MIXING RULES FOR OPTICAL AND TRANSPORT PROPERTIES OF WARM, DENSE MATTER

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, through direct simulation or from convolution of the properties of the constituents is both a challenging prospect and an important goal. Through quantum molecular dynamics, 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.