Phase transition and chemical decomposition of liquid carbon dioxide and nitrogen mixture under extreme conditions
Jiang Xiao-Xu1, 2, Chen Guan-Yu1, 3, Li Yu-Tong2, Cheng Xin-Lu1, †, , Tang Cui-Ming4
       

Time evolutions of the temperature, the potential energy, and the pressure of the liquid CO2–N2 mixture during the DFT-D NVT simulation at T = 2000 K and ρ = 2.20 g/cm3. The unit 1 hartree = 110.5 × 10−21 J.