Density functional methods for high energy density plasmas and warm dense matter

摘要

Summary form only given. Over the last dozen years, molecular dynamics with density functional theory has emerged as a powerful and accurate first-principles framework for calculating thermodynamic and transport properties of high energy density matter and warm dense matter. Electrical conductivity models based on these calculations have enabled a new era in the modeling and simulation of high energy density physics experiments that employ high current densities to access extreme conditions. These methods are also routinely used to generate accurate wide-range equations of state that have been validated against shock and ramp-wave experiments and are an essential component of inertial confinement fusion, planetary science, and dynamic materials research. In addition to the electrical conductivity, thermal conductivity, and the equation of state, one also has access to optical properties such as the reflectivity and opacity. Most importantly, all these properties are obtained within the same theoretical framework and are manifestly consistent. In this talk I will give a brief history and overview of molecular dynamics with density functional theory and review some highlights from the application of these methods to the calculation of thermodynamic and transport properties for materials ranging from ambient to extreme conditions. I will also discuss some of the limitations and difficulties, as well as active research areas.