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Title: Multiscale modeling of beryllium: quantum mechanics and laser-driven shock experiments using novel diagnostics.

Abstract

Ab initio quantum mechanics was used to construct a thermodynamically complete and rigorous equation of state for beryllium in the hexagonal and body-centred cubic structures, and to predict elastic constants as a function of compression. The equation of state agreed well with Hugoniot data and previously-published equations of state, but the temperatures were significantly different. The hexagonal/bcc phase boundary agreed reasonably well with published data, suggesting that the temperatures in our new equation of state were accurate. Shock waves were induced in single crystals and polycrystalline foils of beryllium, by direct illumination using the TRIDENT laser at Los Alamos. The velocity history at the surface of the sample was measured using a line-imaging VISAR, and transient X-ray diffraction (TXD) records were obtained with a plasma backlighter and X-ray streak cameras. The VISAR records exhibited elastic precursors, plastic waves, phase changes and spall. Dual TXD records were taken, in Bragg and Laue orientations. The Bragg lines moved in response to compression in the uniaxial direction. Because direct laser drive was used, the results had to be interpreted with the aid of radiation hydrodynamics simulations to predict the loading history for each laser pulse. In the experiments where there was evidence ofmore » polymorphism in the VISAR record, additional lines appeared in the Bragg and Laue records. The corresponding pressures were consistent with the phase boundary predicted by the quantum mechanical equation of state for beryllium. A model of the response of a single crystal of beryllium to shock loading is being developed using these new theoretical and experimental results. This model will be used in meso-scale studies of the response of the microstructure, allowing us to develop a more accurate representation of the behaviour of polycrystalline beryllium.« less

Authors:
 [1]; ; ;
  1. Damian C.
Publication Date:
Research Org.:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
976173
Report Number(s):
LA-UR-02-2701
TRN: US1002810
Resource Type:
Conference
Resource Relation:
Conference: Submitted to: International Conference on New Models and Hydrocodes for Shock Wave Process in Condensed Matter, Edinburg, U.K., 19-24 May 2002
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 70 PLASMA PHYSICS AND FUSION TECHNOLOGY; BERYLLIUM; COMPRESSION; ELASTICITY; EQUATIONS OF STATE; HYDRODYNAMICS; MICROSTRUCTURE; QUANTUM MECHANICS; SHOCK WAVES; TRIDENT FACILITY; LASER RADIATION; MATHEMATICAL MODELS

Citation Formats

Swift, D C, Paisley, Dennis L, Kyrala, George A, and Hauer, Allan. Multiscale modeling of beryllium: quantum mechanics and laser-driven shock experiments using novel diagnostics.. United States: N. p., 2002. Web.
Swift, D C, Paisley, Dennis L, Kyrala, George A, & Hauer, Allan. Multiscale modeling of beryllium: quantum mechanics and laser-driven shock experiments using novel diagnostics.. United States.
Swift, D C, Paisley, Dennis L, Kyrala, George A, and Hauer, Allan. 2002. "Multiscale modeling of beryllium: quantum mechanics and laser-driven shock experiments using novel diagnostics.". United States. https://www.osti.gov/servlets/purl/976173.
@article{osti_976173,
title = {Multiscale modeling of beryllium: quantum mechanics and laser-driven shock experiments using novel diagnostics.},
author = {Swift, D C and Paisley, Dennis L and Kyrala, George A and Hauer, Allan},
abstractNote = {Ab initio quantum mechanics was used to construct a thermodynamically complete and rigorous equation of state for beryllium in the hexagonal and body-centred cubic structures, and to predict elastic constants as a function of compression. The equation of state agreed well with Hugoniot data and previously-published equations of state, but the temperatures were significantly different. The hexagonal/bcc phase boundary agreed reasonably well with published data, suggesting that the temperatures in our new equation of state were accurate. Shock waves were induced in single crystals and polycrystalline foils of beryllium, by direct illumination using the TRIDENT laser at Los Alamos. The velocity history at the surface of the sample was measured using a line-imaging VISAR, and transient X-ray diffraction (TXD) records were obtained with a plasma backlighter and X-ray streak cameras. The VISAR records exhibited elastic precursors, plastic waves, phase changes and spall. Dual TXD records were taken, in Bragg and Laue orientations. The Bragg lines moved in response to compression in the uniaxial direction. Because direct laser drive was used, the results had to be interpreted with the aid of radiation hydrodynamics simulations to predict the loading history for each laser pulse. In the experiments where there was evidence of polymorphism in the VISAR record, additional lines appeared in the Bragg and Laue records. The corresponding pressures were consistent with the phase boundary predicted by the quantum mechanical equation of state for beryllium. A model of the response of a single crystal of beryllium to shock loading is being developed using these new theoretical and experimental results. This model will be used in meso-scale studies of the response of the microstructure, allowing us to develop a more accurate representation of the behaviour of polycrystalline beryllium.},
doi = {},
url = {https://www.osti.gov/biblio/976173}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jan 01 00:00:00 EST 2002},
month = {Tue Jan 01 00:00:00 EST 2002}
}

Conference:
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