| Title | Ab initio calculated dynamic structural factors and optical properties of beryllium the |
| Authors | Li, Wei-Jie Zhou, Jie Li, Zi Zhu, Yunliang Hu, Han-Dong Ma, Hao Ma, Zhe Wang, Cong Zhang, Ping |
| Affiliation | Chinese Acad Sci, Intelligent Sci & Technol Acad Ltd, Beijing 100141, Peoples R China Sci Res Key Lab Aerosp Def Intelligent Syst & Tech, Beijing 100141, Peoples R China Inst Appl Phys & Comp Math, Beijing 100088, Peoples R China Tianfu Innovat Energy Estab, Chengdu 610213, Peoples R China Shanghai Jiao Tong Univ, Sch Aeronaut & Astronaut, Shanghai 200240, Peoples R China Sanming Univ, Sch Mech & Elect Engn, Sanming 365004, Fujian, Peoples R China Peking Univ, Ctr Appl Phys & Technol, Beijing 100871, Peoples R China |
| Issue Date | 1-Aug-2023 |
| Publisher | AIP ADVANCES |
| Abstract | Beryllium is an ablator material used in inertial-confinement fusion and hypervelocity impact studies. The thermoelastic properties, structural factors, and optical properties of beryllium are important in these studies. In this paper, the static structural factors, ion-ion dynamic structural factors, adiabatic velocity, and optical properties of beryllium along the Hugoniot were calculated by ab initio simulations. The static structural factors show that beryllium atoms were randomly distributed. The dynamic structural factors extracted the dispersion relation for collective excitation via the scattering function. By collecting the peak position of the dynamic structural factors, the dispersion relation and adiabatic sound velocity were derived by definition. Using the calculated equation of state, the thermoelastic properties and adiabatic sound velocity have been derived. The two calculated methods for adiabatic sound velocity were verified to be equivalent. |
| URI | http://hdl.handle.net/20.500.11897/690512 |
| DOI | 10.1063/5.0153547 |
| Indexed | SCI(E) |
| Appears in Collections: | 工学院 |
