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Title: Pre-inverted SESAME data table construction enhancements to correct unexpected inverse interpolation pathologies in EOSPAC 6

Abstract

It was recently demonstrated that EOSPAC 6 continued to incorrectly create and interpolate pre-inverted SESAME data tables after the release of version 6.3.2beta.2. Significant interpolation pathologies were discovered to occur when EOSPAC 6's host software enabled pre-inversion with the EOS_INVERT_AT_SETUP option. This document describes a solution that uses data transformations found in EOSPAC 5 and its predecessors. The numerical results and performance characteristics of both the default and pre-inverted interpolation modes in both EOSPAC 6.3.2beta.2 and the fixed logic of EOSPAC 6.4.0beta.1 are presented herein, and the latter software release is shown to produce significantly-improved numerical results for the pre-inverted interpolation mode.

Authors:
 [1];  [1]
  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:
1419738
Report Number(s):
LA-UR-18-20858
DOE Contract Number:
AC52-06NA25396
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
EOSPAC; Equation of State; SESAME

Citation Formats

Pimentel, David A., and Sheppard, Daniel G.. Pre-inverted SESAME data table construction enhancements to correct unexpected inverse interpolation pathologies in EOSPAC 6. United States: N. p., 2018. Web. doi:10.2172/1419738.
Pimentel, David A., & Sheppard, Daniel G.. Pre-inverted SESAME data table construction enhancements to correct unexpected inverse interpolation pathologies in EOSPAC 6. United States. doi:10.2172/1419738.
Pimentel, David A., and Sheppard, Daniel G.. 2018. "Pre-inverted SESAME data table construction enhancements to correct unexpected inverse interpolation pathologies in EOSPAC 6". United States. doi:10.2172/1419738. https://www.osti.gov/servlets/purl/1419738.
@article{osti_1419738,
title = {Pre-inverted SESAME data table construction enhancements to correct unexpected inverse interpolation pathologies in EOSPAC 6},
author = {Pimentel, David A. and Sheppard, Daniel G.},
abstractNote = {It was recently demonstrated that EOSPAC 6 continued to incorrectly create and interpolate pre-inverted SESAME data tables after the release of version 6.3.2beta.2. Significant interpolation pathologies were discovered to occur when EOSPAC 6's host software enabled pre-inversion with the EOS_INVERT_AT_SETUP option. This document describes a solution that uses data transformations found in EOSPAC 5 and its predecessors. The numerical results and performance characteristics of both the default and pre-inverted interpolation modes in both EOSPAC 6.3.2beta.2 and the fixed logic of EOSPAC 6.4.0beta.1 are presented herein, and the latter software release is shown to produce significantly-improved numerical results for the pre-inverted interpolation mode.},
doi = {10.2172/1419738},
journal = {},
number = ,
volume = ,
place = {United States},
year = 2018,
month = 2
}

Technical Report:

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  • This manual describes EOSPAC, a subroutine package for accessing the Los Alamos Sesame equations of state (EOS) data library, EOSPAC is designed for easy implementation in most hydrocodes running on the Los Alamos Cray-1 computers. The Sesame EOS data are in tabular form and are accessed in two phases. During the set-up phase, the requested data tables are read into a storage area and converted to a form suitable for the host code. During the search-interpolate phase, the stored data tables are used to compute the EOS values required by the host code. The set-up routines are called only atmore » problem initialization and hence use little computer time. The search-interpolate routines, however, are called throughout problem execution and hence have been heavily vectorized for the Los Alamos Cray-1 computers. The EOS data available through EOSPAC include thermodynamic properties (e.g., pressure and specific energy) and transport coefficients (e.g., opacity and conductivity).« less
  • A FORTRAN subroutine was written for the purpose of generating a table of data by interpolation in a smaller table of data. There are four options for the interpolation scheme. The purpose is to provide information for a table look-up'' which is usually much less costly than direct computation. (auth)
  • Abstract A thermodynamically consistent and fully general equation–of– state (EOS) for multifield applications is described. EOS functions are derived from a Helmholtz free energy expressed as the sum of thermal (fluctuational) and collisional (condensed–phase) contributions; thus the free energy is of the Mie–Gr¨uneisen1 form. The phase–coexistence region is defined using a parameterized saturation curve by extending the form introduced by Guggenheim,2 which scales the curve relative to conditions at the critical point. We use the zero–temperature condensed–phase contribution developed by Barnes,3 which extends the Thomas–Fermi–Dirac equation to zero pressure. Thus, the functional form of the EOS could be called MGGBmore » (for Mie– Gr¨uneisen–Guggenheim–Barnes). Substance–specific parameters are obtained by fitting the low–density energy to data from the Sesame4 library; fitting the zero–temperature pressure to the Sesame cold curve; and fitting the saturation curve and latent heat to laboratory data,5 if available. When suitable coexistence data, or Sesame data, are not available, then we apply the Principle of Corresponding States.2 Thus MGGB can be thought of as a numerical recipe for rendering the tabular Sesame EOS data in an analytic form that includes a proper coexistence region, and which permits the accurate calculation of derivatives associated with compressibility, expansivity, Joule coefficient, and specific heat, all of which are required for multifield applications. 1« less
  • MIXB, a BCON (LTSS) controller that generates equation-of-state and opacity data for mixtures and creates and updates Sesame library files with these data, is described. 4 figures.