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Title: First-principles calculations of solid and liquid aluminum optical absorption spectra near the melting curve: Ambient and high-pressure results

Abstract

Here, we present ab initio calculations of the linear optical conductivity of heated Al at ambient pressure and at the conditions relevant for shock melting (P~125 GPa, T~5000 K). It is shown that the visible and near-UV optical spectrum is very sensitive to the phase (fcc solid versus liquid) of Al for both P=0 and 125 GPa. The ambient-P results confirm an earlier prediction and the results of a recent experiment while the high-(P,T) results allow us to conclude that in situ measurements of optical constants should be able to diagnose the shock melting of Al.

Authors:
 [1];  [1];  [1];  [1];  [2]
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab., Livermore, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1281666
Report Number(s):
LLNL-JRNL-418294
Journal ID: ISSN 1098-0121
Grant/Contract Number:  
AC52-07NA27344
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 80; Journal Issue: 21; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Ogitsu, Tadashi, Benedict, Lorin X., Schwegler, Eric, Draeger, Erik W., and Prendergast, David. First-principles calculations of solid and liquid aluminum optical absorption spectra near the melting curve: Ambient and high-pressure results. United States: N. p., 2009. Web. doi:10.1103/PhysRevB.80.214105.
Ogitsu, Tadashi, Benedict, Lorin X., Schwegler, Eric, Draeger, Erik W., & Prendergast, David. First-principles calculations of solid and liquid aluminum optical absorption spectra near the melting curve: Ambient and high-pressure results. United States. doi:10.1103/PhysRevB.80.214105.
Ogitsu, Tadashi, Benedict, Lorin X., Schwegler, Eric, Draeger, Erik W., and Prendergast, David. Fri . "First-principles calculations of solid and liquid aluminum optical absorption spectra near the melting curve: Ambient and high-pressure results". United States. doi:10.1103/PhysRevB.80.214105. https://www.osti.gov/servlets/purl/1281666.
@article{osti_1281666,
title = {First-principles calculations of solid and liquid aluminum optical absorption spectra near the melting curve: Ambient and high-pressure results},
author = {Ogitsu, Tadashi and Benedict, Lorin X. and Schwegler, Eric and Draeger, Erik W. and Prendergast, David},
abstractNote = {Here, we present ab initio calculations of the linear optical conductivity of heated Al at ambient pressure and at the conditions relevant for shock melting (P~125 GPa, T~5000 K). It is shown that the visible and near-UV optical spectrum is very sensitive to the phase (fcc solid versus liquid) of Al for both P=0 and 125 GPa. The ambient-P results confirm an earlier prediction and the results of a recent experiment while the high-(P,T) results allow us to conclude that in situ measurements of optical constants should be able to diagnose the shock melting of Al.},
doi = {10.1103/PhysRevB.80.214105},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 21,
volume = 80,
place = {United States},
year = {2009},
month = {12}
}

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