The quantum molecular dynamics based on the density functional theory has been adopted to simulate the equation of state for the shock compressed lithium. In contrary to some earlier experimental measurement and theor...The quantum molecular dynamics based on the density functional theory has been adopted to simulate the equation of state for the shock compressed lithium. In contrary to some earlier experimental measurement and theoretical simulation,there is not any evidence of the ‘kink＇ in the Hugoniot curve in our accurate simulation. Throughout the shock compression process, only a simple solid-to-liquid melting behavior is demonstrated, instead of complicated solid–solid phase transitions. Moreover, the x-ray absorption near-edge spectroscopy has been predicted as a feasible way to diagnose the structural evolution of warm dense lithium in this density region.展开更多
基金supported by the National Natural Science Foundation of China(Grant Nos.11474034 and 11675024)the Foundation for Development of Science and Technology of China Academy of Engineering Physics(Grant Nos.2015B0102020 and 2015B0102022)the Science Challenge Project(Grant No.TZ2016005)
文摘The quantum molecular dynamics based on the density functional theory has been adopted to simulate the equation of state for the shock compressed lithium. In contrary to some earlier experimental measurement and theoretical simulation,there is not any evidence of the ‘kink＇ in the Hugoniot curve in our accurate simulation. Throughout the shock compression process, only a simple solid-to-liquid melting behavior is demonstrated, instead of complicated solid–solid phase transitions. Moreover, the x-ray absorption near-edge spectroscopy has been predicted as a feasible way to diagnose the structural evolution of warm dense lithium in this density region.
