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Kress, Joel D.; Horner, Daniel A.; Collins, Lee A.
Los Alamos National Laboratory (United States). Funding organisation: US Department of Energy (United States)2009
Los Alamos National Laboratory (United States). Funding organisation: US Department of Energy (United States)2009
AbstractAbstract
[en] The warm, dense matter (WDM) regime requires a sophisticated treatment since neither ideal gas laws or fully ionized plasma models apply. Mixtures represent the predominant form of matter throughout the universe and the ability to predict the properties of a mixture, though direct simulation or from convolution of the properties of the constituents is both a challenging prospect and an important goal. Through quantum molecular dynamics (QMD), we accurately simulate WDM and compute equations of state, transport, and optical properties of such materials, including mixtures, in a self-consistent manner from a single simulation. With the ability to directly compute the mixture properties, we are able to validate mixing rules for combining the optical and dynamical properties of Li and H separately to predict the properties of lithium hydride (LiH). We have examined two such mixing rules and extend them to morphologies beyond a simple liquid alloy. We have also studied a mixture of polyethylene and aluminum at T = 1 eV.
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1 Jan 2009; 5 p; APS Topical conference on Shock Compression of condensed matter; Nashville, TN (United States); 28 Jun - 3 Jul 2009; LA-UR--09-5066; AC52-06NA25396; Available from http://permalink.lanl.gov/object/tr?what=info:lanl-repo/lareport/LA-UR-09-05066; PURL: https://www.osti.gov/servlets/purl/992190-kKcDbn/
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