this issue. The final functional form contains three fitting parameters that are directly related to the bulk modulus and its pressure derivative at the reference state and at infinite pressures. We also include bounds that guarantee the monotonicity of its pressure derivative in all volume space. To demonstrate the qualitative features of each isotherm, we conduct calibrations against experimental data for cyclotetramethylene tetranitramine, magnesium oxide, gold, and platinum. Furthermore, pressure residuals and root mean square deviations show that the proposed functional form is capable of adequately fitting the data compared to other three-parameter models.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: 89233218CNA000001

OSTI ID:: 1862813

Report Number(s):: LA-UR-21-30730

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 1 Vol. 131; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
bulk modulus
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hydrodynamics
speed of sound
thermodynamic properties

Title: A robust three-parameter reference curve for condensed phase materials

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