Congratulations to Valentin Karasiev, principal investigator (PI), and co-PIs Suxing Hu and Samuel Trickey (University of Florida) on their recent award from the National Science Foundation (NSF) for their proposal, “Methodologically Consistent Free-Energy Density Functional Theory for Warm Dense Matter and Nonideal Plasmas.” The project, $686,056 for three years, is funded by the Division of Physics (plasma physics program) and cofunded by the Directorate for Computer and Information Science and Engineering and by the Directorate for Mathematical and Physical Sciences—three major divisions of the NSF that are committed to the progress of science, the promotion of education and discovery, workforce development, and more.
Predicting the properties of matter at extreme temperature and pressure conditions is central to gaining a deeper understanding of cosmic phenomena, plasmas, exotic planets, and processes such as inertial confinement fusion. This kind of system, also called warm dense matter, can be found in the interiors of planets and certain stars, but is extremely difficult to replicate in a laboratory setting. Standard theoretical and computational plasma physics methods and materials physics methods are frequently not transferable to warm dense matter conditions. Scientists therefore rely on ab initio molecular dynamics simulations, based on free-energy density functional theory (DFT), to model matter at these conditions. The accuracy and reliability of such simulations significantly depend on the so-called exchange-correlation (XC) free-energy density functional—the central approximation in DFT, which takes account of quantum many-body electron–electron interaction effects. This project aims to resolve a logical and methodological inconsistency of the best XC-functionals that are currently available today, but which remain inadequate in some respects. In addition, this project will:
- Substantively advance the capacity to predict the behavior of plasma and materials at extreme-condition.
- Pave routes to fusion energy technologies
- Build high-tech skills and create a knowledge-based, simulation-skilled workforce
- Foster further research on basic plasma physics and high-energy-density materials
- Support workforce development and training of doctoral and undergraduate students
This unified approach to be developed is expected to address and find solutions to current discrepancies in high-energy-density sciences and bridge the gaps in thermodynamically consistent understanding of nonideal plasmas. Learn more about this work on the NSF website.